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Sample records for single voxel spectroscopy

  1. Single voxel magnetic resonance spectroscopy in distinguishing ...

    African Journals Online (AJOL)

    Objective: Assess diagnostic utility of combined magnetic resonance imaging and magnetic resonance spectroscopy (MRI, MRS) in differentiating focal neoplastic lesions from focal non- neoplastic (infective or degenerative) brain lesions. Design: Descriptive, analytical - prospective study. Setting: The Aga Khan University ...

  2. Single Voxel Proton Spectroscopy for Neurofeedback at 7 Tesla

    OpenAIRE

    Koush, Yury; Elliott, Mark A.; Mathiak, Klaus

    2011-01-01

    Echo-planar imaging (EPI) in fMRI is regularly used to reveal BOLD activation in presubscribed regions of interest (ROI). The response is mediated by relative changes in T2* which appear as changes in the image pixel intensities. We have proposed an application of functional single-voxel proton spectroscopy (fSVPS) for real-time studies at ultra-high MR field which can be comparable to the EPI BOLD fMRI technique. A spin-echo SVPS protocol without water suppression was acquired with 310 repet...

  3. Single Voxel Proton Spectroscopy for Neurofeedback at 7 Tesla

    Directory of Open Access Journals (Sweden)

    Mark A. Elliott

    2011-09-01

    Full Text Available Echo-planar imaging (EPI in fMRI is regularly used to reveal BOLD activation in presubscribed regions of interest (ROI. The response is mediated by relative changes in T2* which appear as changes in the image pixel intensities. We have proposed an application of functional single-voxel proton spectroscopy (fSVPS for real-time studies at ultra-high MR field which can be comparable to the EPI BOLD fMRI technique. A spin-echo SVPS protocol without water suppression was acquired with 310 repetitions on a 7T Siemens MR scanner (TE/TR = 20/1000 ms, flip angle α = 90°, voxel size 10 × 10 × 10 mm3. Transmitter reference voltage was optimized for the voxel location. Spectral processing of the water signal free induction decay (FID using log-linear regression was used to estimate the T2* change between rest and activation of a functional task. The FID spectrum was filtered with a Gaussian window around the water peak, and log-linear regression was optimized for the particular ROI by adoption of the linearization length. The spectroscopic voxel was positioned on an ROI defined from a real-time fMRI EPI BOLD localizer. Additional online signal processing algorithms performed signal drift removal (exponential moving average, despiking and low-pass filtering (modified Kalman filter and, finally, the dynamic feedback signal normalization. Two functional tasks were used to estimate the sensitivity of the SVPS method compared to BOLD signal changes, namely the primary motor cortex (PMC, left hand finger tapping and visual cortex (VC, blinking checkerboard. Four healthy volunteers performed these tasks and an additional session using real-time signal feedback modulating their activation level of the PMC. Results show that single voxel spectroscopy is able to provide a good and reliable estimation of the BOLD signal changes. Small data size and FID signal processing instead of processing entire brain volumes as well as more information revealed from the

  4. Application of Single Voxel 1H Magnetic Resonance Spectroscopy in Hepatic Benign and Malignant Lesions.

    Science.gov (United States)

    Yang, Zifeng; Sun, Shiqiang; Chen, Yuanli; Li, Rui

    2016-12-19

    BACKGROUND To quantify the metabolite changes in hepatic tumors by single-voxel 1H magnetic resonance spectroscopy (MRS) at 3.0 T and explore the application value of 1HMRS in the diagnosis of hepatic benign and malignant lesions. MATERIAL AND METHODS A total of 45 patients (55 lesions) diagnosed with hepatic lesions by ultrasound and/or computer topography (CT) from November 2006 to March 2007 were included in this study. All patients underwent 3D-dynamic enhanced scan with liver acquisition with acceleration volume acquisition (LAVA) sequence and single-voxel 1HMRS imaging with PRESS (point-resolved spectroscopy) sequence. The metabolite concentrations such as choline (Cho) and lipids (Lip) were measured. RESULTS There was significant difference regarding the occurrence rate of the obvious elevated Cho peaks between benign and malignant tumors (7/27 vs. 21/28, p=0.000). There was statistical significant differences regarding the Cho/Lip ratios in hepatic benign (0.0686±0.0283, 95% CI: 0.0134-0.1245) and malignant (0.1266 ±0.1124, 95% CI: 0.0937-0.2203) lesions (pbenign and malignant lesions. Combined use of 1HMRS and MRI can greatly improve the application value of MRI assessment in the diagnosis of hepatic benign and malignant lesions with a higher sensitivity, negative predictive value, and overall accuracy.

  5. Usefulness of single voxel proton MR spectroscopy in the evaluation of hippocampal sclerosis

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Kee Hyun; Kim, Hong Dae; Park, Sun Won; Song, In Chan; Yu, In Kyu; Han, Moon Hee; Lee, Sang Kun; Chung, Chun Kee; Park, Yang Hee [Seoul National University College of Medicine, Seoul (Korea, Republic of)

    2000-03-01

    The purpose of our study was to determine the ability of H-1 MR spectroscopy (MRS) to lateralize the lesion in patients with hippocampal scleros is. Twenty healthy volunteers and 25 patients with intractable temporal lobe epilepsy whose MR imaging diagnosis was unilateral hippocampal sclerosis were included. This diagnosis was based on the presence of unilateral atrophy and/or high T2 signal intensity of the hippocampus. Singlevoxel H-1 MRS was carried out on a 1.5-T unit using PRESS sequence (TE, 136 msec). Spectra were obtained from hippocampal areas bilaterally with volumes of interest (VOIs) of 6.0 cm{sup 3} and 2.25 cm{sup 3} in healthy volunteers, and of either 6.0 c m{sup 3} (n = 14) or 2.25 cm{sup 3} (n = 11) in patients. Metabolite ratios of NAA/Cho and NAA/Cr were calculated from relative peak height measurements. The capability of MRS to lateralize the lesion and to detect bilateral abnormalities was compared with MR imaging diagnosis as a standard of reference. In healthy volunteers, NAA/Cho and NAA/Cr ratios were greater than 0.8 and 1.0, respectively. In patients, the mean values of these ratios were significantly lower on the lesion side than on the contralateral side, and lower than those of healthy volunteers (p <.05). The overall correct lateralization rate of MRS was 72% (18/25); this rate was lower with a VOI of 6.0 cm{sup 3} than of 2.25 cm{sup 3} (64% versus 82%, p <.05). Bilateral abnormalities on MRS were found in 24% (6/25) of cases. Although its rate of correct lateralization is low, single-voxel H-1 MRS is a useful and promising diagnostic tool in the evaluation of hippocampal sclerosis, particularly for the detection of bilateral abnormalities. To improve the diagnostic accuracy of H-1 MRS, further investigation, including the use of a smaller VOI and measurement of the absolute amount of metabolites, are needed.

  6. Proton MR spectroscopy in patients with pyogenic brain abscess: MR spectroscopic imaging versus single-voxel spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Shuo-Hsiu, E-mail: gerwuver@gmail.com [Department of Radiology, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); Chou, Ming-Chung, E-mail: mcchou@kmu.edu.tw [Department of Medical Imaging and Radiological Sciences, Kaohsiung Medical University, Kaohsiung, Taiwan, ROC (China); Ko, Cheng-Wen, E-mail: chengwen.ko@gmail.com [Department of Computer Science and Engineering, National Sun Yat-sen University, Kaohsiung, Taiwan, ROC (China); Hsu, Shu-Shong, E-mail: sshsu59@yahoo.com [Department of Neurosurgery, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); Lin, Huey-Shyan, E-mail: sc035@fy.edu.tw [Program of Health-Business Administration, School of Nursing, Fooyin University, Kaohsiung, Taiwan, ROC (China); Fu, Jui-Hsun, E-mail: fujuihsun@gmail.com [Department of Radiology, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); Wang, Po-Chin, E-mail: hiscore6@gmail.com [Department of Radiology, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); School of Medicine, National Yang-Ming University, Taipei, Taiwan, ROC (China); Pan, Huay-Ben, E-mail: panhb@vghks.gov.tw [Department of Radiology, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); School of Medicine, National Yang-Ming University, Taipei, Taiwan, ROC (China); Lai, Ping-Hong, E-mail: pinghonglai@gmail.com [Department of Radiology, Kaohsiung Veterans General Hospital, Kaohsiung, Taiwan, ROC (China); School of Medicine, National Yang-Ming University, Taipei, Taiwan, ROC (China)

    2013-08-15

    Purpose: Single-voxel spectroscopy (SVS) has been the gold standard technique to diagnose the pyogenic abssess. Two-dimensional magnetic resonance spectroscopic imaging (MRSI) is able to provide spatial distribution of metabolic concentration, and is potentially more suitable for differential diagnosis between abscess and necrotic tumors. Therefore, the purpose of this study was to evaluate the equivalence of MRSI and SVS in the detection of the metabolites in pyogenic brain abscesses. Materials and methods: Forty-two patients with pyogenic abscesses were studied by using both SVS and MRSI methods. Two neuroradiologists reviewed the MRS data independently. A κ value was calculated to express inter-reader agreement of the abscesses metabolites, and a correlation coefficient was calculated to show the similarity of two spectra. After consensus judgment of two readers, the binary value of metabolites of pyogenic abscesses (presence or absence) was compared between SVS and MRSI. Results: The consistency of spectral interpretation of the two readers was very good (κ ranged from 0.95 to 1), and the similarity of two spectra was also very high (cc = 0.9 ± 0.05). After consensus judgment of two readers, the sensitivities of MRSI ranged from 91% (acetate) to 100% (amino acids, succinate, lactate, lipid), and the specificities of MRSI were 100% for detecting all metabolites with SVS as reference. Conclusion: SVS and MRSI provide similar metabolites in the cavity of pyogenic brain abscess. With additional metabolic information of cavity wall and contralateral normal-appearing brain tissue, MRSI would be a more suitable technique to differentiate abscesses from necrotic tumors.

  7. Motion Correction of Single-Voxel Spectroscopy by Independent Component Analysis Applied to Spectra From Nonanesthetized Pediatric Subjects

    DEFF Research Database (Denmark)

    de Nijs, Robin; Miranda, Maria J.; Hansen, Lars Kai

    2009-01-01

    For single-voxel spectroscopy, the acquisition of the spectrum is typically repeated n times and then combined with a factor in order to improve the signal-to-noise ratio. In practice, the acquisitions are not only affected by random noise but also by physiologic motion and subject movements. Since...... the influence of physiologic motion such as cardiac and respiratory motion on the data is limited, it can be compensated for without data loss. Individual acquisitions hampered by subject movements, on the other hand, need to be rejected if no correction or compensation is possible. If the individual...

  8. Localized single voxel 1H MR spectroscopy toward routine clinical use

    International Nuclear Information System (INIS)

    Lee, Jung Hee; Choi, Choong Gon; Kim, Sang Tae; Kim, Jin Suh; Mun, Chi Woong; Suh, Dae Chul; Lim, Tae Hwan; Auh, Young Ho

    1996-01-01

    To evaluate the automated 1 H magnetic resonance spectroscopy ( 1 H-MRS) method for a routine clinical use, various regions of the normal human brain were examined for regional variations, the reproducibility, and the quality control of the spectral data. Localized 1 H-MRS was performed in a GE 1.5T SIGNA MRI/MRS system using the automated method (PROton Brain Exam:PROBE). Six regions of the human brain from normal volunteers (N=25, age=23-65) were examined: Occipital gray matter, parietal white matter, frontal white matter, pons, cerebellum, and basal ganglia region. STEAM was used as the localization method with the following parameters : TE=30 msec, TR=3.0 sec, AVG=48 AVG, NEX=2, Spectral Width (SW)=2500 Hz, Size (SI)=2048 points (2K), and the size of voxel=7-9 ml. The reproducibility and the quality control of the spectral data were evaluated. For the 6 regions, the regional variation by the spectral patterns and the metabolites ratios relative to creatine was well demonstrated. Rates of the auto prescan success and the percentages of obtaining the acceptable quality spectral were high in the parietal white matter, occipital gray matter, and basal ganglia regions, and low in the frontal white matter and pons regions. PROBE is a highly practical as well as reliable method to produce reproducible quality spectra that represent the regional metabolic exam or as an additional series to a routine brain MRI exam, which takes less than 10 minutes for acquisition of one spectrum. In order to obtain good quality spectra, a good quality control scheme of the MR instrument is mandatory

  9. Assessment of Intervertebral Disc Degeneration With Magnetic Resonance Single-Voxel Spectroscopy

    Science.gov (United States)

    Zuo, Jin; Saadat, Ehsan; Romero, Adan; Loo, Kimberly; Li, Xiaojuan; Link, Thomas M.; Kurhanewicz, John; Majumdar, Sharmila

    2014-01-01

    This study examined the feasibility of using short-echo water-suppressed point-resolved spectroscopy (PRESS) on a clinical 3T magnetic resonance (MR) scanner for evaluating biochemical changes in degenerated bovine and cadaveric human inter-vertebral discs. In bovine discs (N = 17), degeneration was induced with papain injections. Degeneration of human cadaveric discs (N = 27) was assessed using the Pfirrmann grading on T2-weighted images. Chemicals in the carbohydrate region (Carb), the choline head group (Cho), the N-acetyl region (N-acetyl), and the lipid and lactate region (Lac+Lip) were quantified using 1H PRESS, and were compared between specimens with different degrees of degeneration. The correlation between the spectroscopic findings and glycosaminoglycan (GAG) quantification using biochemical assays was determined. Significant differences were found between the ratios (N-acetyl/Cho, N-acetyl/Lac+Lip) acquired before and after papain injection in bovine discs. For human cadaveric discs, significant differences in the ratios (N-acetyl/Carb, N-acetyl/Lac+Lip) were found between discs having high and low Pfirrmann scores. Significant correlations were found between N-acetyl/Lac+Lip and GAG content in bovine discs (R = 0.77, P = 0.0007) and cadaveric discs (R = 0.83, P < 0.0001). Significant correlation between N-acetyl/Cho and GAG content was also found in cadaver discs (R = 0.64, P = 0.0039). This study demonstrates for the first time that short-echo PRESS on a clinical 3T MR scanner can be used to noninvasively and can reproducibly quantify metabolic changes associated with degeneration of intervertebral discs. PMID:19780173

  10. Correction: Koush, Y.; Elliott, M.A. and Mathiak, K. Single Voxel Proton Spectroscopy for Neurofeedback at 7 Tesla. Materials 2011, 4, 1548–1563

    Directory of Open Access Journals (Sweden)

    Yury Koush

    2011-11-01

    Full Text Available In the published manuscript “Koush, Y.; Elliott, M.A. and Mathiak, K. Single Voxel Proton Spectroscopy for Neurofeedback at 7 Tesla. Materials 2011, 4, 1548-1563”, all estimates of T2* from the single voxel spectroscopy data were overestimated by a factor of 4. This was due to an incorrectly assumed four-fold lower sampling rate. The focus of the manuscript is on the relative changes in T2* with BOLD activation, and not on the absolute values. Therefore, none of the central claims are affected, but the scaling in most of the figures needs to be adjusted. The authors would like to make the following corrections to their published paper.

  11. Initial study of optimal single-voxel 1H-MR spectroscopy parameters on femoral bone marrow

    International Nuclear Information System (INIS)

    Gao Zhenhua; Meng Quanfei; Zhou Chunxiang; Lin Erjian; Deng Demao

    2007-01-01

    Objective: To choose proper proton magnetic resonance spectroscopy ( 1 H-MRS) parameters to fit for practical femoral marrow cavity and to produce short-timed, well-repeated and excellent 1 H-MRS images. Methods: The tentative study of 1 H-MRS on the normal femoral bone marrow in 26 volunteers was performed with a 1.5 T MR after the informed consent. The single-voxel spectroscopy and stimulated echo acquisition mode were used for 1 H-MRS collection. 1 H-MRS parameters for 12 volunteers were 128 acquisitions, 1 cm x 1 cm x 1 cm volume of interest (VOI) size and repeatedly 2-3 times within the same location. 1 H-MRS parameters for another 14 volunteers were different numbers of acquisition (128 and 256 times, respectively) and different VOl sizes (2 cm x2 cm x2 cm and 1 cm x 1 cm x 1 cm, respectively). Results: For 1 H-MRS with 1 cm x 1 cm x 1 cm size of VOI and 128 times of acquisition with the full width half max of water ≤8-12 Hz, the base-line was steady and the signal-noise ratio was high up to 11.31. 1 H-MRS was different in the different femoral locations showing the maximum peak sites at near 0.90 ppm( x 10 -6 ) or 1.65 ppm, but 1 H-MRS within the same location was always same or similar with different VOI sizes (1 cm x 1 cm x 1 cm or 2 cm x 2 cm x 2 cm) or different numbers of acquisition(128 or 256 times). 1 H-MRS acquisition time was not related with the size of VOI but with the numbers of acquisition. 128 and 256 times of acquisition cost 199 s and 391 s, respectively. Conclusion: With the technique of small size of VOI(1 cm x 1 cm x 1 cm) and decreased numbers of acquisition (128 times), it is propable to get well-repeated and excellent 1 H-MRS within less time. It is also more practical for clinics to achieve 1 H-MRS of the femoral marrow with the proper technique. (authors)

  12. In vivo single-voxel proton MR spectroscopy in the differentiation of high-grade gliomas and solitary metastases

    International Nuclear Information System (INIS)

    Fan, G.; Sun, B.; Wu, Z.; Guo, Q.; Guo, Y.

    2004-01-01

    AIM: To determine whether single-voxel proton magnetic resonance spectroscopy (1HMRS) could be used to differentiate gliomas from metastases on the basis of differences in metabolite levels in the different involved regions. MATERIALS AND METHODS: Twenty-two patients (age range from 32 to 62 years, with a median age of 46.7 years) with a solitary brain tumour (14 gliomas, eight metastases) underwent conventional, gadolinium-DTPA enhanced T1-weighted images, and 1HMRS before surgical resection. Spectra from the enhancing tumour, the peritumoural region, and normal brain were obtained from 1HMRS. A point resolved spectroscopy sequence was required for 1HMRS. The metabolites in the spectra include: N-acetylaspartate (NAA), choline (CHO), creatine compounds (CR), myo-inositol (MI), lactate (LAC), glutamate and glutamine (Glu-n). Relative concentrations of metabolites were related to the peak area, and expressed with reference to CR. Student's t-test was used to determine whether there was a statistically significant difference in relative metabolic ratios between high-grade gliomas and metastases. Meanwhile, 16 of all 22 patients were re-examined using magnetic resonance imaging (MRI) within 6 months of surgical resection. Recurrence was present in three patients (two gliomas, one metastasis). RESULTS: Of the 14 patients with gliomas, the peaks of NAA were reduced in three cases; the peaks of LAC, which were elevated, appeared as typical double-peaks in the peritumoural region in nine cases; the peaks of Glu-n, which were also elevated, had a zigzag appearance in seven cases. The peaks of MI were increased in the tumoural region in eight cases, and CHO levels were elevated in all 14 cases. Of the eight patients with metastases, Glu-n peaks in the tumoural region in three cases and CHO peaks in the tumoural region in four cases were elevated, respectively, while the peaks of CR were reduced in three cases, and the peaks of NAA were markedly reduced in four cases within

  13. Quantification of early fatty infiltration of the rotator cuff muscles: comparison of multi-echo Dixon with single-voxel MR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Agten, Christoph A.; Rosskopf, Andrea B.; Pfirrmann, Christian W.A. [Balgrist University Hospital, Radiology, Zurich (Switzerland); University of Zurich, Faculty of Medicine, Zurich (Switzerland); Gerber, Christian [Balgrist University Hospital, Orthopaedic Surgery, Zurich (Switzerland); University of Zurich, Faculty of Medicine, Zurich (Switzerland)

    2016-10-15

    To evaluate quantification of early fatty infiltration in supraspinatus muscles with magnetic resonance (MR) imaging using a T2*-corrected multi-echo 3D-gradient-echo Dixon-based sequence (multi-echo Dixon) and compare it to proton-MR-spectroscopy. Sixty subjects (mean age 46 years, 41 men) with good supraspinatus muscle quality on 1.5 T MR imaging were included. Fat percentage (FP) in the supraspinatus muscle was quantified using a multi-echo Dixon compared to single-voxel MR spectroscopy as reference standard. In 18 subjects the multi-echo Dixon was repeated to assess test-retest reliability. Measurements based on multi-echo Dixon were performed by two independent readers by placing regions-of-interest (ROIs) in the supraspinatus muscle corresponding to the MR-spectroscopy voxel. Intraclass and concordance correlation coefficients (ICC/CCC) were used for statistical analysis. Test-retest reliability was substantial for reader 1 (ICC = 0.757) and almost perfect for reader 2 (ICC = 0.873). Inter-reader reliability for multi-echo Dixon was almost perfect (ICC = 0.893, P <.0005). Mean FP in all 60 subjects with multi-echo Dixon was 3.5 ± 1.6 for reader 1, 3.7 ± 1.8 for reader 2, and 2.8 ± 1.4 with MR spectroscopy. Correlation between multi-echo Dixon and MR spectroscopy was moderate (CCC = 0.641). The multi-echo Dixon sequence is a reliable method and comparable to MR-spectroscopy for quantification of low levels of fatty infiltration in the supraspinatus muscle. (orig.)

  14. Hippocampal and neocortical metabolite ratio in patients with complex partial seizure: short TE and long TE techniques using single voxel proton MR spectroscopy

    International Nuclear Information System (INIS)

    Chung, Jin Il; Kim, Dong Ik; Lee, Byung In; Lee, Seung Ik; Yoon, Pyeong Ho

    2000-01-01

    To compare hippocampal and neocortical metabolite ratios using single-voxel proton MR spectroscopy with different echo times in patients with complex partial seizure. Using a GE Signa 1.5T scanner with STEAM and PRESS sequences, automated single voxel proton MRS was used to determine metabolite ratio differences in the hippocampus and neocortex of nine complex partial seizure patients (mesial temporal sclerosis (n=3D5), status epilepticus (n=3D1), tumor (n=3D1), cortical dysplasia (n=3D1), occipital lobe epilepsy (n=3D1)). A total of 20 examinations were performed in the region of the hippocampus (n=3D17), temporal neocortex (n=3D1), and parieto-occipital gray matter (n=3D1). Voxel size range was 5.2-17.4 cm 3 . The calculated creatine (Cr) peak was employed as an internal reference and the relative ratio of N-acetylaspartate (NAA) and choline (Cho) was calculated for both short and long echo times using an automated PROBE/SV (GE Medical Systems) package. Each NAA/Cho ratio obtained using both PRESS and STEAM techniques was compared by means of statistical analysis (paired Student t-test). Using PRESS (long TE, 272 ms), NAA/Cho ratios were successfully calculated in 16 of 20 examinations; in four this was not possible due to noise levels of the Cr and Cho peaks. Using STEAM (short TE, 30 ms) NAA/Cho ratios were successfully calculated in 19 of 20 examinations; in one, the Cho peak could not be measured. Using PRESS and STEAM, mean and standard deviations for the NAA/Cho ratio were 1.22±0.50 and 1.16±0.36, respectively. There were no statistically significant differences in this ratio between the short and long TE method (p less than 0.01). In complex partial seizure patients, no significant metabolite differences were found between short and long echo times of single voxel proton MR spectroscopy. The metabolite ratio at different echo times can be reliably obtained using this simplified and automated PROBE/SV quantitation method. (author)

  15. Hippocampal and neocortical metabolite ratio in patients with complex partial seizure: short TE and long TE techniques using single voxel proton MR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Jin Il; Kim, Dong Ik; Lee, Byung In; Lee, Seung Ik; Yoon, Pyeong Ho [Medical College, Yonsei University, Seoul (Korea, Republic of)

    2000-08-01

    To compare hippocampal and neocortical metabolite ratios using single-voxel proton MR spectroscopy with different echo times in patients with complex partial seizure. Using a GE Signa 1.5T scanner with STEAM and PRESS sequences, automated single voxel proton MRS was used to determine metabolite ratio differences in the hippocampus and neocortex of nine complex partial seizure patients (mesial temporal sclerosis (n=3D5), status epilepticus (n=3D1), tumor (n=3D1), cortical dysplasia (n=3D1), occipital lobe epilepsy (n=3D1)). A total of 20 examinations were performed in the region of the hippocampus (n=3D17), temporal neocortex (n=3D1), and parieto-occipital gray matter (n=3D1). Voxel size range was 5.2-17.4 cm{sup 3}. The calculated creatine (Cr) peak was employed as an internal reference and the relative ratio of N-acetylaspartate (NAA) and choline (Cho) was calculated for both short and long echo times using an automated PROBE/SV (GE Medical Systems) package. Each NAA/Cho ratio obtained using both PRESS and STEAM techniques was compared by means of statistical analysis (paired Student t-test). Using PRESS (long TE, 272 ms), NAA/Cho ratios were successfully calculated in 16 of 20 examinations; in four this was not possible due to noise levels of the Cr and Cho peaks. Using STEAM (short TE, 30 ms) NAA/Cho ratios were successfully calculated in 19 of 20 examinations; in one, the Cho peak could not be measured. Using PRESS and STEAM, mean and standard deviations for the NAA/Cho ratio were 1.22{+-}0.50 and 1.16{+-}0.36, respectively. There were no statistically significant differences in this ratio between the short and long TE method (p less than 0.01). In complex partial seizure patients, no significant metabolite differences were found between short and long echo times of single voxel proton MR spectroscopy. The metabolite ratio at different echo times can be reliably obtained using this simplified and automated PROBE/SV quantitation method. (author)

  16. Evaluation of intracranial neoplasia and noninfectious meningoencephalitis in dogs by use of short echo time, single voxel proton magnetic resonance spectroscopy at 3.0 Tesla.

    Science.gov (United States)

    Carrera, Inés; Richter, Henning; Beckmann, Katrin; Meier, Dieter; Dennler, Matthias; Kircher, Patrick R

    2016-05-01

    OBJECTIVE To investigate metabolite concentrations of the brains of dogs with intracranial neoplasia or noninfectious meningoencephalitis by use of short echo time, single voxel proton magnetic resonance spectroscopy ((1)H MRS) at 3.0 T. ANIMALS 29 dogs with intracranial lesions (14 with neoplasia [3 oligodendromas, 3 glioblastomas multiformes, 3 astrocytomas, 2 lymphomas, and 3 meningiomas] and 15 is with noninfectious meningoencephalitis) and 10 healthy control dogs. PROCEDURES Short echo time, single voxel (1)H-MRS at 3.0 T was performed on neoplastic and noninfectious inflammatory intracranial lesions identified with conventional MRI. Metabolites of interest included N-acetyl aspartate (NAA), total choline, creatine, myoinositol, the glutamine-glutamate complex (Glx), glutathione, taurine, lactate, and lipids. Data were analyzed with postprocessing fitting algorithm software. Metabolite concentrations relative to brain water content were calculated and compared with results for the healthy control dogs, which had been previously evaluated with the same (1)H MRS technique. RESULTS NAA, creatine, and Glx concentrations were reduced in the brains of dogs with neoplasia and noninfectious meningoencephalitis, whereas choline concentration was increased. Concentrations of these metabolites differed significantly between dogs with neoplasia and dogs with noninfectious meningoencephalitis. Concentrations of NAA, creatine, and Glx were significantly lower in dogs with neoplasia, whereas the concentration of choline was significantly higher in dogs with neoplasia. Lipids were predominantly found in dogs with high-grade intra-axial neoplasia, meningioma, and necrotizing meningoencephalitis. A high concentration of taurine was found in 10 of 15 dogs with noninfectious meningoencephalitis. CONCLUSIONS AND CLINICAL RELEVANCE (1)H MRS provided additional metabolic information about intracranial neoplasia and noninfectious meningoencephalitis in dogs.

  17. Comparative MR study of hepatic fat quantification using single-voxel proton spectroscopy, two-point dixon and three-point IDEAL.

    Science.gov (United States)

    Kim, Hyeonjin; Taksali, Sara E; Dufour, Sylvie; Befroy, Douglas; Goodman, T Robin; Petersen, Kitt Falk; Shulman, Gerald I; Caprio, Sonia; Constable, R Todd

    2008-03-01

    Hepatic fat fraction (HFF) was measured in 28 lean/obese humans by single-voxel proton spectroscopy (MRS), a two-point Dixon (2PD), and a three-point iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL) method (3PI). For the lean, obese, and total subject groups, the range of HFF measured by MRS was 0.3-3.5% (1.1 +/- 1.4%), 0.3-41.5% (11.7 +/- 12.1), and 0.3-41.5% (10.1 +/- 11.6%), respectively. For the same groups, the HFF measured by 2PD was -6.3-2.2% (-2.0 +/- 3.7%), -2.4-42.9% (12.9 +/- 13.8%), and -6.3-42.9% (10.5 +/- 13.7%), respectively, and for 3PI they were 7.9-12.8% (10.1 +/- 2.0%), 11.1-49.3% (22.0 +/- 12.2%), and 7.9-49.3% (20.0 +/- 11.8%), respectively. The HFF measured by MRS was highly correlated with those measured by 2PD (r = 0.954, P fatty liver with the MRI methods ranged from 68-93% for 2PD and 64-89% for 3PI. Our study demonstrates that the apparent HFF measured by the MRI methods can significantly vary depending on the choice of water-fat separation methods and sequences. Such variability may limit the clinical application of the MRI methods, particularly when a diagnosis of early fatty liver needs to be performed. Therefore, protocol-specific establishment of cutoffs for liver fat content may be necessary. (c) 2008 Wiley-Liss, Inc.

  18. A Comparative MR Study of Hepatic Fat Quantification Using Single-voxel Proton Spectroscopy, Two-point Dixon and Three-point IDEAL

    Science.gov (United States)

    Kim, Hyeonjin; Taksali, Sara E.; Dufour, Sylvie; Befroy, Douglas; Goodman, T. Robin; Petersen, Kitt Falk; Shulman, Gerald I.; Caprio, Sonia; Constable, R. Todd

    2009-01-01

    Hepatic fat fraction (HFF) was measured in 28 lean/obese humans by single-voxel proton spectroscopy (MRS), a two-point Dixon (2PD) and a three-point iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL) method (3PI). For the lean, obese and total subject groups, the range of HFF measured by MRS was 0.3–3.5% (1.1±1.4%), 0.3–41.5% (11.7±12.1), and 0.3–41.5% (10.1±11.6%), respectively For the same groups, the HFF measured by 2PD was −6.3–2.2% (−2.0±3.7%), −2.4–42.9% (12.9±13.8%), and −6.3–42.9% (10.5±13.7%), respectively, and for 3PI they were 7.9–12.8% (10.1±2.0%), 11.1–49.3% (22.0±12.2%), and 7.9–49.3% (20.0±11.8%), respectively. The HFF measured by MRS was highly correlated with those measured by 2PD (r=0.954, pfatty liver with the MRI methods ranged 75–93% for 2PI and 79–89% for 3PI. Our study demonstrates that the apparent HFF measured by the MRI methods can significantly vary depending on the choice of water-fat separation methods and sequences. Such variability may limit the clinical application of the MRI methods, particularly when a diagnosis of early fatty liver needs to be performed. Therefore, protocol-specific establishment of cutoffs for liver fat content may be necessary. PMID:18306404

  19. Non-invasive quantification of hepatic steatosis in living, related liver donors using dual-echo Dixon imaging and single-voxel proton spectroscopy

    International Nuclear Information System (INIS)

    Krishan, S.; Jain, D.; Bathina, Y.; Kale, A.; Saraf, N.; Saigal, S.; Choudhary, N.; Baijal, S.S.; Soin, A.

    2016-01-01

    Aim: To evaluate the diagnostic implications of hepatic fat fraction calculated using dual-echo Dixon imaging and "1H magnetic resonance spectroscopy (MRS) to detect hepatic steatosis in potential liver donors using histopathology as the reference standard. Materials and methods: One hundred and forty-five potential liver donors were included in the study. Magnetic resonance imaging (MRI) was performed using a 1.5 T system using a three-dimensional dual-echo MRI sequence with automated reconstruction of in-phase (IP), out-of-phase (OP), fat-signal-only, and water-signal-only images. Hepatic fat fraction was calculated by drawing 15 regions of interest on the IP, OP, fat-only, and water-only images. Single-voxel MRS was performed at echo times (TEs) of 30 ms in the right and left lobes of liver. Liver fat fraction was calculated from water and fat peaks. One hundred and forty-five biopsies were prospectively evaluated for steatosis by a pathologist using traditional determination of the cell-count fraction. MRI and pathology values of steatosis were correlated using Pearson's correlation coefficient. The sensitivity and specificity of each of these methods was calculated using histopathology as the reference standard. Reproducibility was assessed in 40 patients who had repeat scanning within 4–40 days. Measurement error was calculated from the coefficient of variation (CoV) with histopathologically proven <5% fat (n=112). Results: The Bland–Altman limits of agreement with 95% confidence intervals (CI) was –2.9 to 5.3%. The intraclass correlation coefficient (ICC) for interobserver variability and reproducibility was 0.94 (95% CI: 0.91–0.97), 0.92 (95% CI: 0.91–0.97). The CoV was 7.6% (95% CI: 3.4–11.85). The area under the receiver operating characteristic (ROC) curve (AUC) for Dixon imaging 0.89 (95% CI: 0.87–0.91), for MRS 0.88 (95% CI: 0.86–0.90). The sensitivity for detecting <5% fat was 84% and specificity was 90%. Conclusion: Combination of

  20. Multimodal MRI in the characterization of glial neoplasms: the combined role of single-voxel MR spectroscopy, diffusion imaging and echo-planar perfusion imaging

    International Nuclear Information System (INIS)

    Zonari, Paolo; Baraldi, Patrizia; Crisi, Girolamo

    2007-01-01

    Diffusion-weighted imaging (DWI), perfusion-weighted imaging (PWI) and MR spectroscopy (MRS) provide useful data for tumor evaluation. To assess the contribution of these multimodal techniques in grading glial neoplasms, we compared the value of DWI, PWI and MRS in the evaluation of histologically proven high- and low-grade gliomas in a population of 105 patients. Independently for each modality, the following variables were used to compare the tumors: minimum apparent diffusion coefficient (ADC) and maximum relative cerebral blood volume (rCBV) normalized values between tumor and healthy tissue, maximum Cho/Cr ratio and minimum NAA/Cr ratio in tumor, and scored lactate and lipid values in tumor. The Mann-Whitney and Wilcoxon tests were employed to compare DWI, PWI and MRS between tumor types. Logistic regression analysis was used to determine which parameters best increased the diagnostic accuracy in terms of sensitivity, specificity, and positive and negative predictive values. ROC curves were determined for parameters with high sensitivity and specificity to identify threshold values to separate high- from low-grade lesions. Statistically significant differences were found for rCBV tumor/normal tissue ratio, and NAA/Cr ratio in tumor and Cho/Cr ratio in tumor between low- and high-grade tumors. The best performing single parameter for group classification was the normalized rCBV value; including all parameters, statistical significance was reached by rCBV tumor/normal tissue ratio, NAA/Cr tumor ratio and lactate. From the ROC curves, a high probability for a neoplasm to be a high-grade lesion was associated with a rCBV tumor/normal tissue ratio of >1.16 and NAA/Cr tumor ratio of <0.44. Combining PWI and MRS with conventional MR imaging increases the accuracy of the attribution of malignancy to glial neoplasms. The best performing parameter was found to be the perfusion level. (orig.)

  1. Single voxel magnetic resonance spectroscopy at 3 Tesla in a memory disorders clinic: early right hippocampal NAA/Cr loss in mildly impaired subjects.

    Science.gov (United States)

    Caserta, Maria T; Ragin, Ann; Hermida, Adriana P; Ahrens, R John; Wise, Leon

    2008-11-30

    In this study, we use magnetic resonance spectroscopy (MRS) at 3 Tesla to measure N-acetyl aspartate (NAA), myo-inositol (mI) and choline (Cho) to creatine (Cr) ratios in R (right) and L (left) hippocampi (H) in 8 mildly memory impaired (MMI), 6 probable Alzheimer's Disease (PRAD), and 17 control subjects. NAA/Cr was significantly reduced in the RH in the MMI group and bilaterally in the PRAD group vs. controls. No other metabolite differences were noted between the three groups. Five MMI subjects have converted to PRAD in follow-up. These findings suggest that RH NAA/Cr ratios measured at 3 Tesla may be a sensitive marker of future progression to dementia in a clinically defined population with isolated memory complaints.

  2. Hitchhiker'S Guide to Voxel Segmentation for Partial Volume Correction of in Vivo Magnetic Resonance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Scott Quadrelli

    2016-01-01

    Full Text Available Partial volume effects have the potential to cause inaccuracies when quantifying metabolites using proton magnetic resonance spectroscopy (MRS. In order to correct for cerebrospinal fluid content, a spectroscopic voxel needs to be segmented according to different tissue contents. This article aims to detail how automated partial volume segmentation can be undertaken and provides a software framework for researchers to develop their own tools. While many studies have detailed the impact of partial volume correction on proton magnetic resonance spectroscopy quantification, there is a paucity of literature explaining how voxel segmentation can be achieved using freely available neuroimaging packages.

  3. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 2. Single-Molecule Spectroscopy: Every Molecule is Different! Kankan Bhattacharyya. General Article Volume 20 Issue 2 February 2015 pp 151-164. Fulltext. Click here to view fulltext PDF. Permanent link:

  4. Voxel-based Monte Carlo simulation of X-ray imaging and spectroscopy experiments

    International Nuclear Information System (INIS)

    Bottigli, U.; Brunetti, A.; Golosio, B.; Oliva, P.; Stumbo, S.; Vincze, L.; Randaccio, P.; Bleuet, P.; Simionovici, A.; Somogyi, A.

    2004-01-01

    A Monte Carlo code for the simulation of X-ray imaging and spectroscopy experiments in heterogeneous samples is presented. The energy spectrum, polarization and profile of the incident beam can be defined so that X-ray tube systems as well as synchrotron sources can be simulated. The sample is modeled as a 3D regular grid. The chemical composition and density is given at each point of the grid. Photoelectric absorption, fluorescent emission, elastic and inelastic scattering are included in the simulation. The core of the simulation is a fast routine for the calculation of the path lengths of the photon trajectory intersections with the grid voxels. The voxel representation is particularly useful for samples that cannot be well described by a small set of polyhedra. This is the case of most naturally occurring samples. In such cases, voxel-based simulations are much less expensive in terms of computational cost than simulations on a polygonal representation. The efficient scheme used for calculating the path lengths in the voxels and the use of variance reduction techniques make the code suitable for the detailed simulation of complex experiments on generic samples in a relatively short time. Examples of applications to X-ray imaging and spectroscopy experiments are discussed

  5. Voxel-based Monte Carlo simulation of X-ray imaging and spectroscopy experiments

    Energy Technology Data Exchange (ETDEWEB)

    Bottigli, U. [Istituto di Matematica e Fisica dell' Universita di Sassari, via Vienna 2, 07100, Sassari (Italy); Sezione INFN di Cagliari (Italy); Brunetti, A. [Istituto di Matematica e Fisica dell' Universita di Sassari, via Vienna 2, 07100, Sassari (Italy); Golosio, B. [Istituto di Matematica e Fisica dell' Universita di Sassari, via Vienna 2, 07100, Sassari (Italy) and Sezione INFN di Cagliari (Italy)]. E-mail: golosio@uniss.it; Oliva, P. [Istituto di Matematica e Fisica dell' Universita di Sassari, via Vienna 2, 07100, Sassari (Italy); Stumbo, S. [Istituto di Matematica e Fisica dell' Universita di Sassari, via Vienna 2, 07100, Sassari (Italy); Vincze, L. [Department of Chemistry, University of Antwerp (Belgium); Randaccio, P. [Dipartimento di Fisica dell' Universita di Cagliari and Sezione INFN di Cagliari (Italy); Bleuet, P. [European Synchrotron Radiation Facility, Grenoble (France); Simionovici, A. [European Synchrotron Radiation Facility, Grenoble (France); Somogyi, A. [European Synchrotron Radiation Facility, Grenoble (France)

    2004-10-08

    A Monte Carlo code for the simulation of X-ray imaging and spectroscopy experiments in heterogeneous samples is presented. The energy spectrum, polarization and profile of the incident beam can be defined so that X-ray tube systems as well as synchrotron sources can be simulated. The sample is modeled as a 3D regular grid. The chemical composition and density is given at each point of the grid. Photoelectric absorption, fluorescent emission, elastic and inelastic scattering are included in the simulation. The core of the simulation is a fast routine for the calculation of the path lengths of the photon trajectory intersections with the grid voxels. The voxel representation is particularly useful for samples that cannot be well described by a small set of polyhedra. This is the case of most naturally occurring samples. In such cases, voxel-based simulations are much less expensive in terms of computational cost than simulations on a polygonal representation. The efficient scheme used for calculating the path lengths in the voxels and the use of variance reduction techniques make the code suitable for the detailed simulation of complex experiments on generic samples in a relatively short time. Examples of applications to X-ray imaging and spectroscopy experiments are discussed.

  6. A multicenter reproducibility study of single-voxel {sup 1}H-MRS of the medial temporal lobe

    Energy Technology Data Exchange (ETDEWEB)

    Traeber, Frank; Block, Wolfgang; Guer, Okan; Schild, Hans H. [University of Bonn, Department of Radiology, Bonn (Germany); Freymann, Nikolaus; Heun, Reinhard; Jessen, Frank [University of Bonn, Department of Psychiatry, Bonn (Germany); Kucinski, Thomas [University of Hamburg, Department of Neuroradiology, Hamburg (Germany); Hammen, Thilo [University of Erlangen, Department of Psychiatry, Erlangen (Germany); Ende, Gabriele [Central Institute of Mental Health, NMR Research in Psychiatry, Mannheim (Germany); Pilatus, Ulrich [University of Frankfurt, Department of Neuroradiology, Frankfurt (Germany); Hampel, Harald [University of Munich, Department of Psychiatry, Munich (Germany)

    2006-05-15

    Proton magnetic resonance spectroscopy ({sup 1}H-MRS) has provided evidence for a reduction of N-acetyl-aspartate (NAA) in the medial temporal lobe (MTL) in cerebral disorders such as Alzheimer's Disease. Within the {sup 1}H-MRS study of the German Research Network on Dementia, we determined the multicenter reproducibility of single-voxel {sup 1}H-MRS of the MTL. At five sites with 1.5T MR systems, single-voxel {sup 1}H spectra from the MTL of an identical healthy subject were measured. The same subject was also examined at one of the sites five times to assess intracenter stability. The protocol included water-suppressed spectra with TE 272 ms and TE 30 ms and unsuppressed spectra for absolute quantification of metabolite concentrations. The intracenter reproducibility of absolute NAA concentration, expressed as coefficient of variation (CV), was 1.8%. CV for the concentrations of creatine (Cr), choline (Cho), and myoinositol (MI) and for the ratios NAA/Cr, NAA/Cho, and MI/NAA varied by 11-16%. Intercenter CV was 3.9% for NAA and were below 10% for all other metabolites and metabolic ratios. Our study demonstrates that quantitative assessment of NAA with single-voxel MRS can be performed with high intercenter reproducibility. This is the basis for applying {sup 1}H-MRS in large-scale early recognition and treatment studies in MTL affecting disorders. (orig.)

  7. A multicenter reproducibility study of single-voxel 1H-MRS of the medial temporal lobe

    International Nuclear Information System (INIS)

    Traeber, Frank; Block, Wolfgang; Guer, Okan; Schild, Hans H.; Freymann, Nikolaus; Heun, Reinhard; Jessen, Frank; Kucinski, Thomas; Hammen, Thilo; Ende, Gabriele; Pilatus, Ulrich; Hampel, Harald

    2006-01-01

    Proton magnetic resonance spectroscopy ( 1 H-MRS) has provided evidence for a reduction of N-acetyl-aspartate (NAA) in the medial temporal lobe (MTL) in cerebral disorders such as Alzheimer's Disease. Within the 1 H-MRS study of the German Research Network on Dementia, we determined the multicenter reproducibility of single-voxel 1 H-MRS of the MTL. At five sites with 1.5T MR systems, single-voxel 1 H spectra from the MTL of an identical healthy subject were measured. The same subject was also examined at one of the sites five times to assess intracenter stability. The protocol included water-suppressed spectra with TE 272 ms and TE 30 ms and unsuppressed spectra for absolute quantification of metabolite concentrations. The intracenter reproducibility of absolute NAA concentration, expressed as coefficient of variation (CV), was 1.8%. CV for the concentrations of creatine (Cr), choline (Cho), and myoinositol (MI) and for the ratios NAA/Cr, NAA/Cho, and MI/NAA varied by 11-16%. Intercenter CV was 3.9% for NAA and were below 10% for all other metabolites and metabolic ratios. Our study demonstrates that quantitative assessment of NAA with single-voxel MRS can be performed with high intercenter reproducibility. This is the basis for applying 1 H-MRS in large-scale early recognition and treatment studies in MTL affecting disorders. (orig.)

  8. Voxel-based measurement sensitivity of spatially resolved near-infrared spectroscopy in layered tissues.

    Science.gov (United States)

    Niwayama, Masatsugu

    2018-03-01

    We quantitatively investigated the measurement sensitivity of spatially resolved spectroscopy (SRS) across six tissue models: cerebral tissue, a small animal brain, the forehead of a fetus, an adult brain, forearm muscle, and thigh muscle. The optical path length in the voxel of the model was analyzed using Monte Carlo simulations. It was found that the measurement sensitivity can be represented as the product of the change in the absorption coefficient and the difference in optical path length in two states with different source-detector distances. The results clarified the sensitivity ratio between the surface layer and the deep layer at each source-detector distance for each model and identified changes in the deep measurement area when one of the detectors was close to the light source. A comparison was made with the results from continuous-wave spectroscopy. The study also identified measurement challenges that arise when the surface layer is inhomogeneous. Findings on the measurement sensitivity of SRS at each voxel and in each layer can support the correct interpretation of measured values when near-infrared oximetry or functional near-infrared spectroscopy is used to investigate different tissue structures. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

  9. In vivo quantification of intracerebral GABA by single-voxel {sup 1}H-MRS-How reproducible are the results?

    Energy Technology Data Exchange (ETDEWEB)

    Bogner, W. [MR Centre of Excellence, Department of Radiology, Medical University of Vienna, Waehringer Guertel 18-20, A-1090 Vienna (Austria)], E-mail: wolfgang@nmr.at; Gruber, S. [MR Centre of Excellence, Department of Radiology, Medical University of Vienna, Waehringer Guertel 18-20, A-1090 Vienna (Austria)], E-mail: stephan@nmr.at; Doelken, M. [Department of Neuroradiology, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Austria)], E-mail: marc.doelken@uk-erlangen.de; Stadlbauer, A. [Department of Neurosurgery, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Austria)], E-mail: andi@nmr.at; Ganslandt, O. [Department of Neurosurgery, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Austria)], E-mail: oliver.ganslandt@uk-erlangen.de; Boettcher, U. [Siemens Medical Solution, Karl-Schall Str. 6, D-91052 Erlangen (Germany)], E-mail: uwe.boettcher@siemens.com; Trattnig, S. [MR Centre of Excellence, Department of Radiology, Medical University of Vienna, Waehringer Guertel 18-20, A-1090 Vienna (Austria)], E-mail: siegfried.trattnig@meduniwien.ac.at; Doerfler, A. [Department of Neuroradiology, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Austria)], E-mail: a.doerfler@nrad.imed.uni-erlangen.de; Stefan, H. [Center Epilepsy Erlangen (ZEE), Department of Neurology, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Germany)], E-mail: Hermann.Stefan@uk-erlangen.de; Hammen, T. [Center Epilepsy Erlangen (ZEE), Department of Neurology, University of Erlangen-Nuremberg, Schwabachanlage 6, D-91054 Erlangen (Germany)], E-mail: thilo.hammen@uk-erlangen.de

    2010-03-15

    Gamma aminobutyric acid (GABA) is the major inhibitory neurotransmitter in the human brain. It plays a decisive role in a variety of nervous system disorders, such as anxiety disorders, epilepsy, schizophrenia, insomnia, and many others. The reproducibility of GABA quantification results obtained with a single-voxel spectroscopy J-difference editing sequence with Point Resolved Spectroscopy localization (MEGA-PRESS) was determined on a 3.0 Tesla MR scanner in healthy adults. Eleven volunteers were measured in long- and short-term intervals. Intra- and inter-subject reproducibility were evaluated. Internal referencing of GABA+ to total creatine (tCr) and water (H{sub 2}O), as well as two different post-processing methods for the evaluation (signal integration and time-domain fitting) were compared. In all subjects lower coefficient of variation and therefore higher reproducibility can be observed for fitting compared to integration. The GABA+/tCr ratio performs better than the GABA+/H{sub 2}O ratio or GABA+ without internal referencing for both fitting and integration (GABA+/tCr: 13.3% and 17.0%; GABA+/H{sub 2}O: 15.0% and 17.8%; GABA+: 19.2% and 21.7%). Four-day measurements on three subjects showed higher intra- than inter-subject reproducibility (GABA+/tCr {approx}10-12%). With a coefficient of variation of about 13% for inter-subject and 10-12% for intra-subject variability of GABA+/tCr, this technique seems to be a precise tool that can detect GABA confidently. The results of this study show the reproducibility limitations of GABA quantification in vivo, which are necessary for further clinical studies.

  10. In vivo quantification of intracerebral GABA by single-voxel 1H-MRS-How reproducible are the results?

    International Nuclear Information System (INIS)

    Bogner, W.; Gruber, S.; Doelken, M.; Stadlbauer, A.; Ganslandt, O.; Boettcher, U.; Trattnig, S.; Doerfler, A.; Stefan, H.; Hammen, T.

    2010-01-01

    Gamma aminobutyric acid (GABA) is the major inhibitory neurotransmitter in the human brain. It plays a decisive role in a variety of nervous system disorders, such as anxiety disorders, epilepsy, schizophrenia, insomnia, and many others. The reproducibility of GABA quantification results obtained with a single-voxel spectroscopy J-difference editing sequence with Point Resolved Spectroscopy localization (MEGA-PRESS) was determined on a 3.0 Tesla MR scanner in healthy adults. Eleven volunteers were measured in long- and short-term intervals. Intra- and inter-subject reproducibility were evaluated. Internal referencing of GABA+ to total creatine (tCr) and water (H 2 O), as well as two different post-processing methods for the evaluation (signal integration and time-domain fitting) were compared. In all subjects lower coefficient of variation and therefore higher reproducibility can be observed for fitting compared to integration. The GABA+/tCr ratio performs better than the GABA+/H 2 O ratio or GABA+ without internal referencing for both fitting and integration (GABA+/tCr: 13.3% and 17.0%; GABA+/H 2 O: 15.0% and 17.8%; GABA+: 19.2% and 21.7%). Four-day measurements on three subjects showed higher intra- than inter-subject reproducibility (GABA+/tCr ∼10-12%). With a coefficient of variation of about 13% for inter-subject and 10-12% for intra-subject variability of GABA+/tCr, this technique seems to be a precise tool that can detect GABA confidently. The results of this study show the reproducibility limitations of GABA quantification in vivo, which are necessary for further clinical studies.

  11. Voxel-Based Spatial Filtering Method for Canopy Height Retrieval from Airborne Single-Photon Lidar

    Directory of Open Access Journals (Sweden)

    Hao Tang

    2016-09-01

    Full Text Available Airborne single-photon lidar (SPL is a new technology that holds considerable potential for forest structure and carbon monitoring at large spatial scales because it acquires 3D measurements of vegetation faster and more efficiently than conventional lidar instruments. However, SPL instruments use green wavelength (532 nm lasers, which are sensitive to background solar noise, and therefore SPL point clouds require more elaborate noise filtering than other lidar instruments to determine canopy heights, particularly in daytime acquisitions. Histogram-based aggregation is a commonly used approach for removing noise from photon counting lidar data, but it reduces the resolution of the dataset. Here we present an alternate voxel-based spatial filtering method that filters noise points efficiently while largely preserving the spatial integrity of SPL data. We develop and test our algorithms on an experimental SPL dataset acquired over Garrett County in Maryland, USA. We then compare canopy attributes retrieved using our new algorithm with those obtained from the conventional histogram binning approach. Our results show that canopy heights derived using the new algorithm have a strong agreement with field-measured heights (r2 = 0.69, bias = 0.42 m, RMSE = 4.85 m and discrete return lidar heights (r2 = 0.94, bias = 1.07 m, RMSE = 2.42 m. Results are consistently better than height accuracies from the histogram method (field data: r2 = 0.59, bias = 0.00 m, RMSE = 6.25 m; DRL: r2 = 0.78, bias = −0.06 m and RMSE = 4.88 m. Furthermore, we find that the spatial-filtering method retains fine-scale canopy structure detail and has lower errors over steep slopes. We therefore believe that automated spatial filtering algorithms such as the one presented here can support large-scale, canopy structure mapping from airborne SPL data.

  12. Simultaneous two-voxel localized 1H-observed 13C-edited spectroscopy for in vivo MRS on rat brain at 9.4 T: Application to the investigation of excitotoxic lesions

    Science.gov (United States)

    Doan, Bich-Thuy; Autret, Gwennhael; Mispelter, Joël; Méric, Philippe; Même, William; Montécot-Dubourg, Céline; Corrèze, Jean-Loup; Szeremeta, Frédéric; Gillet, Brigitte; Beloeil, Jean-Claude

    2009-05-01

    13C spectroscopy combined with the injection of 13C-labeled substrates is a powerful method for the study of brain metabolism in vivo. Since highly localized measurements are required in a heterogeneous organ such as the brain, it is of interest to augment the sensitivity of 13C spectroscopy by proton acquisition. Furthermore, as focal cerebral lesions are often encountered in animal models of disorders in which the two brain hemispheres are compared, we wished to develop a bi-voxel localized sequence for the simultaneous bilateral investigation of rat brain metabolism, with no need for external additional references. Two sequences were developed at 9.4 T: a bi-voxel 1H-( 13C) STEAM-POCE (Proton Observed Carbon Edited) sequence and a bi-voxel 1H-( 13C) PRESS-POCE adiabatically decoupled sequence with Hadamard encoding. Hadamard encoding allows both voxels to be recorded simultaneously, with the same acquisition time as that required for a single voxel. The method was validated in a biological investigation into the neuronal damage and the effect on the Tri Carboxylic Acid cycle in localized excitotoxic lesions. Following an excitotoxic quinolinate-induced localized lesion in the rat cortex and the infusion of U- 13C glucose, two 1H-( 13C) spectra of distinct (4 × 4 × 4 mm 3) voxels, one centred on the injured hemisphere and the other on the contralateral hemisphere, were recorded simultaneously. Two 1H bi-voxel spectra were also recorded and showed a significant decrease in N-acetyl aspartate, and an accumulation of lactate in the ipsilateral hemisphere. The 1H-( 13C) spectra could be recorded dynamically as a function of time, and showed a fall in the glutamate/glutamine ratio and the presence of a stable glutamine pool, with a permanent increase of lactate in the ipsilateral hemisphere. This bi-voxel 1H-( 13C) method can be used to investigate simultaneously both brain hemispheres, and to perform dynamic studies. We report here the neuronal damage and the

  13. The Effects of Voxel Localization and Time of Echo on the Diagnostic Accuracy of Cystic Brain Tumors in 3 Tesla Magnetic Resonance Spectroscopy

    International Nuclear Information System (INIS)

    Rezvanizadeh, Alireza; Firouznia, Kavous; Salehi-Sadaghiani, Mohammad; Mohseni, Meisam; Gharaei, Dona; Ghanaati, Hossein; Saligheh Rad, Hamidreza; Masoudnia, Majid

    2012-01-01

    Although magnetic resonance spectroscopy (MRS) has been shown as an effective diagnostic tool in distinguishing inflammation from neoplasm in cystic brain lesions, the optimum approach in selecting the portions of lesions in MRS and the possible effects of different times of echoes (TEs) remains unknown. To determine the most effective TE in diagnosing neoplastic lesions based on detecting choline (Cho), N acetyl aspartate (NAA) and creatinine (Cr). Moreover, the role of voxel localization on the diagnosis of the neoplastic nature of the lesions is assessed through comparing the abovementioned metabolite ratios in the rim and center of each lesion with the same TE. In 16 patients with brain cystic tumors, MRS was performed at TEs of 30, 135 and 270 ms for detection of Cho, NAA and Cr metabolites using a 3 tesla MRI unit. The percentage of analyzed ratios greater than a cut-off point of 1.3 for Cho/Cr and 1.6 for Cho/NAA were calculated. Cho/Cr and Cho/NAA ratio means at all TEs were more at the central area in comparison with the periphery, although none of the differences were statistically significant. There was no statistically significant difference among the compared TEs. The percentages of ratios above the cut-off point at all TEs were more in the rim compared to the center and in the union of both compared to the rim or center. All the patients had at least one voxel with a Cho/Cr ratio of more than 1.3 when the voxel was chosen according to the hotspots shown in the chemical shift imaging map, regardless of their location at all examined TEs. Selection of voxels with the guide of chemical shift imaging map yields to 100% diagnostic sensitivity. If not accessible, the use of the union of peripheral and central voxels enhances the sensitivity when compared to usage of peripheral or central voxels solely

  14. Oral administration of choline does not affect metabolic characteristics of gliomas and normal-appearing white matter, as detected with single-voxel 1H-MRS at 1.5 T

    International Nuclear Information System (INIS)

    Chernov, Mikhail F.; Iseki, Hiroshi; Takakura, Kintomo; Muragaki, Yoshihiro; Maruyama, Takashi; Ono, Yuko; Usukura, Masao; Yoshida, Shigetoshi; Nakamura, Ryoichi; Kubo, Osami; Hori, Tomokatsu

    2009-01-01

    The present study was done for evaluation of the possible influence of the oral administration of choline on metabolic characteristics of gliomas detected with proton magnetic resonance spectroscopy ( 1 H-MRS). Thirty patients (22 men and eight women; mean age 38±15 years) with suspicious intracranial gliomas underwent single-voxel long-echo (TR 2,000 ms, TE 136 ms, 128-256 acquisitions) 1 H-MRS of the tumor, peritumoral brain tissue, and distant normal-appearing white matter before and several hours (median, 3 h; range, 1.2-3.7 h) after ingestion of choline with prescribed dose of 50 mg/kg (median actual dose, 52 mg/kg; range, 48-78 mg/kg). Investigations were done using 1.5 T clinical magnetic resonance imager. The volume of the rectangular 1 H-MRS voxel was either 3.4 or 8 cm 3 . At the time of both spectroscopic examinations, similar voxels' positioning and size and technical parameters of 1 H-MRS were used. Surgery was done in 27 patients within 1 to 68 days thereafter. In all cases, more than 80% resection of the neoplasm was attained. There were 12 low-grade gliomas and 15 high-grade gliomas. MIB-1 index varied from 0% to 51.7% (median, 13.8%). Statistical analysis did not disclose significant differences of any investigated metabolic parameter of the tumor, peritumoral brain tissue and distant normal-appearing white matter between two spectroscopic examinations. Single-voxel 1 H-MRS at 1.5 T could not detect significant changes of the metabolic characteristics of gliomas, peritumoral brain tissue, and distant normal-appearing white matter after oral administration of choline. (orig.)

  15. Single Molecule Spectroscopy of Electron Transfer

    International Nuclear Information System (INIS)

    Holman, Michael; Zang, Ling; Liu, Ruchuan; Adams, David M.

    2009-01-01

    The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

  16. Apparent brain temperature imaging with multi-voxel proton magnetic resonance spectroscopy compared with cerebral blood flow and metabolism imaging on positron emission tomography in patients with unilateral chronic major cerebral artery steno-occlusive disease

    Energy Technology Data Exchange (ETDEWEB)

    Nanba, Takamasa; Nishimoto, Hideaki; Murakami, Toshiyuki; Fujiwara, Shunrou; Ogasawara, Kuniaki [Iwate Medical University, Department of Neurosurgery, Iwate (Japan); Yoshioka, Yoshichika [Osaka University, Open and Transdisciplinary Research Initiatives, Osaka (Japan); Sasaki, Makoto; Uwano, Ikuko [Iwate Medical University, Institute for Biomedical Science, Iwate (Japan); Terasaki, Kazunori [Iwate Medical University, Cyclotron Research Center, Iwate (Japan)

    2017-09-15

    The purpose of the present study was to determine whether apparent brain temperature imaging using multi-voxel proton magnetic resonance (MR) spectroscopy correlates with cerebral blood flow (CBF) and metabolism imaging in the deep white matter of patients with unilateral chronic major cerebral artery steno-occlusive disease. Apparent brain temperature and CBF and metabolism imaging were measured using proton MR spectroscopy and {sup 15}O-positron emission tomography (PET), respectively, in 35 patients. A set of regions of interest (ROIs) of 5 x 5 voxels was placed on an MR image so that the voxel row at each edge was located in the deep white matter of the centrum semiovale in each cerebral hemisphere. PET images were co-registered with MR images with these ROIs and were re-sliced automatically using image analysis software. In 175 voxel pairs located in the deep white matter, the brain temperature difference (affected hemisphere - contralateral hemisphere: ΔBT) was correlated with cerebral blood volume (CBV) (r = 0.570) and oxygen extraction fraction (OEF) ratios (affected hemisphere/contralateral hemisphere) (r = 0.641). We excluded voxels that contained ischemic lesions or cerebrospinal fluid and calculated the mean values of voxel pairs in each patient. The mean ΔBT was correlated with the mean CBF (r = - 0.376), mean CBV (r = 0.702), and mean OEF ratio (r = 0.774). Apparent brain temperature imaging using multi-voxel proton MR spectroscopy was correlated with CBF and metabolism imaging in the deep white matter of patients with unilateral major cerebral artery steno-occlusive disease. (orig.)

  17. Improved single ion cyclotron resonance mass spectroscopy

    International Nuclear Information System (INIS)

    Boyce, K.R.

    1993-01-01

    The author has improved the state of the art for precision mass spectroscopy of a mass doublet to below one part in 10 10 . By alternately loading single ions into a Penning trap, the author has determined the mass ratio M(CO + )/M(N + 2 ) = 0.999 598 887 74(11), an accuracy of 1 x 10 -10 . This is a factor of 4 improvement over previous measurements, and a factor of 10 better than the 1985 atomic mass table adjustment [WAA85a]. Much of the author's apparatus has been rebuilt, increasing the signal-to-noise ratio and improving the reliability of the machine. The typical time needed to make and cool a single ion has been reduced from about half an hour to under 5 minutes. This was done by a combination of faster ion-making and a much faster procedure for driving out ions of the wrong species. The improved S/N, in combination with a much better signal processing algorithm to extract the ion phase and frequency from the author's data, has substantially reduced the time required for the actual measurements. This is important now that the measurement time is a substantial fraction of the cycle time (the time to make a new ion and measure it). The improvements allow over 30 comparisons in one night, compared to 2 per night previously. This not only improves the statistics, but eliminates the possibility of large non-Gaussian errors due to sudden magnetic field shifts

  18. Single molecule microscopy and spectroscopy: concluding remarks.

    Science.gov (United States)

    van Hulst, Niek F

    2015-01-01

    Chemistry is all about molecules: control, synthesis, interaction and reaction of molecules. All too easily on a blackboard, one draws molecules, their structures and dynamics, to create an insightful picture. The dream is to see these molecules in reality. This is exactly what "Single Molecule Detection" provides: a look at molecules in action at ambient conditions; a breakthrough technology in chemistry, physics and biology. Within the realms of the Royal Society of Chemistry, the Faraday Discussion on "Single Molecule Microscopy and Spectroscopy" was a very appropriate topic for presentation, deliberation and debate. Undoubtedly, the Faraday Discussions have a splendid reputation in stimulating scientific debates along the traditions set by Michael Faraday. Interestingly, back in the 1830's, Faraday himself pursued an experiment that led to the idea that atoms in a compound were joined by an electrical component. He placed two opposite electrodes in a solution of water containing a dissolved compound, and observed that one of the elements of the compound accumulated on one electrode, while the other was deposited on the opposite electrode. Although Faraday was deeply opposed to atomism, he had to recognize that electrical forces were responsible for the joining of atoms. Probably a direct view on the atoms or molecules in his experiment would have convinced him. As such, Michael Faraday might have liked the gathering at Burlington House in September 2015 (). Surely, with the questioning eyes of his bust on the 1st floor corridor, the non-believer Michael Faraday has incited each passer-by to enter into discussion and search for deeper answers at the level of single molecules. In these concluding remarks, highlights of the presented papers and discussions are summarized, complemented by a conclusion on future perspectives.

  19. Parallel reconstruction in accelerated multivoxel MR spectroscopy

    NARCIS (Netherlands)

    Boer, V. O.; Klomp, D. W. J.; Laterra, J.; Barker, P. B.

    PurposeTo develop the simultaneous acquisition of multiple voxels in localized MR spectroscopy (MRS) using sensitivity encoding, allowing reduced total scan time compared to conventional sequential single voxel (SV) acquisition methods. MethodsDual volume localization was used to simultaneously

  20. Single Molecule Spectroscopy in Chemistry, Physics and Biology Nobel Symposium

    CERN Document Server

    Gräslund, Astrid; Widengren, Jerker

    2010-01-01

    Written by the leading experts in the field, this book describes the development and current state-of-the-art in single molecule spectroscopy. The application of this technique, which started 1989, in physics, chemistry and biosciences is displayed.

  1. Memory effects in single-molecule spectroscopy

    International Nuclear Information System (INIS)

    Schmitt, Daniel T.; Schulz, Michael; Reineker, Peter

    2007-01-01

    From the time series of LH2 optical single-molecule fluorescence excitation spectra of Rhodospirillum molischianum the memory function of the Mori-Zwanzig equation for the optical intensity is derived numerically. We show that the time dependence of the excited states is determined by at least three different non-Markovian stochastic processes with decay constants for the Mori-Zwanzig kernel on the order of 1-5min -1 . We suggest that this decay stems from the conformational motion of the protein scaffold of LH2

  2. Single Molecule Spectroscopy on Photosynthetic Pigment-Protein Complexes

    CERN Document Server

    Jelezko, F; Schuler, S; Thews, E; Tietz, C; Wechsler, A; Wrachtrup, J

    2001-01-01

    Single molecule spectroscopy was applied to unravel the energy transfer pathway in photosynthetic pigment-protein complexes. Detailed analysis of excitation and fluorescence emission spectra has been made for peripheral plant antenna LHC II and Photosystem I from cyanobacterium Synechococcus elongatus. Optical transitions of individual pigments were resolved under nonselective excitation of antenna chlorophylls. High-resolution fluorescence spectroscopy of individual plant antenna LHC II indicates that at low temperatures, the excitation energy is localized on the red-most Chl a pool absorbing at 680 nm. More than one pigment molecule is responsible for the fluorescence emission of the LHC II trimer. The spectral lines of single Chl a molecules absorbing at 675 nm are broadened because of the Foerster energy transfer towards the red-most pigments. Low-temperature spectroscopy on single PS I trimers indicates that two subgroups of pigments, which are present in the red antenna pool, differ by the strength of t...

  3. Single molecule force spectroscopy: methods and applications in biology

    International Nuclear Information System (INIS)

    Shen Yi; Hu Jun

    2012-01-01

    Single molecule measurements have transformed our view of biomolecules. Owing to the ability of monitoring the activity of individual molecules, we now see them as uniquely structured, fluctuating molecules that stochastically transition between frequently many substrates, as two molecules do not follow precisely the same trajectory. Indeed, it is this discovery of critical yet short-lived substrates that were often missed in ensemble measurements that has perhaps contributed most to the better understanding of biomolecular functioning resulting from single molecule experiments. In this paper, we give a review on the three major techniques of single molecule force spectroscopy, and their applications especially in biology. The single molecular study of biotin-streptavidin interactions is introduced as a successful example. The problems and prospects of the single molecule force spectroscopy are discussed, too. (authors)

  4. Voxel-Based Correlation between Coregistered Single-Photon Emission Computed Tomography and Dynamic Susceptibility Contrast Magnetic Resonance Imaging in Subjects with Suspected Alzheimer Disease

    International Nuclear Information System (INIS)

    Cavallin, L.; Axelsson, R.; Wahlund, L.O.; Oeksengard, A.R.; Svensson, L.; Juhlin, P.; Wiberg, M. Kristoffersen; Frank, A.

    2008-01-01

    Background: Current diagnosis of Alzheimer disease is made by clinical, neuropsychologic, and neuroimaging assessments. Neuroimaging techniques such as magnetic resonance imaging (MRI) and single-photon emission computed tomography (SPECT) could be valuable in the differential diagnosis of Alzheimer disease, as well as in assessing prognosis. Purpose: To compare SPECT and MRI in a cohort of patients examined for suspected dementia, including patients with no objective cognitive impairment (control group), mild cognitive impairment (MCI), and Alzheimer disease (AD). Material and Methods: 24 patients, eight with AD, 10 with MCI, and six controls, were investigated with SPECT using 99m Tc-hexamethylpropyleneamine oxime (HMPAO, Ceretec; GE Healthcare Ltd., Little Chalsont UK) and dynamic susceptibility contrast magnetic resonance imaging (DSC-MRI) with a contrast-enhancing gadobutrol formula (Gadovist; Bayer Schering Pharma, Berlin, Germany). Voxel-based correlation between coregistered SPECT and DSC-MR images was calculated. Region-of-interest (ROI) analyses were then performed in 24 different brain areas using brain registration and analysis of SPECT studies (BRASS; Nuclear Diagnostics AB, Stockholm (SE)) on both SPECT and DSC-MRI. Results: Voxel-based correlation between coregistered SPECT and DSC-MR showed a high correlation, with a mean correlation coefficient of 0.94. ROI analyses of 24 regions showed significant differences between the control group and AD patients in 10 regions using SPECT and five regions in DSC-MR. Conclusion: SPECT remains superior to DSC-MRI in differentiating normal from pathological perfusion, and DSC-MRI could not replace SPECT in the diagnosis of patients with Alzheimer disease

  5. Spectroscopy and coherent manipulation of single and coupled flux qubits

    International Nuclear Information System (INIS)

    Wu Yu-Lin; Deng Hui; Huang Ke-Qiang; Tian Ye; Yu Hai-Feng; Xue Guang-Ming; Jin Yi-Rong; Li Jie; Zhao Shi-Ping; Zheng Dong-Ning

    2013-01-01

    Measurements of three-junction flux qubits, both single flux qubits and coupled flux qubits, using a coupled direct current superconducting quantum interference device (dc-SQUID) for readout are reported. The measurement procedure is described in detail. We performed spectroscopy measurements and coherent manipulations of the qubit states on a single flux qubit, demonstrating quantum energy levels and Rabi oscillations, with Rabi oscillation decay time T Rabi = 78 ns and energy relaxation time T 1 = 315 ns. We found that the value of T Rabi depends strongly on the mutual inductance between the qubit and the magnetic coil. We also performed spectroscopy measurements on inductively coupled flux qubits. (general)

  6. Inelastic electron tunneling spectroscopy of a single nuclear spin.

    Science.gov (United States)

    Delgado, F; Fernández-Rossier, J

    2011-08-12

    Detection of a single nuclear spin constitutes an outstanding problem in different fields of physics such as quantum computing or magnetic imaging. Here we show that the energy levels of a single nuclear spin can be measured by means of inelastic electron tunneling spectroscopy (IETS). We consider two different systems, a magnetic adatom probed with scanning tunneling microscopy and a single Bi dopant in a silicon nanotransistor. We find that the hyperfine coupling opens new transport channels which can be resolved at experimentally accessible temperatures. Our simulations evince that IETS yields information about the occupations of the nuclear spin states, paving the way towards transport-detected single nuclear spin resonance.

  7. Room temperature excitation spectroscopy of single quantum dots

    Directory of Open Access Journals (Sweden)

    Christian Blum

    2011-08-01

    Full Text Available We report a single molecule detection scheme to investigate excitation spectra of single emitters at room temperature. We demonstrate the potential of single emitter photoluminescence excitation spectroscopy by recording excitation spectra of single CdSe nanocrystals over a wide spectral range of 100 nm. The spectra exhibit emission intermittency, characteristic of single emitters. We observe large variations in the spectra close to the band edge, which represent the individual heterogeneity of the observed quantum dots. We also find specific excitation wavelengths for which the single quantum dots analyzed show an increased propensity for a transition to a long-lived dark state. We expect that the additional capability of recording excitation spectra at room temperature from single emitters will enable insights into the photophysics of emitters that so far have remained inaccessible.

  8. Single atom identification by energy dispersive x-ray spectroscopy

    International Nuclear Information System (INIS)

    Lovejoy, T. C.; Dellby, N.; Krivanek, O. L.; Ramasse, Q. M.; Falke, M.; Kaeppel, A.; Terborg, R.; Zan, R.

    2012-01-01

    Using aberration-corrected scanning transmission electron microscope and energy dispersive x-ray spectroscopy, single, isolated impurity atoms of silicon and platinum in monolayer and multilayer graphene are identified. Simultaneously acquired electron energy loss spectra confirm the elemental identification. Contamination difficulties are overcome by employing near-UHV sample conditions. Signal intensities agree within a factor of two with standardless estimates.

  9. Theory of single-spin inelastic tunneling spectroscopy.

    Science.gov (United States)

    Fernández-Rossier, J

    2009-06-26

    I show that recent experiments of inelastic scanning tunneling spectroscopy of single and a few magnetic atoms are modeled with a phenomenological spin-assisted tunneling Hamiltonian so that the inelastic dI/dV line shape is related to the spin spectral weight of the magnetic atom. This accounts for the spin selection rules and dI/dV spectra observed experimentally for single Fe and Mn atoms deposited on Cu2N. In the case of chains of Mn atoms it is found necessary to include both first and second-neighbor exchange interactions as well as single-ion anisotropy.

  10. VoxelStats: A MATLAB Package for Multi-Modal Voxel-Wise Brain Image Analysis.

    Science.gov (United States)

    Mathotaarachchi, Sulantha; Wang, Seqian; Shin, Monica; Pascoal, Tharick A; Benedet, Andrea L; Kang, Min Su; Beaudry, Thomas; Fonov, Vladimir S; Gauthier, Serge; Labbe, Aurélie; Rosa-Neto, Pedro

    2016-01-01

    In healthy individuals, behavioral outcomes are highly associated with the variability on brain regional structure or neurochemical phenotypes. Similarly, in the context of neurodegenerative conditions, neuroimaging reveals that cognitive decline is linked to the magnitude of atrophy, neurochemical declines, or concentrations of abnormal protein aggregates across brain regions. However, modeling the effects of multiple regional abnormalities as determinants of cognitive decline at the voxel level remains largely unexplored by multimodal imaging research, given the high computational cost of estimating regression models for every single voxel from various imaging modalities. VoxelStats is a voxel-wise computational framework to overcome these computational limitations and to perform statistical operations on multiple scalar variables and imaging modalities at the voxel level. VoxelStats package has been developed in Matlab(®) and supports imaging formats such as Nifti-1, ANALYZE, and MINC v2. Prebuilt functions in VoxelStats enable the user to perform voxel-wise general and generalized linear models and mixed effect models with multiple volumetric covariates. Importantly, VoxelStats can recognize scalar values or image volumes as response variables and can accommodate volumetric statistical covariates as well as their interaction effects with other variables. Furthermore, this package includes built-in functionality to perform voxel-wise receiver operating characteristic analysis and paired and unpaired group contrast analysis. Validation of VoxelStats was conducted by comparing the linear regression functionality with existing toolboxes such as glim_image and RMINC. The validation results were identical to existing methods and the additional functionality was demonstrated by generating feature case assessments (t-statistics, odds ratio, and true positive rate maps). In summary, VoxelStats expands the current methods for multimodal imaging analysis by allowing the

  11. Analysis of DNA interactions using single-molecule force spectroscopy.

    Science.gov (United States)

    Ritzefeld, Markus; Walhorn, Volker; Anselmetti, Dario; Sewald, Norbert

    2013-06-01

    Protein-DNA interactions are involved in many biochemical pathways and determine the fate of the corresponding cell. Qualitative and quantitative investigations on these recognition and binding processes are of key importance for an improved understanding of biochemical processes and also for systems biology. This review article focusses on atomic force microscopy (AFM)-based single-molecule force spectroscopy and its application to the quantification of forces and binding mechanisms that lead to the formation of protein-DNA complexes. AFM and dynamic force spectroscopy are exciting tools that allow for quantitative analysis of biomolecular interactions. Besides an overview on the method and the most important immobilization approaches, the physical basics of the data evaluation is described. Recent applications of AFM-based force spectroscopy to investigate DNA intercalation, complexes involving DNA aptamers and peptide- and protein-DNA interactions are given.

  12. A versatile optical microscope for time-dependent single-molecule and single-particle spectroscopy

    Science.gov (United States)

    Li, Hao; Yang, Haw

    2018-03-01

    This work reports the design and implementation of a multi-function optical microscope for time-dependent spectroscopy on single molecules and single nanoparticles. It integrates the now-routine single-object measurements into one standalone platform so that no reconfiguration is needed when switching between different types of sample or spectroscopy modes. The illumination modes include evanescent field through total internal reflection, dark-field illumination, and epi-excitation onto a diffraction-limited spot suitable for confocal detection. The detection modes include spectrally resolved line imaging, wide-field imaging with dual-color capability, and two-color single-element photon-counting detection. The switch between different spectroscopy and data acquisition modes is fully automated and executed through computer programming. The capability of this microscope is demonstrated through selected proof-of-principle experiments.

  13. A versatile optical microscope for time-dependent single-molecule and single-particle spectroscopy.

    Science.gov (United States)

    Li, Hao; Yang, Haw

    2018-03-28

    This work reports the design and implementation of a multi-function optical microscope for time-dependent spectroscopy on single molecules and single nanoparticles. It integrates the now-routine single-object measurements into one standalone platform so that no reconfiguration is needed when switching between different types of sample or spectroscopy modes. The illumination modes include evanescent field through total internal reflection, dark-field illumination, and epi-excitation onto a diffraction-limited spot suitable for confocal detection. The detection modes include spectrally resolved line imaging, wide-field imaging with dual-color capability, and two-color single-element photon-counting detection. The switch between different spectroscopy and data acquisition modes is fully automated and executed through computer programming. The capability of this microscope is demonstrated through selected proof-of-principle experiments.

  14. Rationale for single molecule detection by means of Raman spectroscopy

    International Nuclear Information System (INIS)

    Gaponenko, S.V.; Guzatov, D.V.

    2009-01-01

    A consistent quantum electrodynamical description is proposed of Raman scattering of light by a molecule in a medium with a modified photon density of states. Enhanced local density of states near a metal nanobody is shown to increase a scattering rate by several orders of magnitude, thus providing a rationale for experimental detection of single molecules by means of Raman spectroscopy. For an ellipsoidal particle 10 14 -fold enhancement of the Raman scattering cross-section is obtained. (authors)

  15. Compressive Force Spectroscopy: From Living Cells to Single Proteins.

    Science.gov (United States)

    Wang, Jiabin; Liu, Meijun; Shen, Yi; Sun, Jielin; Shao, Zhifeng; Czajkowsky, Daniel Mark

    2018-03-23

    One of the most successful applications of atomic force microscopy (AFM) in biology involves monitoring the effect of force on single biological molecules, often referred to as force spectroscopy. Such studies generally entail the application of pulling forces of different magnitudes and velocities upon individual molecules to resolve individualistic unfolding/separation pathways and the quantification of the force-dependent rate constants. However, a less recognized variation of this method, the application of compressive force, actually pre-dates many of these "tensile" force spectroscopic studies. Further, beyond being limited to the study of single molecules, these compressive force spectroscopic investigations have spanned samples as large as living cells to smaller, multi-molecular complexes such as viruses down to single protein molecules. Correspondingly, these studies have enabled the detailed characterization of individual cell states, subtle differences between seemingly identical viral structures, as well as the quantification of rate constants of functionally important, structural transitions in single proteins. Here, we briefly review some of the recent achievements that have been obtained with compressive force spectroscopy using AFM and highlight exciting areas of its future development.

  16. Detection of infarct lesions from single MRI modality using inconsistency between voxel intensity and spatial location--a 3-D automatic approach.

    Science.gov (United States)

    Shen, Shan; Szameitat, André J; Sterr, Annette

    2008-07-01

    Detection of infarct lesions using traditional segmentation methods is always problematic due to intensity similarity between lesions and normal tissues, so that multispectral MRI modalities were often employed for this purpose. However, the high costs of MRI scan and the severity of patient conditions restrict the collection of multiple images. Therefore, in this paper, a new 3-D automatic lesion detection approach was proposed, which required only a single type of anatomical MRI scan. It was developed on a theory that, when lesions were present, the voxel-intensity-based segmentation and the spatial-location-based tissue distribution should be inconsistent in the regions of lesions. The degree of this inconsistency was calculated, which indicated the likelihood of tissue abnormality. Lesions were identified when the inconsistency exceeded a defined threshold. In this approach, the intensity-based segmentation was implemented by the conventional fuzzy c-mean (FCM) algorithm, while the spatial location of tissues was provided by prior tissue probability maps. The use of simulated MRI lesions allowed us to quantitatively evaluate the performance of the proposed method, as the size and location of lesions were prespecified. The results showed that our method effectively detected lesions with 40-80% signal reduction compared to normal tissues (similarity index > 0.7). The capability of the proposed method in practice was also demonstrated on real infarct lesions from 15 stroke patients, where the lesions detected were in broad agreement with true lesions. Furthermore, a comparison to a statistical segmentation approach presented in the literature suggested that our 3-D lesion detection approach was more reliable. Future work will focus on adapting the current method to multiple sclerosis lesion detection.

  17. Single- and Multivoxel Proton Spectroscopy in Pediatric Patients With Diffuse Intrinsic Pontine Glioma

    Energy Technology Data Exchange (ETDEWEB)

    Steffen-Smith, Emilie A. [Pediatric Oncology Branch, National Cancer Institute, Center for Cancer Research, National Institutes of Health, Bethesda, Maryland (United States); Venzon, David J. [Biostatistics and Data Management Section, National Cancer Institute, National Institutes of Health, Bethesda, Maryland (United States); Bent, Robyn S. [Pediatric Oncology Branch, National Cancer Institute, Center for Cancer Research, National Institutes of Health, Bethesda, Maryland (United States); Hipp, Sean J. [Pediatric Oncology Branch, National Cancer Institute, Center for Cancer Research, National Institutes of Health, Bethesda, Maryland (United States); Department of Pediatrics, Walter Reed National Military Medical Center, Bethesda, Maryland (United States); Department of Pediatrics, Uniformed Services University of the Health Sciences, Bethesda, Maryland (United States); Warren, Katherine E., E-mail: warrenk@mail.nih.gov [Pediatric Oncology Branch, National Cancer Institute, Center for Cancer Research, National Institutes of Health, Bethesda, Maryland (United States)

    2012-11-01

    Purpose: To determine the feasibility of two magnetic resonance spectroscopy (MRS) techniques for treating pediatric patients with diffuse intrinsic pontine gliomas (DIPGs) and to evaluate the relationship of metabolic profiles determined by each technique. Utility of each technique for improving patient management is also discussed. Methods and Materials: Children with DIPG (n = 36) were evaluated using single-voxel spectroscopy (SVS) and magnetic resonance spectroscopic imaging (MRSI) during the same imaging session. Patients were followed longitudinally (n = 150 total studies). Technical feasibility was defined by sufficient water and lipid suppression for detection of metabolites. Correlation of metabolic data obtained by SVS and MRSI was determined using the Spearman rank method. Metabolite ratios, including choline:N-acetyl-aspartate (Cho:NAA) and Cho:creatine (Cho:Cr), were obtained from SVS and MRSI. Results: SVS and MRSI acquisitions were feasible in >90% of studies. Maximum Cho:NAA and Cho:Cr from MRSI analysis were strongly associated with Cho:NAA and Cho:Cr obtained by SVS (r = 0.67 and 0.76, respectively). MRSI Cho:NAA values were more heterogeneous than Cho:Cr values within the same lesion, and a strong linear relationship between the range and maximum Cho:NAA values was observed. Conclusions: SVS and MRSI acquisitions were feasible, with a strong correlation in metabolic data. Both techniques may improve diagnostic evaluation and management of DIPG. SVS is recommended for global assessment of tumor metabolism before and after therapy. MRSI showed heterogeneous patterns of metabolic activity within these tumors and is recommended for planning and monitoring targeted therapies and evaluating nearby tissue for tumor invasion.

  18. Cerebral metabolism in HIV infected patients with non-cognitive disorder using single voxel magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Shi Qi

    2015-09-01

    Conclusion: HIV infection induces inflammation in basal ganglia region, frontal lobe and parietal lobe before non-cognitive disorder occurs after HIV infection. However, the basal ganga region sees more neurons loss.

  19. Raman spectroscopy of boron-doped single-layer graphene.

    Science.gov (United States)

    Kim, Yoong Ahm; Fujisawa, Kazunori; Muramatsu, Hiroyuki; Hayashi, Takuya; Endo, Morinobu; Fujimori, Toshihiko; Kaneko, Katsumi; Terrones, Mauricio; Behrends, Jan; Eckmann, Axel; Casiraghi, Cinzia; Novoselov, Kostya S; Saito, Riichiro; Dresselhaus, Mildred S

    2012-07-24

    The introduction of foreign atoms, such as nitrogen, into the hexagonal network of an sp(2)-hybridized carbon atom monolayer has been demonstrated and constitutes an effective tool for tailoring the intrinsic properties of graphene. Here, we report that boron atoms can be efficiently substituted for carbon in graphene. Single-layer graphene substitutionally doped with boron was prepared by the mechanical exfoliation of boron-doped graphite. X-ray photoelectron spectroscopy demonstrated that the amount of substitutional boron in graphite was ~0.22 atom %. Raman spectroscopy demonstrated that the boron atoms were spaced 4.76 nm apart in single-layer graphene. The 7-fold higher intensity of the D-band when compared to the G-band was explained by the elastically scattered photoexcited electrons by boron atoms before emitting a phonon. The frequency of the G-band in single-layer substitutionally boron-doped graphene was unchanged, which could be explained by the p-type boron doping (stiffening) counteracting the tensile strain effect of the larger carbon-boron bond length (softening). Boron-doped graphene appears to be a useful tool for engineering the physical and chemical properties of graphene.

  20. Single-shot positron annihilation lifetime spectroscopy with LYSO scintillators

    OpenAIRE

    Alonso, A. M.; Cooper, B. S.; Deller, A.; Cassidy, D. B.

    2016-01-01

    We have evaluated the application of a lutetium yttrium oxyorthosilicate (LYSO) based detector to single-shot positron annihilation lifetime spectroscopy. We compare this detector directly with a similarly configured PbWO4 scintillator, which is the usual choice for such measurements. We find that the signal to noise ratio obtained using LYSO is around three times higher than that obtained using PbWO4 for measurements of Ps excited to longer-lived (Rydberg) levels, or when they are ionized so...

  1. Single-shot positron annihilation lifetime spectroscopy with LYSO scintillators

    Science.gov (United States)

    Alonso, A. M.; Cooper, B. S.; Deller, A.; Cassidy, D. B.

    2016-08-01

    We have evaluated the application of a lutetium yttrium oxyorthosilicate (LYSO) based detector to single-shot positron annihilation lifetime spectroscopy. We compare this detector directly with a similarly configured PbWO4 scintillator, which is the usual choice for such measurements. We find that the signal to noise ratio obtained using LYSO is around three times higher than that obtained using PbWO4 for measurements of Ps excited to longer-lived (Rydberg) levels, or when they are ionized soon after production. This is due to the much higher light output for LYSO (75% and 1% of NaI for LYSO and PbWO4 respectively). We conclude that LYSO is an ideal scintillator for single-shot measurements of positronium production and excitation performed using a low-intensity pulsed positron beam.

  2. Single-shot positron annihilation lifetime spectroscopy with LYSO scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, A.M., E-mail: a.alonso@ucl.ac.uk; Cooper, B.S.; Deller, A.; Cassidy, D.B.

    2016-08-21

    We have evaluated the application of a lutetium yttrium oxyorthosilicate (LYSO) based detector to single-shot positron annihilation lifetime spectroscopy. We compare this detector directly with a similarly configured PbWO{sub 4} scintillator, which is the usual choice for such measurements. We find that the signal to noise ratio obtained using LYSO is around three times higher than that obtained using PbWO{sub 4} for measurements of Ps excited to longer-lived (Rydberg) levels, or when they are ionized soon after production. This is due to the much higher light output for LYSO (75% and 1% of NaI for LYSO and PbWO{sub 4} respectively). We conclude that LYSO is an ideal scintillator for single-shot measurements of positronium production and excitation performed using a low-intensity pulsed positron beam.

  3. Defect spectroscopy of single ZnO microwires

    Science.gov (United States)

    Villafuerte, M.; Ferreyra, J. M.; Zapata, C.; Barzola-Quiquia, J.; Iikawa, F.; Esquinazi, P.; Heluani, S. P.; de Lima, M. M.; Cantarero, A.

    2014-04-01

    The point defects of single ZnO microwires grown by carbothermal reduction were studied by microphotoluminescence, photoresistance excitation spectra, and resistance as a function of the temperature. We found the deep level defect density profile along the microwire showing that the concentration of defects decreases from the base to the tip of the microwires and this effect correlates with a band gap narrowing. The results show a characteristic deep defect levels inside the gap at 0.88 eV from the top of the VB. The resistance as a function of the temperature shows defect levels next to the bottom of the CB at 110 meV and a mean defect concentration of 4 × 1018 cm-3. This combination of techniques allows us to study the band gap values and defects states inside the gap in single ZnO microwires and opens the possibility to be used as a defect spectroscopy method.

  4. Fluorescence Spectroscopy, Exciton Dynamics and Photochemistry of Single Allophycocyanin Trimers

    International Nuclear Information System (INIS)

    Ying, Liming; Xie, Xiaoliang

    1998-01-01

    We report a study of the spectroscopy and exciton dynamics of the allophycocyanin trimer (APC), a light harvesting protein complex from cyanobacteria, by room-temperature single-molecule measurements of fluorescence spectra, lifetimes, intensity trajectories and polarization modulation. Emission spectra of individual APC trimers are found to be homogeneous on the time scale of seconds. In contrast, their emission lifetimes are found to be widely distributed, because of generation of exciton traps during the course of measurements. The intensity trajectories and polarization modulation experiments indicate reversible ixciton trap formation within the three quasi-independent pairs of strong interacting a84 and B84 chromophores in APC, as well a photobleaching of individual chromophores. Comparison experiments under continuous wave and pulsed excitation reveal a two-photon mechanism for generating exciton traps and/or photobleaching, which involves exciton-exciton annihilation. These single-molecule experiments provide new insights into exciton dynamics and photochemistry of light-harvesting complexes

  5. Investigating single molecule adhesion by atomic force spectroscopy.

    Science.gov (United States)

    Stetter, Frank W S; Kienle, Sandra; Krysiak, Stefanie; Hugel, Thorsten

    2015-02-27

    Atomic force spectroscopy is an ideal tool to study molecules at surfaces and interfaces. An experimental protocol to couple a large variety of single molecules covalently onto an AFM tip is presented. At the same time the AFM tip is passivated to prevent unspecific interactions between the tip and the substrate, which is a prerequisite to study single molecules attached to the AFM tip. Analyses to determine the adhesion force, the adhesion length, and the free energy of these molecules on solid surfaces and bio-interfaces are shortly presented and external references for further reading are provided. Example molecules are the poly(amino acid) polytyrosine, the graft polymer PI-g-PS and the phospholipid POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine). These molecules are desorbed from different surfaces like CH3-SAMs, hydrogen terminated diamond and supported lipid bilayers under various solvent conditions. Finally, the advantages of force spectroscopic single molecule experiments are discussed including means to decide if truly a single molecule has been studied in the experiment.

  6. Total Internal Reflection Fluorescence Microscopy Imaging-Guided Confocal Single-Molecule Fluorescence Spectroscopy

    OpenAIRE

    Zheng, Desheng; Kaldaras, Leonora; Lu, H. Peter

    2013-01-01

    We have developed an integrated spectroscopy system combining total internal reflection fluorescence microscopy imaging with confocal single-molecule fluorescence spectroscopy for two-dimensional interfaces. This spectroscopy approach is capable of both multiple molecules simultaneously sampling and in situ confocal fluorescence dynamics analyses of individual molecules of interest. We have demonstrated the calibration with fluorescent microspheres, and carried out single-molecule spectroscop...

  7. Time-resolved luminescent spectroscopy of YAG:Ce single crystal and single crystalline films

    International Nuclear Information System (INIS)

    Zorenko, Yu.; Gorbenko, V.; Savchyn, V.; Vozniak, T.; Puzikov, V.; Danko, A.; Nizhankovski, S.

    2010-01-01

    The peculiarities of the luminescence and energy transfer from YAG host to the emission centers formed by the Y Al antisite defects and Ce 3+ ions have been studied in YAG:Ce single crystals, grown from the melt by modified Bridgman method in Ar and CO 2 + H 2 atmospheres, and YAG:Ce single crystalline film, grown by liquid phase epitaxy method, using the comparative time-resolved luminescent spectroscopy under excitation by synchrotron radiation in the range of fundamental adsorption of this garnet.

  8. Proton magnetic resonance spectroscopy and single photon emission CT in patients with olivopontocerebellar atrophy

    International Nuclear Information System (INIS)

    Ikuta, Naomi

    1998-01-01

    Using proton magnetic resonance spectroscopy ( 1 H-MRS) and single photon emission CT (SPECT), the cerebellum of patients with olivopontocerebellar atrophy (OPCA) and of age-matched control subjects was studied. A spectrum was collected from a 27 cm 3 (3 x 3 x 3 cm) voxel in the cerebellum containing white and gray matters in order to measure the distribution and relative signal intensities of N-acetylaspartate (NAA), creatine (Cre) and choline (Cho). In the cerebellum of the patients with OPCA, mean NAA/Cre ratios for OPCA patients were significantly decreased compared with normal control subjects (OPCA, 1.01±0.247; controls, 1.526±0.144: p<0.001). Mean NAA/Cho ratios for OPCA patients were slightly decreased (OPCA, 1.285±0.228; controls 1.702±0.469: p<0.06). Cho/Cre ratios valued in the cerebellum of OPCA patients were not significantly different from those in normal controls (OPCA, 0.793±0.186; controls, 0.946±0.219). The ratio of RI count in the cerebellum to that in the occipital lobe was significantly decreased in OPCA patients (OPCA, 0.947±0.096; controls, 1.06±0.063: p<0.01). Cerebellar signs were assessed including gait ataxia, limb ataxia, dysarthria, saccadic pursuit, and nystagmus separately or in combination. In patients with more severe ataxic gait and dysarthria, MRS revealed slightly lowered NAA/Cre ratio. There was no significant correlation between NAA/Cre ratio and severity of other clinical signs. The MRS and SPECT findings give a confirmative evidence of hypofunction in cerebellum of patients with OPCA. (author)

  9. Single-view volumetric PIV via high-resolution scanning, isotropic voxel restructuring and 3D least-squares matching (3D-LSM)

    International Nuclear Information System (INIS)

    Brücker, C; Hess, D; Kitzhofer, J

    2013-01-01

    Scanning PIV as introduced by Brücker (1995 Exp. Fluids 19 255–63, 1996a Appl. Sci. Res. 56 157–79) has been successfully applied in the last 20 years to different flow problems where the frame rate was sufficient to ensure a ‘frozen’ field condition. The limited number of parallel planes however leads typically to an under-sampling in the scan direction in depth; therefore, the spatial resolution in depth is typically considerably lower than the spatial resolution in the plane of the laser sheet (depth resolution = scan shift Δz ≫ pixel unit in object space). In addition, a partial volume averaging effect due to the thickness of the light sheet must be taken into account. Herein, the method is further developed using a high-resolution scanning in combination with a Gaussian regression technique to achieve an isotropic representation of the tracer particles in a voxel-based volume reconstruction with cuboidal voxels. This eliminates the partial volume averaging effect due to light sheet thickness and leads to comparable spatial resolution of the particle field reconstructions in x-, y- and z-axes. In addition, advantage of voxel-based processing with estimations of translation, rotation and shear/strain is taken by using a 3D least-squares matching method, well suited for reconstruction of grey-level pattern fields. The method is discussed in this paper and used to investigate the ring vortex instability at Re = 2500 within a measurement volume of roughly 75 × 75 × 50 mm 3 with a spatial resolution of 100 µm/voxel (750 × 750 × 500 voxel elements). The volume has been scanned with a number of 100 light sheets and scan rates of 10 kHz. The results show the growth of the Tsai–Widnall azimuthal instabilities accompanied with a precession of the axis of the vortex ring. Prior to breakdown, secondary instabilities evolve along the core with streamwise oriented striations. The front stagnation point's streamwise distance to the core starts to decrease

  10. Single-cell force spectroscopy of pili-mediated adhesion

    Science.gov (United States)

    Sullan, Ruby May A.; Beaussart, Audrey; Tripathi, Prachi; Derclaye, Sylvie; El-Kirat-Chatel, Sofiane; Li, James K.; Schneider, Yves-Jacques; Vanderleyden, Jos; Lebeer, Sarah; Dufrêne, Yves F.

    2013-12-01

    Although bacterial pili are known to mediate cell adhesion to a variety of substrates, the molecular interactions behind this process are poorly understood. We report the direct measurement of the forces guiding pili-mediated adhesion, focusing on the medically important probiotic bacterium Lactobacillus rhamnosus GG (LGG). Using non-invasive single-cell force spectroscopy (SCFS), we quantify the adhesion forces between individual bacteria and biotic (mucin, intestinal cells) or abiotic (hydrophobic monolayers) surfaces. On hydrophobic surfaces, bacterial pili strengthen adhesion through remarkable nanospring properties, which - presumably - enable the bacteria to resist high shear forces under physiological conditions. On mucin, nanosprings are more frequent and adhesion forces larger, reflecting the influence of specific pili-mucin bonds. Interestingly, these mechanical responses are no longer observed on human intestinal Caco-2 cells. Rather, force curves exhibit constant force plateaus with extended ruptures reflecting the extraction of membrane nanotethers. These single-cell analyses provide novel insights into the molecular mechanisms by which piliated bacteria colonize surfaces (nanosprings, nanotethers), and offer exciting avenues in nanomedicine for understanding and controlling the adhesion of microbial cells (probiotics, pathogens).

  11. Single molecule atomic force microscopy and force spectroscopy of chitosan.

    Science.gov (United States)

    Kocun, Marta; Grandbois, Michel; Cuccia, Louis A

    2011-02-01

    Atomic force microscopy (AFM) and AFM-based force spectroscopy was used to study the desorption of individual chitosan polymer chains from substrates with varying chemical composition. AFM images of chitosan adsorbed onto a flat mica substrate show elongated single strands or aggregated bundles. The aggregated state of the polymer is consistent with the high level of flexibility and mobility expected for a highly positively charged polymer strand. Conversely, the visualization of elongated strands indicated the presence of stabilizing interactions with the substrate. Surfaces with varying chemical composition (glass, self-assembled monolayer of mercaptoundecanoic acid/decanethiol and polytetrafluoroethylene (PTFE)) were probed with chitosan modified AFM tips and the corresponding desorption energies, calculated from plateau-like features, were attributed to the desorption of individual polymer strands. Desorption energies of 2.0±0.3×10(-20)J, 1.8±0.3×10(-20)J and 3.5±0.3×10(-20)J were obtained for glass, SAM of mercaptoundecanoic/dodecanethiol and PTFE, respectively. These single molecule level results can be used as a basis for investigating chitosan and chitosan-based materials for biomaterial applications. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Charged-particle spectroscopy in organic semiconducting single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ciavatti, A.; Basiricò, L.; Fraboni, B. [Department of Physics and Astronomy, University of Bologna, Viale Berti Pichat 6/2, 40127 Bologna (Italy); Sellin, P. J. [Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Fraleoni-Morgera, A. [ELETTRA-Sincrotrone Trieste, Strada Statale 14, Km 163.5, Basovizza, Trieste (Italy); Department of Engineering and Architecture, University of Trieste, V. Valerio 10, 34100 Trieste (Italy); CNR-Nano S3 Institute, Via Campi 213/A, 41125 Modena (Italy)

    2016-04-11

    The use of organic materials as radiation detectors has grown, due to the easy processability in liquid phase at room temperature and the possibility to cover large areas by means of low cost deposition techniques. Direct charged-particle detectors based on solution-grown Organic Semiconducting Single Crystals (OSSCs) are shown to be capable to detect charged particles in pulse mode, with very good peak discrimination. The direct charged-particle detection in OSSCs has been assessed both in the planar and in the vertical axes, and a digital pulse processing algorithm has been used to perform pulse height spectroscopy and to study the charge collection efficiency as a function of the applied bias voltage. Taking advantage of the charge spectroscopy and the good peak discrimination of pulse height spectra, an Hecht-like behavior of OSSCs radiation detectors is demonstrated. It has been possible to estimate the mobility-lifetime value in organic materials, a fundamental parameter for the characterization of radiation detectors, whose results are equal to μτ{sub coplanar} = (5 .5 ± 0.6 ) × 10{sup −6} cm{sup 2}/V and μτ{sub sandwich} = (1 .9 ± 0.2 ) × 10{sup −6} cm{sup 2}/V, values comparable to those of polycrystalline inorganic detectors. Moreover, alpha particles Time-of-Flight experiments have been carried out to estimate the drift mobility value. The results reported here indicate how charged-particle detectors based on OSSCs possess a great potential as low-cost, large area, solid-state direct detectors operating at room temperature. More interestingly, the good detection efficiency and peak discrimination observed for charged-particle detection in organic materials (hydrogen-rich molecules) are encouraging for their further exploitation in the detection of thermal and high-energy neutrons.

  13. Investigation of polyelectrolyte desorption by single molecule force spectroscopy

    International Nuclear Information System (INIS)

    Friedsam, C; Seitz, M; Gaub, H E

    2004-01-01

    Single molecule force spectroscopy has evolved into a powerful method for the investigation of intra- and intermolecular interactions at the level of individual molecules. Many examples, including the investigation of the dynamic properties of complex biological systems as well as the properties of covalent bonds or intermolecular transitions within individual polymers, are reported in the literature. The technique has recently been extended to the systematic investigation of desorption processes of individual polyelectrolyte molecules adsorbed on generic surfaces. The stable covalent attachment of polyelectrolyte molecules to the AFM-tip provides the possibility of performing long-term measurements with the same set of molecules and therefore allows the in situ observation of the impact of environmental changes on the adsorption behaviour of individual molecules. Different types of interactions, e.g. electrostatic or hydrophobic interactions, that determine the adsorption process could be identified and characterized. The experiments provided valuable details that help to understand the nature and the properties of non-covalent interactions, which is helpful with regard to biological systems as well as for technical applications. Apart from this, desorption experiments can be utilized to characterize the properties of surfaces or polymer coatings. Therefore they represent a versatile tool that can be further developed in terms of various aspects

  14. Transition paths in single-molecule force spectroscopy.

    Science.gov (United States)

    Cossio, Pilar; Hummer, Gerhard; Szabo, Attila

    2018-03-28

    In a typical single-molecule force spectroscopy experiment, the ends of the molecule of interest are connected by long polymer linkers to a pair of mesoscopic beads trapped in the focus of two laser beams. At constant force load, the total extension, i.e., the end-to-end distance of the molecule plus linkers, is measured as a function of time. In the simplest systems, the measured extension fluctuates about two values characteristic of folded and unfolded states, with occasional transitions between them. We have recently shown that molecular (un)folding rates can be recovered from such trajectories, with a small linker correction, as long as the characteristic time of the bead fluctuations is shorter than the residence time in the unfolded (folded) state. Here, we show that accurate measurements of the molecular transition path times require an even faster apparatus response. Transition paths, the trajectory segments in which the molecule (un)folds, are properly resolved only if the beads fluctuate more rapidly than the end-to-end distance of the molecule. Therefore, over a wide regime, the measured rates may be meaningful but not the transition path times. Analytic expressions for the measured mean transition path times are obtained for systems diffusing anisotropically on a two-dimensional free energy surface. The transition path times depend on the properties both of the molecule and of the pulling device.

  15. Raman Spectroscopy of Optically Trapped Single Biological Micro-Particles

    Science.gov (United States)

    Redding, Brandon; Schwab, Mark J.; Pan, Yong-le

    2015-01-01

    The combination of optical trapping with Raman spectroscopy provides a powerful method for the study, characterization, and identification of biological micro-particles. In essence, optical trapping helps to overcome the limitation imposed by the relative inefficiency of the Raman scattering process. This allows Raman spectroscopy to be applied to individual biological particles in air and in liquid, providing the potential for particle identification with high specificity, longitudinal studies of changes in particle composition, and characterization of the heterogeneity of individual particles in a population. In this review, we introduce the techniques used to integrate Raman spectroscopy with optical trapping in order to study individual biological particles in liquid and air. We then provide an overview of some of the most promising applications of this technique, highlighting the unique types of measurements enabled by the combination of Raman spectroscopy with optical trapping. Finally, we present a brief discussion of future research directions in the field. PMID:26247952

  16. Quantum cascade laser infrared spectroscopy of single cancer cells

    KAUST Repository

    Patel, Imran

    2017-03-27

    Quantum cascade laser infrared spectroscopy is a next generation novel imaging technique allowing high resolution spectral imaging of cells. We show after spectral pre-processing, identification of different cancer cell populations within minutes.

  17. Quantum cascade laser infrared spectroscopy of single cancer cells

    KAUST Repository

    Patel, Imran; Rajamanickam, Vijayakumar Palanisamy; Bertoncini, Andrea; Pagliari, Francesca; Tirinato, Luca; Laptenok, Sergey P.; Liberale, Carlo

    2017-01-01

    Quantum cascade laser infrared spectroscopy is a next generation novel imaging technique allowing high resolution spectral imaging of cells. We show after spectral pre-processing, identification of different cancer cell populations within minutes.

  18. Finding significantly connected voxels based on histograms of connection strengths

    DEFF Research Database (Denmark)

    Kasenburg, Niklas; Pedersen, Morten Vester; Darkner, Sune

    2016-01-01

    We explore a new approach for structural connectivity based segmentations of subcortical brain regions. Connectivity based segmentations are usually based on fibre connections from a seed region to predefined target regions. We present a method for finding significantly connected voxels based...... on the distribution of connection strengths. Paths from seed voxels to all voxels in a target region are obtained from a shortest-path tractography. For each seed voxel we approximate the distribution with a histogram of path scores. We hypothesise that the majority of estimated connections are false-positives...... and that their connection strength is distributed differently from true-positive connections. Therefore, an empirical null-distribution is defined for each target region as the average normalized histogram over all voxels in the seed region. Single histograms are then tested against the corresponding null...

  19. Single-molecule force spectroscopy: optical tweezers, magnetic tweezers and atomic force microscopy

    Science.gov (United States)

    Neuman, Keir C.; Nagy, Attila

    2012-01-01

    Single-molecule force spectroscopy has emerged as a powerful tool to investigate the forces and motions associated with biological molecules and enzymatic activity. The most common force spectroscopy techniques are optical tweezers, magnetic tweezers and atomic force microscopy. These techniques are described and illustrated with examples highlighting current capabilities and limitations. PMID:18511917

  20. Multiplexed single-molecule force spectroscopy using a centrifuge.

    Science.gov (United States)

    Yang, Darren; Ward, Andrew; Halvorsen, Ken; Wong, Wesley P

    2016-03-17

    We present a miniature centrifuge force microscope (CFM) that repurposes a benchtop centrifuge for high-throughput single-molecule experiments with high-resolution particle tracking, a large force range, temperature control and simple push-button operation. Incorporating DNA nanoswitches to enable repeated interrogation by force of single molecular pairs, we demonstrate increased throughput, reliability and the ability to characterize population heterogeneity. We perform spatiotemporally multiplexed experiments to collect 1,863 bond rupture statistics from 538 traceable molecular pairs in a single experiment, and show that 2 populations of DNA zippers can be distinguished using per-molecule statistics to reduce noise.

  1. Effects of reactive oxygen species on metabolism monitored by longitudinal 1H single voxel MRS follow-up in patients with mitochondrial disease or cerebral tumors

    International Nuclear Information System (INIS)

    Constans, J M; Collet, S; Hossu, G; Courtheoux, P; Guillamo, J S; Lechapt-Zalcman, E; Valable, S; Lacombe, S; Houee Levin, C; Gauduel, Y A; Dou, W; Ruan, S; Barre, L; Rioult, F; Derlon, J M; Chapon, F; Fong, V; Kauffmann, F

    2011-01-01

    Free radicals, or Reactive Oxygen Species (ROS), have an effect on energy and glycolytic metabolism, mitochondrial function, lipid metabolism, necrosis and apoptosis, cell proliferation, and infiltration. These changes could be monitored longitudinally (every 4 months over 6 years) in humans with glial brain tumors (low and high grade) after therapy, using conventional magnetic resonance imaging (MRI) and spectroscopy (MRS) and MR perfusion. Some examples of early clinical data from longitudinal follow-up monitoring in humans of energy and glycolytic metabolism, lipid metabolism, necrosis, proliferation, and infiltration measured by conventional MRI, MRS and perfusion, and positron emission tomography (PET) are shown in glial brain tumors after therapy. Despite the difficulty, the variability and unknown factors, these repeated measurements give us a better insight into the nature of the different processes, tumor progression and therapeutic response.

  2. Effects of reactive oxygen species on metabolism monitored by longitudinal {sup 1}H single voxel MRS follow-up in patients with mitochondrial disease or cerebral tumors

    Energy Technology Data Exchange (ETDEWEB)

    Constans, J M; Collet, S; Hossu, G; Courtheoux, P [MRI Unit, Caen University Hospital, Caen, Normandy (France); Guillamo, J S; Lechapt-Zalcman, E; Valable, S [CERVOxy Group, CI-NAPS, UMR 6232 CI-NAPS, Cyceron, Caen, Normandy (France); Lacombe, S; Houee Levin, C [Paris-Sud 11 University-CNRS, Orsay (France); Gauduel, Y A [LOA, Ecole Polytechnique - ENSTA ParisTech, Palaiseau (France); Dou, W [Tsinghua University, Beijing (China); Ruan, S [CReSTIC EA 3804, IUT Troyes, Troyes (France); Barre, L [GDMTEP, Group CI-NAPS, UMR 6232 CI-NAPS, Cyceron, Caen (France); Rioult, F [CNRS UMR 6072, GREYC, Caen, Normandy (France); Derlon, J M [Neurosurgery and Neurology, Caen University Hospital, Caen, Normandy (France); Chapon, F [Pathology, Caen University Hospital, Caen, Normandy (France); Fong, V [Caen University (France); Kauffmann, F, E-mail: constans-jm@chu-caen.fr [Mathematics LMNO CNRS UMR 6139, Caen University, Caen, Normandy (France)

    2011-01-01

    Free radicals, or Reactive Oxygen Species (ROS), have an effect on energy and glycolytic metabolism, mitochondrial function, lipid metabolism, necrosis and apoptosis, cell proliferation, and infiltration. These changes could be monitored longitudinally (every 4 months over 6 years) in humans with glial brain tumors (low and high grade) after therapy, using conventional magnetic resonance imaging (MRI) and spectroscopy (MRS) and MR perfusion. Some examples of early clinical data from longitudinal follow-up monitoring in humans of energy and glycolytic metabolism, lipid metabolism, necrosis, proliferation, and infiltration measured by conventional MRI, MRS and perfusion, and positron emission tomography (PET) are shown in glial brain tumors after therapy. Despite the difficulty, the variability and unknown factors, these repeated measurements give us a better insight into the nature of the different processes, tumor progression and therapeutic response.

  3. Photoluminescence and Raman spectroscopy of single diamond nanoparticle

    International Nuclear Information System (INIS)

    Sun, K. W.; Wang, J. Y.; Ko, T. Y.

    2008-01-01

    The article reports techniques that we have devised for immobilizing and allocating a single nanodiamond on the electron beam (E-beam) lithography patterned semiconductor substrate. By combining the E-beam patterned smart substrate with the high throughput of a confocal microscope, we are able to overcome the limitation of the spatial resolution of optical techniques (∼1 μm) to obtain the data on individual nano-object with a size range between 100 and 35 nm. We have observed a broad photoluminescence centered at about 700 nm from a single nanodiamond which is due to the defects, vacancies in the nanodiamonds, and the disordered carbon layer covered on the nanodiamond surface. We also observe red-shift in energy and broadening in linewidth of the sp 3 bonding Raman peak when the size of the single nanodiamond is reduced due to the phonon-confinement effects.

  4. Method for rapid multidiameter single-fiber reflectance and fluorescence spectroscopy through a fiber bundle

    NARCIS (Netherlands)

    Amelink, A.; Hoy, C.L.; Gamm, U.A.; Sterenborg, H.J.C.M.; Robinson, D.J.

    2014-01-01

    We have recently demonstrated a means for quantifying the absorption and scattering properties of biological tissue through multidiameter single-fiber reflectance (MDSFR) spectroscopy. These measurements can be used to correct single-fiber fluorescence (SFF) spectra for the influence of optical

  5. Ninth international conference on hole burning, single molecule and related spectroscopies: science and applications (HBSM 2006)

    International Nuclear Information System (INIS)

    2006-01-01

    This conference was organized around 9 sessions: -) single molecule, -) quantum optics, -) hole-burning materials and mechanisms, -) single nano-particle spectroscopy, -) dephasing and spectral diffusion, -) microwave photonics, -) biological systems, -) rare earth doped materials, -) novel laser sources. This document gathers only the slides of the presentations

  6. Ninth international conference on hole burning, single molecule and related spectroscopies: science and applications (HBSM 2006)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-07-01

    This conference was organized around 9 sessions: -) single molecule, -) quantum optics, -) hole-burning materials and mechanisms, -) single nano-particle spectroscopy, -) dephasing and spectral diffusion, -) microwave photonics, -) biological systems, -) rare earth doped materials, -) novel laser sources. This document gathers only the slides of the presentations.

  7. Fluorescence spectroscopy of conformational changes of single LH2 complexes

    NARCIS (Netherlands)

    Rutkauskas, D.; Novoderezhkin, V.; Cogdell, R.J.; van Grondelle, R.

    2005-01-01

    We have investigated the energy landscape of the bacterial photosynthetic peripheral light-harvesting complex LH2 of purple bacterium Rhodopseudomonas acidophila by monitoring sequences of fluorescence spectra of single LH2 assemblies, at room temperature, with different excitation intensities as

  8. Optimized Free Energies from Bidirectional Single-Molecule Force Spectroscopy

    Science.gov (United States)

    Minh, David D. L.; Adib, Artur B.

    2008-05-01

    An optimized method for estimating path-ensemble averages using data from processes driven in opposite directions is presented. Based on this estimator, bidirectional expressions for reconstructing free energies and potentials of mean force from single-molecule force spectroscopy—valid for biasing potentials of arbitrary stiffness—are developed. Numerical simulations on a model potential indicate that these methods perform better than unidirectional strategies.

  9. Spectroscopy and nonclassical fluorescence properties of single trapped Ba+ ions

    International Nuclear Information System (INIS)

    Bolle, J.

    1998-06-01

    This thesis reports on the setup and application of an experimental apparatus for spectroscopic and quantum optical investigations of a single Barium ion in a Paul trap. The realization of the apparatus, which consists of the ion trap in ultra high vacuum, two laser systems, and a photon counting detection system, is described in detail, with particular consideration of the noise sources like stray light and laser frequency instabilities. The two lasers at 493 nm and 650 nm needed to continuously excite resonance fluorescence from the Barium ion have been realized using diode lasers only. The preparation of a single localized Barium ion is described, in particular its optical cooling with the laser light and the minimization of induced vibration in the trapping potential. The purely quantum mechanical property of antibunching is observed by measuring the intensity correlation function of resonance fluorescence from the trapped and cooled ion. Interference properties of the single ion resonance fluorescence are investigated with a Mach-Zehnder interferometer. From the measured high-contrast interference signal it is proven that each individual fluorescence photon interferes with itself. The fluorescence excitation spectrum, on varying one laser frequency, is also measured and exhibits dark resonances. These measurements are compared to calculations based on optical Bloch equations for the 8 atomic levels involved. Future experiments, in particular the detection of reduced quantum fluctuations (squeezing) in one quadrature component of the resonance fluorescence, are discussed. (author)

  10. Role of proton magnetic resonance spectroscopy in diagnosis of ...

    African Journals Online (AJOL)

    Mohammed Mahmoud Donia

    2012-01-23

    Jan 23, 2012 ... Subjects and methods: This study included seven pediatric patients ... ton magnetic resonance spectroscopy was done using either single or multi-voxel technique. ... with increased NAA/Cr ratio (2.32 ± 1.1). ... Table 1 Summary of the spectroscopic MRI findings in the seven patients included in the study.

  11. Quantifying DNA melting transitions using single-molecule force spectroscopy

    International Nuclear Information System (INIS)

    Calderon, Christopher P; Chen, W-H; Harris, Nolan C; Kiang, C-H; Lin, K-J

    2009-01-01

    We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

  12. Quantifying DNA melting transitions using single-molecule force spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Calderon, Christopher P [Department of Computational and Applied Mathematics, Rice University, Houston, TX (United States); Chen, W-H; Harris, Nolan C; Kiang, C-H [Department of Physics and Astronomy, Rice University, Houston, TX (United States); Lin, K-J [Department of Chemistry, National Chung Hsing University, Taichung, Taiwan (China)], E-mail: chkiang@rice.edu

    2009-01-21

    We stretched a DNA molecule using an atomic force microscope (AFM) and quantified the mechanical properties associated with B and S forms of double-stranded DNA (dsDNA), molten DNA, and single-stranded DNA. We also fit overdamped diffusion models to the AFM time series and used these models to extract additional kinetic information about the system. Our analysis provides additional evidence supporting the view that S-DNA is a stable intermediate encountered during dsDNA melting by mechanical force. In addition, we demonstrated that the estimated diffusion models can detect dynamical signatures of conformational degrees of freedom not directly observed in experiments.

  13. [Possibilities in the differential diagnosis of brain neoplasms using the long and short time sequences of proton magnetic resonance spectroscopy

    NARCIS (Netherlands)

    Gajewicz, W.; Goraj, B.M.

    2004-01-01

    Currently to perform proton magnetic resonance spectroscopy (1H MRS) with single voxel spectroscopy (SVS) technique long and/or short echo time sequences are used in order to provide complementary information. PURPOSE: The aim of the study was to compare the usefulness of STEAM (time echo, TE, 20

  14. Differentiating the growth phases of single bacteria using Raman spectroscopy

    Science.gov (United States)

    Strola, S. A.; Marcoux, P. R.; Schultz, E.; Perenon, R.; Simon, A.-C.; Espagnon, I.; Allier, C. P.; Dinten, J.-M.

    2014-03-01

    In this paper we present a longitudinal study of bacteria metabolism performed with a novel Raman spectrometer system. Longitudinal study is possible with our Raman setup since the overall procedure to localize a single bacterium and collect a Raman spectrum lasts only 1 minute. Localization and detection of single bacteria are performed by means of lensfree imaging, whereas Raman signal (from 600 to 3200 cm-1) is collected into a prototype spectrometer that allows high light throughput (HTVS technology, Tornado Spectral System). Accomplishing time-lapse Raman spectrometry during growth of bacteria, we observed variation in the net intensities for some band groups, e.g. amides and proteins. The obtained results on two different bacteria species, i.e. Escherichia coli and Bacillus subtilis clearly indicate that growth affects the Raman chemical signature. We performed a first analysis to check spectral differences and similarities. It allows distinguishing between lag, exponential and stationary growth phases. And the assignment of interest bands to vibration modes of covalent bonds enables the monitoring of metabolic changes in bacteria caused by growth and aging. Following the spectra analysis, a SVM (support vector machine) classification of the different growth phases is presented. In sum this longitudinal study by means of a compact and low-cost Raman setup is a proof of principle for routine analysis of bacteria, in a real-time and non-destructive way. Real-time Raman studies on metabolism and viability of bacteria pave the way for future antibiotic susceptibility testing.

  15. Probing living bacterial adhesion by single cell force spectroscopy using atomic force microscopy

    DEFF Research Database (Denmark)

    Zeng, Guanghong; Ogaki, Ryosuke; Regina, Viduthalai R.

    be considered. We have therefore developed a simple and versatile method to make single-cell bacterial probes for measuring single cell adhesion with atomic force microscopy (AFM).[1] A single-cell probe was readily made by picking up a bacterial cell from a glass surface using a tipless AFM cantilever coated...... random immobilization is obtained by submerging the cantilever in a bacterial suspension. The reported method provides a general platform for investigating single cell interactions of bacteria with different surfaces and other cells by AFM force spectroscopy, thus improving our understanding....... The strain-dependent susceptibility to bacterial colonization on conventional PLL-g-PEG illustrates how bacterial diversity challenges development of “universal” antifouling coatings, and AFM single-cell force spectroscopy was proven to be a powerful tool to provide insights into the molecular mechanisms...

  16. Detection of single atoms by resonance ionization spectroscopy

    International Nuclear Information System (INIS)

    Hurst, G.S.

    1986-01-01

    Rutherford's idea for counting individual atoms can, in principle, be implemented for nearly any type of atom, whether stable or radioactive, by using methods of resonance ionization. With the RIS technique, a laser is tuned to a wavelength which will promote a valence electron in a Z-selected atom to an excited level. Additional resonance or nonresonance photoabsorption steps are used to achieve nearly 100% ionization efficiencies. Hence, the RIS process can be saturated for the Z-selected atoms; and since detectors are available for counting either single electrons or positive ions, one-atom detection is possible. Some examples are given of one-atom detection, including that of the noble gases, in order to show complementarity with AMS methods. For instance, the detection of 81 Kr using RIS has interesting applications for solar neutrino research, ice-cap dating, and groundwater dating. 39 refs., 7 figs., 2 tabs

  17. A single chip pulse processor for nuclear spectroscopy

    International Nuclear Information System (INIS)

    Hilsenrath, F.; Bakke, J.C.; Voss, H.D.

    1985-01-01

    A high performance digital pulse processor, integrated into a single gate array microcircuit, has been developed for spaceflight applications. The new approach takes advantage of the latest CMOS high speed A/D flash converters and low-power gated logic arrays. The pulse processor measures pulse height, pulse area and the required timing information (e.g. multi detector coincidence and pulse pile-up detection). The pulse processor features high throughput rate (e.g. 0.5 Mhz for 2 usec gausssian pulses) and improved differential linearity (e.g. + or - 0.2 LSB for a + or - 1 LSB A/D). Because of the parallel digital architecture of the device, the interface is microprocessor bus compatible. A satellite flight application of this module is presented for use in the X-ray imager and high energy particle spectrometers of the PEM experiment on the Upper Atmospheric Research Satellite

  18. Value of image fusion using single photon emission computed tomography with integrated low dose computed tomography in comparison with a retrospective voxel-based method in neuroendocrine tumours

    International Nuclear Information System (INIS)

    Amthauer, H.; Denecke, T.; Ruf, J.; Gutberlet, M.; Felix, R.; Lemke, A.J.; Rohlfing, T.; Boehmig, M.; Ploeckinger, U.

    2005-01-01

    The objective was the evaluation of single photon emission computed tomography (SPECT) with integrated low dose computed tomography (CT) in comparison with a retrospective fusion of SPECT and high-resolution CT and a side-by-side analysis for lesion localisation in patients with neuroendocrine tumours. Twenty-seven patients were examined by multidetector CT. Additionally, as part of somatostatin receptor scintigraphy (SRS), an integrated SPECT-CT was performed. SPECT and CT data were fused using software with a registration algorithm based on normalised mutual information. The reliability of the topographic assignment of lesions in SPECT-CT, retrospective fusion and side-by-side analysis was evaluated by two blinded readers. Two patients were not enrolled in the final analysis because of misregistrations in the retrospective fusion. Eighty-seven foci were included in the analysis. For the anatomical assignment of foci, SPECT-CT and retrospective fusion revealed overall accuracies of 91 and 94% (side-by-side analysis 86%). The correct identification of foci as lymph node manifestations (n=25) was more accurate by retrospective fusion (88%) than from SPECT-CT images (76%) or by side-by-side analysis (60%). Both modalities of image fusion appear to be well suited for the localisation of SRS foci and are superior to side-by-side analysis of non-fused images especially concerning lymph node manifestations. (orig.)

  19. Microfluidic device for continuous single cells analysis via Raman spectroscopy enhanced by integrated plasmonic nanodimers

    DEFF Research Database (Denmark)

    Perozziello, Gerardo; Candeloro, Patrizio; De Grazia, Antonio

    2016-01-01

    In this work a Raman flow cytometer is presented. It consists of a microfluidic device that takes advantages of the basic principles of Raman spectroscopy and flow cytometry. The microfluidic device integrates calibrated microfluidic channels-where the cells can flow one-by-one -, allowing single...... cell Raman analysis. The microfluidic channel integrates plasmonic nanodimers in a fluidic trapping region. In this way it is possible to perform Enhanced Raman Spectroscopy on single cell. These allow a label-free analysis, providing information about the biochemical content of membrane and cytoplasm...

  20. Localization Spectroscopy of a Single Ion in an Optical Lattice

    DEFF Research Database (Denmark)

    Legrand, Olivier Philippe Alexandre

    2015-01-01

    The work reported in this thesis primarily focuses on studies of the dynamics of a single laser-cooled ion, simultaneously confined in the harmonic potential of a linear Paul trap and a rapidly varying periodic potential – a so-called optical lattice – generated from an optical standing-wave. Bes...... as a new tool for future cavity quantum electrodynamics experiments in the Ion trap group at Aarhus University.......-wave. Besides providing a better understanding of the dynamics of an ion subjected to varying trapping conditions, this work establishes a basis for future studies of various quantum many-body physics models, for manipulations of the structure of large ion Coulomb crystals, and for optimization...... of the interaction between light and matter in connection with quantum information experiments. In addition to the deep, three-dimensional harmonic potential of the linear Paul trap which confines the ion in regions of several millimeters, one of the directions of the ion motion is constrained by the application...

  1. Time-resolved single-shot terahertz time-domain spectroscopy for ultrafast irreversible processes

    Science.gov (United States)

    Zhai, Zhao-Hui; Zhong, Sen-Cheng; Li, Jun; Zhu, Li-Guo; Meng, Kun; Li, Jiang; Liu, Qiao; Peng, Qi-Xian; Li, Ze-Ren; Zhao, Jian-Heng

    2016-09-01

    Pulsed terahertz spectroscopy is suitable for spectroscopic diagnostics of ultrafast events. However, the study of irreversible or single shot ultrafast events requires ability to record transient properties at multiple time delays, i.e., time resolved at single shot level, which is not available currently. Here by angular multiplexing use of femtosecond laser pulses, we developed and demonstrated a time resolved, transient terahertz time domain spectroscopy technique, where burst mode THz pulses were generated and then detected in a single shot measurement manner. The burst mode THz pulses contain 2 sub-THz pulses, and the time gap between them is adjustable up to 1 ns with picosecond accuracy, thus it can be used to probe the single shot event at two different time delays. The system can detect the sub-THz pulses at 0.1 THz-2.5 THz range with signal to noise ratio (SNR) of ˜400 and spectrum resolution of 0.05 THz. System design was described here, and optimizations of single shot measurement of THz pulses were discussed in detail. Methods to improve SNR were also discussed in detail. A system application was demonstrated where pulsed THz signals at different time delays of the ultrafast process were successfully acquired within single shot measurement. This time resolved transient terahertz time domain spectroscopy technique provides a new diagnostic tool for irreversible or single shot ultrafast events where dynamic information can be extracted at terahertz range within one-shot experiment.

  2. Radio frequency scanning tunneling spectroscopy for single-molecule spin resonance.

    Science.gov (United States)

    Müllegger, Stefan; Tebi, Stefano; Das, Amal K; Schöfberger, Wolfgang; Faschinger, Felix; Koch, Reinhold

    2014-09-26

    We probe nuclear and electron spins in a single molecule even beyond the electromagnetic dipole selection rules, at readily accessible magnetic fields (few mT) and temperatures (5 K) by resonant radio-frequency current from a scanning tunneling microscope. We achieve subnanometer spatial resolution combined with single-spin sensitivity, representing a 10 orders of magnitude improvement compared to existing magnetic resonance techniques. We demonstrate the successful resonant spectroscopy of the complete manifold of nuclear and electronic magnetic transitions of up to ΔI(z)=±3 and ΔJ(z)=±12 of single quantum spins in a single molecule. Our method of resonant radio-frequency scanning tunneling spectroscopy offers, atom-by-atom, unprecedented analytical power and spin control with an impact on diverse fields of nanoscience and nanotechnology.

  3. Diameter grouping in bulk samples of single-walled carbon nanotubes from optical absorption spectroscopy

    NARCIS (Netherlands)

    Golden, M.S.; Fink, J.; Dunsch, L.; Bauer, H.-D.; Reibold, M.; Knupfer, M.; Friedlein, R.; Pichler, T.; Jost, O.

    1999-01-01

    The influence of the synthesis parameters on the mean characteristics of single-wall carbon nanotubes in soot produced by the laser vaporization of graphite has been analyzed using optical absorption spectroscopy. The abundance and mean diameter of the nanotubes were found to be most influenced by

  4. Probing the local environment of a single OPE3 molecule using inelastic tunneling electron spectroscopy

    NARCIS (Netherlands)

    Frisenda, R.; Perrin, M.L.; Van der Zant, H.S.J.

    2015-01-01

    We study single-molecule oligo(phenylene ethynylene)dithiol junctions by means of inelastic electron tunneling spectroscopy (IETS). The molecule is contacted with gold nano-electrodes formed with the mechanically controllable break junction technique. We record the IETS spectrum of the molecule from

  5. ORIENTATIONAL MICRO-RAMAN SPECTROSCOPY ON HYDROXYAPATITE SINGLE-CRYSTALS AND HUMAN ENAMEL CRYSTALLITES

    NARCIS (Netherlands)

    TSUDA, H; ARENDS, J

    Single crystals of synthetic hydroxyapatite have been examined by orientational micro-Raman spectroscopy. The observed Raman bands include the PO43-/OH- internal and external. modes over the spectral range from 180 to 3600 cm(-1). The Raman-active symmetry tensors (A, E(1), and E(2)) of

  6. Bright trions in direct-bandgap silicon nanocrystals revealed bylow-temperature single-nanocrystal spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Kůsová, Kateřina; Pelant, Ivan; Valenta, J.

    2015-01-01

    Roč. 4, Oct (2015), e336 ISSN 2047-7538 R&D Projects: GA ČR(CZ) GBP108/12/G108; GA ČR GPP204/12/P235 Institutional support: RVO:68378271 Keywords : silicon nanocrystals * single-nanocrystal spectroscopy * luminescing trions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 13.600, year: 2015

  7. Elastic Properties of Nucleic Acids by Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Camunas-Soler, Joan; Ribezzi-Crivellari, Marco; Ritort, Felix

    2016-07-05

    We review the current knowledge on the use of single-molecule force spectroscopy techniques to extrapolate the elastic properties of nucleic acids. We emphasize the lesser-known elastic properties of single-stranded DNA. We discuss the importance of accurately determining the elastic response in pulling experiments, and we review the simplest models used to rationalize the experimental data as well as the experimental approaches used to pull single-stranded DNA. Applications used to investigate DNA conformational transitions and secondary structure formation are also highlighted. Finally, we provide an overview of the effects of salt and temperature and briefly discuss the effects of contour length and sequence dependence.

  8. Magnetic resonance spectroscopy: clinical application in neuroradiology

    International Nuclear Information System (INIS)

    Penev, L.

    2012-01-01

    Full text: Magnetic Resonance Spectroscopy (MRS) provides a non-invasive method of studying metabolism in vivo. Magnetic resonance spectroscopy (MRS) defines neuro chemistry on a regional basis by acquiring a radiofrequency signal with chemical shift from one or many voxels or volumes previously selected on MRI. The tissue's chemical environment determines the frequency of a metabolite peak in an MRS spectrum. Candidates for MRS include: 1 H, 31 P, 13 C, 23 Na, 7 Li, 19 F, 14 N, 15 N, 17 O, 39 K The most commonly studied nuclei are 1 H and 31 P. This lecture is focused on Proton ( 1 H) Spectroscopy. Proton MRS can be added on to conventional MR imaging protocols. It can be used to serially monitor biochemical changes in tumors, stroke, epilepsy, metabolic disorders, infections, and neurodegenerative diseases.The MR spectra do not come labeled with diagnoses. They require interpretation and should always be correlated with the MR images before making a final diagnosis. As a general rule, the single voxel, short TE technique is used to make the initial diagnosis, because the signal-to-noise is high and all metabolites are represented. Multi-voxel, long TE techniques are used to further characterize different regions of a mass and to assess brain parenchyma around or adjacent to the mass. Multi-voxel, long TE techniques are also used to assess response to therapy and to search for tumor recurrence. Each metabolite appears at a specific ppm, and each one reflects specific cellular and biochemical processes

  9. Single-Molecule Analysis of Pre-mRNA Splicing with Colocalization Single-Molecule Spectroscopy (CoSMoS).

    Science.gov (United States)

    Braun, Joerg E; Serebrov, Victor

    2017-01-01

    Recent development of single-molecule techniques to study pre-mRNA splicing has provided insights into the dynamic nature of the spliceosome. Colocalization single-molecule spectroscopy (CoSMoS) allows following spliceosome assembly in real time at single-molecule resolution in the full complexity of cellular extracts. A detailed protocol of CoSMoS has been published previously (Anderson and Hoskins, Methods Mol Biol 1126:217-241, 2014). Here, we provide an update on the technical advances since the first CoSMoS studies including slide surface treatment, data processing, and representation. We describe various labeling strategies to generate RNA reporters with multiple dyes (or other moieties) at specific locations.

  10. Evaluation of the ID220 single photon avalanche diode for extended spectral range of photon time-of-flight spectroscopy

    DEFF Research Database (Denmark)

    Nielsen, Otto Højager Attermann; Dahl, Anders Bjorholm; Anderson-Engels, Stefan

    This paper describe the performance of the ID220 single photon avalanche diode for single photon counting, and investigates its performance for photon time-of-flight (PToF) spectroscopy. At first this report will serve as a summary to the group for PToF spectroscopy at the Department of Physics...

  11. Atomic force microscopy and spectroscopy to probe single membrane proteins in lipid bilayers.

    Science.gov (United States)

    Sapra, K Tanuj

    2013-01-01

    The atomic force microscope (AFM) has opened vast avenues hitherto inaccessible to the biological scientist. The high temporal (millisecond) and spatial (nanometer) resolutions of the AFM are suited for studying many biological processes in their native conditions. The AFM cantilever stylus is aptly termed as a "lab on a tip" owing to its versatility as an imaging tool as well as a handle to manipulate single bonds and proteins. Recent examples assert that the AFM can be used to study the mechanical properties and monitor processes of single proteins and single cells, thus affording insight into important mechanistic details. This chapter specifically focuses on practical and analytical protocols of single-molecule AFM methodologies related to high-resolution imaging and single-molecule force spectroscopy of membrane proteins. Both these techniques are operator oriented, and require specialized working knowledge of the instrument, theoretical, and practical skills.

  12. Single-Crystalline cooperite (PtS): Crystal-Chemical characterization, ESR spectroscopy, and {sup 195}Pt NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rozhdestvina, V. I., E-mail: veronika@ascnet.ru; Ivanov, A. V.; Zaremba, M. A. [Far East Division, Russian Academy of Sciences, Institute of Geology and Nature Management (Russian Federation); Antsutkin, O. N.; Forsling, W. [Lulea University of Technology (Sweden)

    2008-05-15

    Single-crystalline cooperite (PtS) with a nearly stoichiometric composition was characterized in detail by X-ray diffraction, electron-probe X-ray microanalysis, and high-resolution scanning electron microscopy. For the first time it was demonstrated that {sup 195}Pt static and MAS NMR spectroscopy can be used for studying natural platinum minerals. The {sup 195}Pt chemical-shift tensor of cooperite was found to be consistent with the axial symmetry and is characterized by the following principal values: {delta}{sub xx} = -5920 ppm, {delta}{sub yy} = -3734 ppm, {delta}{sub zz} = +4023 ppm, and {delta}{sub iso} = -1850 ppm. According to the ESR data, the samples of cooperite contain copper(II), which is adsorbed on the surface during the layer-by-layer crystal growth and is not involved in the crystal lattice.

  13. Silicon photon-counting avalanche diodes for single-molecule fluorescence spectroscopy

    Science.gov (United States)

    Michalet, Xavier; Ingargiola, Antonino; Colyer, Ryan A.; Scalia, Giuseppe; Weiss, Shimon; Maccagnani, Piera; Gulinatti, Angelo; Rech, Ivan; Ghioni, Massimo

    2014-01-01

    Solution-based single-molecule fluorescence spectroscopy is a powerful experimental tool with applications in cell biology, biochemistry and biophysics. The basic feature of this technique is to excite and collect light from a very small volume and work in a low concentration regime resulting in rare burst-like events corresponding to the transit of a single molecule. Detecting photon bursts is a challenging task: the small number of emitted photons in each burst calls for high detector sensitivity. Bursts are very brief, requiring detectors with fast response time and capable of sustaining high count rates. Finally, many bursts need to be accumulated to achieve proper statistical accuracy, resulting in long measurement time unless parallelization strategies are implemented to speed up data acquisition. In this paper we will show that silicon single-photon avalanche diodes (SPADs) best meet the needs of single-molecule detection. We will review the key SPAD parameters and highlight the issues to be addressed in their design, fabrication and operation. After surveying the state-of-the-art SPAD technologies, we will describe our recent progress towards increasing the throughput of single-molecule fluorescence spectroscopy in solution using parallel arrays of SPADs. The potential of this approach is illustrated with single-molecule Förster resonance energy transfer measurements. PMID:25309114

  14. DTI analysis methods : Voxel-based analysis

    NARCIS (Netherlands)

    Van Hecke, Wim; Leemans, Alexander; Emsell, Louise

    2016-01-01

    Voxel-based analysis (VBA) of diffusion tensor imaging (DTI) data permits the investigation of voxel-wise differences or changes in DTI metrics in every voxel of a brain dataset. It is applied primarily in the exploratory analysis of hypothesized group-level alterations in DTI parameters, as it does

  15. Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal

    1968-01-01

    This booklet discusses spectroscopy, the study of absorption of radiation by matter, including X-ray, gamma-ray, microwave, mass spectroscopy, as well as others. Spectroscopy has produced more fundamental information to the study of the detailed structure of matter than any other tools.

  16. Microfluidic device for continuous single cells analysis via Raman spectroscopy enhanced by integrated plasmonic nanodimers

    KAUST Repository

    Perozziello, Gerardo

    2015-12-11

    In this work a Raman flow cytometer is presented. It consists of a microfluidic device that takes advantages of the basic principles of Raman spectroscopy and flow cytometry. The microfluidic device integrates calibrated microfluidic channels- where the cells can flow one-by-one -, allowing single cell Raman analysis. The microfluidic channel integrates plasmonic nanodimers in a fluidic trapping region. In this way it is possible to perform Enhanced Raman Spectroscopy on single cell. These allow a label-free analysis, providing information about the biochemical content of membrane and cytoplasm of the each cell. Experiments are performed on red blood cells (RBCs), peripheral blood lymphocytes (PBLs) and myelogenous leukemia tumor cells (K562). © 2015 Optical Society of America.

  17. Ramsey spectroscopy by direct use of resonant light on isotope atoms for single-photon detuning

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Hoon; Choi, Mi Hyun; Moon, Ye Lin; Kim, Seung Jin; Kim, Jung Bog [Korea National University of Education, Cheongwon (Korea, Republic of)

    2014-03-15

    We demonstrate Ramsey spectroscopy with cold {sup 87}Rb atoms via a two-photon Raman process. One laser beam has a cross-over resonant frequency on the {sup 85}Rb transition and the other beam has a 6.8 GHz shifted frequency. These two laser beams fulfill the two-photon Raman resonance condition, which involves a single-photon detuning of -2.6 GHz. By implementing these two lasers on cold {sup 87}Rb atoms, we demonstrate Ramsey spectroscopy with an interrogation time of the intermediate state by using π/2 Raman pulses. In our laser system, we can change the single-photon detuning to 1.2, 4.2 or -5.6 GHz by changing the {sup 85}Rb transition line used as a locking signal and an injected sideband. The laser system that directly uses resonant light on isotope atoms will be described in this paper.

  18. Quantifying bacterial adhesion on antifouling polymer brushes via single-cell force spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Rodriguez-Emmenegger, Cesar; Janel, S.; de los Santos Pereira, Andres; Bruns, M.; Lafont, F.

    2015-01-01

    Roč. 6, č. 31 (2015), s. 5740-5751 ISSN 1759-9954 R&D Projects: GA ČR(CZ) GJ15-09368Y; GA MŠk(CZ) ED1.1.00/02.0109 Grant - others:OPPK(XE) CZ.2.16/3.1.00/21545 Program:OPPK Institutional support: RVO:61389013 Keywords : antifouling polymer brushes * single-cell force spectroscopy * bacterial adhesion Subject RIV: BO - Biophysics Impact factor: 5.687, year: 2015

  19. Spectroscopy

    CERN Document Server

    Walker, S

    1976-01-01

    The three volumes of Spectroscopy constitute the one comprehensive text available on the principles, practice and applications of spectroscopy. By giving full accounts of those spectroscopic techniques only recently introduced into student courses - such as Mössbauer spectroscopy and photoelectron spectroscopy - in addition to those techniques long recognised as being essential in chemistry teaching - sucha as e.s.r. and infrared spectroscopy - the book caters for the complete requirements of undergraduate students and at the same time provides a sound introduction to special topics for graduate students.

  20. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  1. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

    Science.gov (United States)

    Fushitani, Mizuho; Hishikawa, Akiyoshi

    2016-11-01

    We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

  2. Quantitative multivoxel H-1 MR spectroscopy of the brain in children with acute liver failure

    NARCIS (Netherlands)

    Sijens, Paul E.; Alkefaji, Heyder; Lunsing, Roelineke J.; van Spronsen, Francjan J.; Meiners, Linda C.; Oudkerk, Matthijs; Verkade, Henkjan J.

    Acute liver failure (ALF)-related encephalopathy was previously characterized by MR spectroscopy of single voxels containing both grey and white matter brain tissue. Quantitative multivoxel MRS was used here to compare grey and white matter brain tissue concentrations of glutamate/glutamine (Glx)

  3. Voxel inversion of airborne electromagnetic data for improved model integration

    Science.gov (United States)

    Fiandaca, Gianluca; Auken, Esben; Kirkegaard, Casper; Vest Christiansen, Anders

    2014-05-01

    Inversion of electromagnetic data has migrated from single site interpretations to inversions including entire surveys using spatial constraints to obtain geologically reasonable results. Though, the model space is usually linked to the actual observation points. For airborne electromagnetic (AEM) surveys the spatial discretization of the model space reflects the flight lines. On the contrary, geological and groundwater models most often refer to a regular voxel grid, not correlated to the geophysical model space, and the geophysical information has to be relocated for integration in (hydro)geological models. We have developed a new geophysical inversion algorithm working directly in a voxel grid disconnected from the actual measuring points, which then allows for informing directly geological/hydrogeological models. The new voxel model space defines the soil properties (like resistivity) on a set of nodes, and the distribution of the soil properties is computed everywhere by means of an interpolation function (e.g. inverse distance or kriging). Given this definition of the voxel model space, the 1D forward responses of the AEM data are computed as follows: 1) a 1D model subdivision, in terms of model thicknesses, is defined for each 1D data set, creating "virtual" layers. 2) the "virtual" 1D models at the sounding positions are finalized by interpolating the soil properties (the resistivity) in the center of the "virtual" layers. 3) the forward response is computed in 1D for each "virtual" model. We tested the new inversion scheme on an AEM survey carried out with the SkyTEM system close to Odder, in Denmark. The survey comprises 106054 dual mode AEM soundings, and covers an area of approximately 13 km X 16 km. The voxel inversion was carried out on a structured grid of 260 X 325 X 29 xyz nodes (50 m xy spacing), for a total of 2450500 inversion parameters. A classical spatially constrained inversion (SCI) was carried out on the same data set, using 106054

  4. Optical trapping and Raman spectroscopy of single nanostructures using standing-wave Raman tweezers

    Science.gov (United States)

    Wu, Mu-ying; He, Lin; Chen, Gui-hua; Yang, Guang; Li, Yong-qing

    2017-08-01

    Optical tweezers integrated with Raman spectroscopy allows analyzing a single trapped micro-particle, but is generally less effective for individual nano-sized objects in the 10-100 nm range. The main challenge is the weak gradient force on nanoparticles that is insufficient to overcome the destabilizing effect of scattering force and Brownian motion. Here, we present standing-wave Raman tweezers for stable trapping and sensitive characterization of single isolated nanostructures with a low laser power by combining a standing-wave optical trap (SWOT) with confocal Raman spectroscopy. This scheme has stronger intensity gradients and balanced scattering forces, and thus is more stable and sensitive in measuring nanoparticles in liquid with 4-8 fold increase in the Raman signals. It can be used to analyze many nanoparticles that cannot be measured with single-beam Raman tweezers, including individual single-walled carbon nanotubes (SWCNT), graphene flakes, biological particles, polystyrene beads (100 nm), SERS-active metal nanoparticles, and high-refractive semiconductor nanoparticles with a low laser power of a few milliwatts. This would enable sorting and characterization of specific SWCNTs and other nanoparticles based on their increased Raman fingerprints.

  5. Single-Molecule Chemistry with Surface- and Tip-Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Zrimsek, Alyssa B; Chiang, Naihao; Mattei, Michael; Zaleski, Stephanie; McAnally, Michael O; Chapman, Craig T; Henry, Anne-Isabelle; Schatz, George C; Van Duyne, Richard P

    2017-06-14

    Single-molecule (SM) surface-enhanced Raman spectroscopy (SERS) and tip-enhanced Raman spectroscopy (TERS) have emerged as analytical techniques for characterizing molecular systems in nanoscale environments. SERS and TERS use plasmonically enhanced Raman scattering to characterize the chemical information on single molecules. Additionally, TERS can image single molecules with subnanometer spatial resolution. In this review, we cover the development and history of SERS and TERS, including the concept of SERS hot spots and the plasmonic nanostructures necessary for SM detection, the past and current methodologies for verifying SMSERS, and investigations into understanding the signal heterogeneities observed with SMSERS. Moving on to TERS, we cover tip fabrication and the physical origins of the subnanometer spatial resolution. Then, we highlight recent advances of SMSERS and TERS in fields such as electrochemistry, catalysis, and SM electronics, which all benefit from the vibrational characterization of single molecules. SMSERS and TERS provide new insights on molecular behavior that would otherwise be obscured in an ensemble-averaged measurement.

  6. Raman tweezers spectroscopy of live, single red and white blood cells.

    Directory of Open Access Journals (Sweden)

    Aseefhali Bankapur

    Full Text Available An optical trap has been combined with a Raman spectrometer to make high-resolution measurements of Raman spectra of optically-immobilized, single, live red (RBC and white blood cells (WBC under physiological conditions. Tightly-focused, near infrared wavelength light (1064 nm is utilized for trapping of single cells and 785 nm light is used for Raman excitation at low levels of incident power (few mW. Raman spectra of RBC recorded using this high-sensitivity, dual-wavelength apparatus has enabled identification of several additional lines; the hitherto-unreported lines originate purely from hemoglobin molecules. Raman spectra of single granulocytes and lymphocytes are interpreted on the basis of standard protein and nucleic acid vibrational spectroscopy data. The richness of the measured spectrum illustrates that Raman studies of live cells in suspension are more informative than conventional micro-Raman studies where the cells are chemically bound to a glass cover slip.

  7. Tetrairon(III) Single Molecule Magnet Studied by Scanning Tunneling Microscopy and Spectroscopy

    Science.gov (United States)

    Oh, Youngtek; Jeong, Hogyun; Lee, Minjun; Kwon, Jeonghoon; Yu, Jaejun; Mamun, Shariful Islam; Gupta, Gajendra; Kim, Jinkwon; Kuk, Young

    2011-03-01

    Tetrairon(III) single-molecule magnet (SMM) on a clean Au(111) has studied using scanning tunneling microscopy (STM) and spectroscopy (STS) to understand quantum mechanical tunneling of magnetization and hysteresis of pure molecular origin. Before the STM studies, elemental analysis, proton nuclear magnetic resonance (NMR) measurement and Energy Dispersive X- ray Spectroscopy (EDS) were carried out to check the robustness of the sample. The STM image of this molecule shows a hexagonal shape, with a phenyl ring at the center and surrounding six dipivaloylmethane ligands. Two peaks are observed at 0.5 eV, 1.5 eV in the STS results, agreeing well with the first principles calculations. Spin-polarized scanning tunneling microscopy (SPSTM) measurements have been performed with a magnetic tip to get the magnetization image of the SMM. We could observe the antiferromagnetic coupling and a centered- triangular topology with six alkoxo bridges inside the molecule while applying external magnetic fields.

  8. Functionalization of gold and nanocrystalline diamond atomic force microscope tips for single molecule force spectroscopy

    Science.gov (United States)

    Drew, Michael E.

    The atomic force microscope (AFM) has fueled interest in nanotechnology because of its ability to image surfaces at the nanometer level and act as a molecular force sensor. Functionalization of the surface of an AFM tip surface in a stable, controlled manner expands the capabilities of the AFM and enables additional applications in the fields of single molecule force spectroscopy and nanolithography. Two AFM tip functionalizations are described: the assembly of tripodal molecular tips onto gold AFM tips and the photochemical attachment of terminal alkenes to nanocrystalline diamond (NCD) AFM tips. Two separate tripodal molecules with different linker lengths and a monopodal molecule terminated with biotin were synthesized to attach to a gold AFM tip for single molecule force spectroscopy. The immobilization of these molecules was examined by contact angle measurements, spectroscopic ellipsometry, infrared, and near edge x-ray absorption fine structure (NEXAFS) spectroscopy. All three molecules displayed rupture forces that agreed with previously reported values for the biotin--avidin rupture. The tripodal molecular tip displayed narrower distribution in their force histograms than the monopodal molecular tip. The performance of the tripodal molecular tip was compared to the monopodal molecular tip in single molecule force spectroscopy studies. Over repeated measurements, the distribution of forces for the monopodal molecular tip shifted to lower forces, whereas the distribution for the tripodal molecular tip remained constant throughout. Loading rate dependence and control experiments further indicated that the rupture forces of the tripod molecular tips were specific to the biotin--NeutrAvidin interaction. The second functionalization method used the photochemical attachment of undecylenic acid to NCD AFM tips. The photochemical attachment of undecylenic acid to hydrogen-terminated NCD wafer surfaces was investigated by contact angle measurements, x

  9. Single molecule force spectroscopy at high data acquisition: A Bayesian nonparametric analysis

    Science.gov (United States)

    Sgouralis, Ioannis; Whitmore, Miles; Lapidus, Lisa; Comstock, Matthew J.; Pressé, Steve

    2018-03-01

    Bayesian nonparametrics (BNPs) are poised to have a deep impact in the analysis of single molecule data as they provide posterior probabilities over entire models consistent with the supplied data, not just model parameters of one preferred model. Thus they provide an elegant and rigorous solution to the difficult problem encountered when selecting an appropriate candidate model. Nevertheless, BNPs' flexibility to learn models and their associated parameters from experimental data is a double-edged sword. Most importantly, BNPs are prone to increasing the complexity of the estimated models due to artifactual features present in time traces. Thus, because of experimental challenges unique to single molecule methods, naive application of available BNP tools is not possible. Here we consider traces with time correlations and, as a specific example, we deal with force spectroscopy traces collected at high acquisition rates. While high acquisition rates are required in order to capture dwells in short-lived molecular states, in this setup, a slow response of the optical trap instrumentation (i.e., trapped beads, ambient fluid, and tethering handles) distorts the molecular signals introducing time correlations into the data that may be misinterpreted as true states by naive BNPs. Our adaptation of BNP tools explicitly takes into consideration these response dynamics, in addition to drift and noise, and makes unsupervised time series analysis of correlated single molecule force spectroscopy measurements possible, even at acquisition rates similar to or below the trap's response times.

  10. Spectroscopy of size dependent many-particle effects in single self-assembled semiconductor quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Dal Savio, C.

    2006-02-20

    Single InAs quantum dots (QDs) grown with the Stranski-Krastanov method in a In{sub 0.12}Ga{sub 0.88}As quantum well embedded in GaAs and emitting in the near infrared have been optically investigated. To perform QD spectroscopy at low temperatures a very stable micro-photoluminescence ({mu}-PL) microscope set-up fully integrated in a liquid helium (LHe) cryostate has been successfully developed. The system is based on the cold finger technique and a Fourier Transform (FT) spectrometer combined with a nitrogen cooled Ge detector. Photoluminescence of the QDs was excited non resonantly with a He-Ne laser and single dot spectroscopy was carried out at temperatures below 60 K. The experimental set-up allows mapping of the optical emission by recording spectra for every point of a scan grid. This mapping mode is used to acquire optical images and to locate a particular dot for investigation. Series of measurement on a single QD were normally performed over a long time (from a few days to a week), with the need of daily adjustment in the sub-micrometer range. At low excitation power a single sharp line (E{sub x}) arising from recombination of a single exciton in the dot is observed. Varying the excitation density the spectra become more complex, with appearance of the biexciton emission line (E{sub xx}) on the lower energies side of the E{sub x} line, followed by emission from excitons occupying higher shells in the dot. Measured biexciton binding energies and power dependence are in good agreement with values reported in the literature. The temperature dependence of the optical emission was investigated. The energy shows the characteristic decrease related to the shrinking of the semiconductor band gap, while the linewidth evolution is compatible with broadening due to coupling with acoustic and optical phonons. A statistics of biexciton binding energies over a dozen of dots was acquired and the results compared with single QD spectroscopy data available in the

  11. Application of electron energy loss spectroscopy for single wall carbon nanotubes (review)

    International Nuclear Information System (INIS)

    Mittal, N.; Jain, S.; Mittal, J.

    2015-01-01

    Electron energy loss spectroscopy (EELS) is among the few techniques that are available for the characterization of modified single wall carbon nanotubes (SWCNTs) having nanometer dimensions (~1-3 nm). CNTs can be modified either by surface functionalization or coating, between bundles of nanotubes by doping, intercalation and fully or partially filling the central core. EELS is an exclusive technique for the identification, composition analysis, and crystallization studies of the chemicals and materials used for the modification of SWCNTs. The present paper serves as a compendium of research work on the application of EELS for the characterization of modified SWCNTs. (authors)

  12. Communication: atomic force detection of single-molecule nonlinear optical vibrational spectroscopy.

    Science.gov (United States)

    Saurabh, Prasoon; Mukamel, Shaul

    2014-04-28

    Atomic Force Microscopy (AFM) allows for a highly sensitive detection of spectroscopic signals. This has been first demonstrated for NMR of a single molecule and recently extended to stimulated Raman in the optical regime. We theoretically investigate the use of optical forces to detect time and frequency domain nonlinear optical signals. We show that, with proper phase matching, the AFM-detected signals closely resemble coherent heterodyne-detected signals. Applications are made to AFM-detected and heterodyne-detected vibrational resonances in Coherent Anti-Stokes Raman Spectroscopy (χ((3))) and sum or difference frequency generation (χ((2))).

  13. Spectroscopy

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules.......This introductory booklet covers the basics of molecular spectroscopy, infrared and Raman methods, instrumental considerations, symmetry analysis of molecules, group theory and selection rules, as well as assignments of fundamental vibrational modes in molecules....

  14. Probing the local environment of a single OPE3 molecule using inelastic tunneling electron spectroscopy.

    Science.gov (United States)

    Frisenda, Riccardo; Perrin, Mickael L; van der Zant, Herre S J

    2015-01-01

    We study single-molecule oligo(phenylene ethynylene)dithiol junctions by means of inelastic electron tunneling spectroscopy (IETS). The molecule is contacted with gold nano-electrodes formed with the mechanically controllable break junction technique. We record the IETS spectrum of the molecule from direct current measurements, both as a function of time and electrode separation. We find that for fixed electrode separation the molecule switches between various configurations, which are characterized by different IETS spectra. Similar variations in the IETS signal are observed during atomic rearrangements upon stretching of the molecular junction. Using quantum chemistry calculations, we identity some of the vibrational modes which constitute a chemical fingerprint of the molecule. In addition, changes can be attributed to rearrangements of the local molecular environment, in particular at the molecule-electrode interface. This study shows the importance of taking into account the interaction with the electrodes when describing inelastic contributions to transport through single-molecule junctions.

  15. Laser writing of single-crystalline gold substrates for surface enhanced Raman spectroscopy

    Science.gov (United States)

    Singh, Astha; Sharma, Geeta; Ranjan, Neeraj; Mittholiya, Kshitij; Bhatnagar, Anuj; Singh, B. P.; Mathur, Deepak; Vasa, Parinda

    2017-07-01

    Surface enhanced Raman scattering (SERS) spectroscopy, a powerful contemporary tool for studying low-concentration analytes via surface plasmon induced enhancement of local electric field, is of utility in biochemistry, material science, threat detection, and environmental studies. We have developed a simple, fast, scalable, and relatively low-cost optical method of fabricating and characterizing large-area, reusable and broadband SERS substrates with long storage lifetime. We use tightly focused, intense infra-red laser pulses to write gratings on single-crystalline, Au (1 1 1) gold films on mica which act as SERS substrates. Our single-crystalline SERS substrates compare favourably, in terms of surface quality and roughness, to those fabricated in poly-crystalline Au films. Tests show that our SERS substrates have the potential of detecting urea and 1,10-phenantroline adulterants in milk and water, respectively, at 0.01 ppm (or lower) concentrations.

  16. Application of laser tweezers Raman spectroscopy techniques to the monitoring of single cell response to stimuli

    Science.gov (United States)

    Chan, James W.; Liu, Rui; Matthews, Dennis L.

    2012-06-01

    Laser tweezers Raman spectroscopy (LTRS) combines optical trapping with micro-Raman spectroscopy to enable label-free biochemical analysis of individual cells and small biological particles in suspension. The integration of the two technologies greatly simplifies the sample preparation and handling of suspension cells for spectroscopic analysis in physiologically meaningful conditions. In our group, LTRS has been used to study the effects of external perturbations, both chemical and mechanical, on the biochemistry of the cell. Single cell dynamics can be studied by performing longitudinal studies to continuously monitor the response of the cell as it interacts with its environment. The ability to carry out these measurements in-vitro makes LTRS an attractive tool for many biomedical applications. Here, we discuss the use of LTRS to study the response of cancer cells to chemotherapeutics and bacteria cells to antibiotics and show that the life cycle and apoptosis of the cells can be detected. These results show the promise of LTRS for drug discovery/screening, antibiotic susceptibility testing, and chemotherapy response monitoring applications. In separate experiments, we study the response of red blood cells to the mechanical forces imposed on the cell by the optical tweezers. A laser power dependent deoxygenation of the red blood cell in the single beam trap is reported. Normal, sickle cell, and fetal red blood cells have a different behavior that enables the discrimination of the cell types based on this mechanochemical response. These results show the potential utility of LTRS for diagnosing and studying red blood cell diseases.

  17. Quantifying cellular mechanics and adhesion in renal tubular injury using single cell force spectroscopy.

    Science.gov (United States)

    Siamantouras, Eleftherios; Hills, Claire E; Squires, Paul E; Liu, Kuo-Kang

    2016-05-01

    Tubulointerstitial fibrosis represents the major underlying pathology of diabetic nephropathy where loss of cell-to-cell adhesion is a critical step. To date, research has predominantly focussed on the loss of cell surface molecular binding events that include altered protein ligation. In the current study, atomic force microscopy single cell force spectroscopy (AFM-SCFS) was used to quantify changes in cellular stiffness and cell adhesion in TGF-β1 treated kidney cells of the human proximal tubule (HK2). AFM indentation of TGF-β1 treated HK2 cells showed a significant increase (42%) in the elastic modulus (stiffness) compared to control. Fluorescence microscopy confirmed that increased cell stiffness is accompanied by reorganization of the cytoskeleton. The corresponding changes in stiffness, due to F-actin rearrangement, affected the work of detachment by changing the separation distance between two adherent cells. Overall, our novel data quantitatively demonstrate a correlation between cellular elasticity, adhesion and early morphologic/phenotypic changes associated with tubular injury. Diabetes affects many patients worldwide. One of the long term problems is diabetic nephropathy. Here, the authors utilized atomic force microscopy single cell force spectroscopy (AFM- SCFS) to study cellular stiffness and cell adhesion after TGF1 treatment in human proximal tubule kidney cells. The findings would help further understand the overall disease mechanism in diabetic patients. Copyright © 2015 Elsevier Inc. All rights reserved.

  18. Force spectroscopy studies on protein-ligand interactions: a single protein mechanics perspective.

    Science.gov (United States)

    Hu, Xiaotang; Li, Hongbin

    2014-10-01

    Protein-ligand interactions are ubiquitous and play important roles in almost every biological process. The direct elucidation of the thermodynamic, structural and functional consequences of protein-ligand interactions is thus of critical importance to decipher the mechanism underlying these biological processes. A toolbox containing a variety of powerful techniques has been developed to quantitatively study protein-ligand interactions in vitro as well as in living systems. The development of atomic force microscopy-based single molecule force spectroscopy techniques has expanded this toolbox and made it possible to directly probe the mechanical consequence of ligand binding on proteins. Many recent experiments have revealed how ligand binding affects the mechanical stability and mechanical unfolding dynamics of proteins, and provided mechanistic understanding on these effects. The enhancement effect of mechanical stability by ligand binding has been used to help tune the mechanical stability of proteins in a rational manner and develop novel functional binding assays for protein-ligand interactions. Single molecule force spectroscopy studies have started to shed new lights on the structural and functional consequence of ligand binding on proteins that bear force under their biological settings. Copyright © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  19. Proton MR spectroscopy in solitary pulmonary nodules: a preliminary study

    International Nuclear Information System (INIS)

    Yang Chunshan; Xiao Xiangsheng; Li Huimin; Liu Shiyuan; Li Chengzhou; Li Shenjiang

    2005-01-01

    Objective: To study the characteristics and the regularities of the metabolites in solitary pulmonary nodules with proton MR spectroscopy, and to investigate the clinical value of MR spectroscopy in differentiating benign from malignant pulmonary nodules. Methods: Sixty-nine patients with solitary pulmonary nodules underwent routine MRI and single-voxel MR spectroscopy using Siemens Vision 1.5 T MR system. MR spectroscopy characteristics and parameters of the metabolites were observed and recorded. Ten pathologic specimens were examined with single-voxel MR spectroscopy. The MR spectroscopy results of the pathologic specimens were compared with those of the solitary pulmonary nodules in vivo. Results: The Cho peak (2.86 ± 1.89) of the malignant nodules was higher than that of the inflammatory (0.87 ± 0.74), tuberculous nodules (0.97 ± 1.09), and hamartoma (0.42 ± 0.53) (P 0.05). Conclusion: MR spectroscopy is reliable in evaluating pulmonary nodules in vivo. The Cho peak, Cho/Cr, and Lac peak of the malignant nodules were higher than those of inflammatory, tuberculous nodules, and hamartoma. MR spectroscopy is helpful in differentiating benign from malignant pulmonary nodules. (authors)

  20. The Improved Relevance Voxel Machine

    DEFF Research Database (Denmark)

    Ganz, Melanie; Sabuncu, Mert; Van Leemput, Koen

    The concept of sparse Bayesian learning has received much attention in the machine learning literature as a means of achieving parsimonious representations of features used in regression and classification. It is an important family of algorithms for sparse signal recovery and compressed sensing....... Hence in its current form it is reminiscent of a greedy forward feature selection algorithm. In this report, we aim to solve the problems of the original RVoxM algorithm in the spirit of [7] (FastRVM).We call the new algorithm Improved Relevance Voxel Machine (IRVoxM). Our contributions...... and enables basis selection from overcomplete dictionaries. One of the trailblazers of Bayesian learning is MacKay who already worked on the topic in his PhD thesis in 1992 [1]. Later on Tipping and Bishop developed the concept of sparse Bayesian learning [2, 3] and Tipping published the Relevance Vector...

  1. Spectrally Resolved and Functional Super-resolution Microscopy via Ultrahigh-Throughput Single-Molecule Spectroscopy.

    Science.gov (United States)

    Yan, Rui; Moon, Seonah; Kenny, Samuel J; Xu, Ke

    2018-03-20

    As an elegant integration of the spatial and temporal dimensions of single-molecule fluorescence, single-molecule localization microscopy (SMLM) overcomes the diffraction-limited resolution barrier of optical microscopy by localizing single molecules that stochastically switch between fluorescent and dark states over time. While this type of super-resolution microscopy (SRM) technique readily achieves remarkable spatial resolutions of ∼10 nm, it typically provides no spectral information. Meanwhile, current scanning-based single-location approaches for mapping the positions and spectra of single molecules are limited by low throughput and are difficult to apply to densely labeled (bio)samples. In this Account, we summarize the rationale, design, and results of our recent efforts toward the integration of the spectral dimension of single-molecule fluorescence with SMLM to achieve spectrally resolved SMLM (SR-SMLM) and functional SRM ( f-SRM). By developing a wide-field scheme for spectral measurement and implementing single-molecule fluorescence on-off switching typical of SMLM, we first showed that in densely labeled (bio)samples it is possible to record the fluorescence spectra and positions of millions of single molecules synchronously within minutes, giving rise to ultrahigh-throughput single-molecule spectroscopy and SR-SMLM. This allowed us to first show statistically that for many dyes, single molecules of the same species exhibit near identical emission in fixed cells. This narrow distribution of emission wavelengths, which contrasts markedly with previous results at solid surfaces, allowed us to unambiguously identify single molecules of spectrally similar dyes. Crosstalk-free, multiplexed SRM was thus achieved for four dyes that were merely 10 nm apart in emission spectrum, with the three-dimensional SRM images of all four dyes being automatically aligned within one image channel. The ability to incorporate single-molecule fluorescence measurement with

  2. Probing static disorder in Arrhenius kinetics by single-molecule force spectroscopy.

    Science.gov (United States)

    Kuo, Tzu-Ling; Garcia-Manyes, Sergi; Li, Jingyuan; Barel, Itay; Lu, Hui; Berne, Bruce J; Urbakh, Michael; Klafter, Joseph; Fernández, Julio M

    2010-06-22

    The widely used Arrhenius equation describes the kinetics of simple two-state reactions, with the implicit assumption of a single transition state with a well-defined activation energy barrier DeltaE, as the rate-limiting step. However, it has become increasingly clear that the saddle point of the free-energy surface in most reactions is populated by ensembles of conformations, leading to nonexponential kinetics. Here we present a theory that generalizes the Arrhenius equation to include static disorder of conformational degrees of freedom as a function of an external perturbation to fully account for a diverse set of transition states. The effect of a perturbation on static disorder is best examined at the single-molecule level. Here we use force-clamp spectroscopy to study the nonexponential kinetics of single ubiquitin proteins unfolding under force. We find that the measured variance in DeltaE shows both force-dependent and independent components, where the force-dependent component scales with F(2), in excellent agreement with our theory. Our study illustrates a novel adaptation of the classical Arrhenius equation that accounts for the microscopic origins of nonexponential kinetics, which are essential in understanding the rapidly growing body of single-molecule data.

  3. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes

    Science.gov (United States)

    Pirrotta, Alessandro; De Vico, Luca; Solomon, Gemma C.; Franco, Ignacio

    2017-03-01

    The emerging ability to study physical properties at the single-molecule limit highlights the disparity between what is observable in an ensemble of molecules and the heterogeneous contributions of its constituent parts. A particularly convenient platform for single-molecule studies are molecular junctions where forces and voltages can be applied to individual molecules, giving access to a series of electromechanical observables that can form the basis of highly discriminating multidimensional single-molecule spectroscopies. Here, we computationally examine the ability of force and conductance to inform about molecular recognition events at the single-molecule limit. For this, we consider the force-conductance characteristics of a prototypical class of hydrogen bonded bimolecular complexes sandwiched between gold electrodes. The complexes consist of derivatives of a barbituric acid and a Hamilton receptor that can form up to six simultaneous hydrogen bonds. The simulations combine classical molecular dynamics of the mechanical deformation of the junction with non-equilibrium Green's function computations of the electronic transport. As shown, in these complexes hydrogen bonds mediate transport either by directly participating as a possible transport pathway or by stabilizing molecular conformations with enhanced conductance properties. Further, we observe that force-conductance correlations can be very sensitive to small changes in the chemical structure of the complexes and provide detailed information about the behavior of single molecules that cannot be gleaned from either measurement alone. In fact, there are regions during the elongation that are only mechanically active, others that are only conductance active, and regions where both force and conductance changes as the complex is mechanically manipulated. The implication is that force and conductance provide complementary information about the evolution of molecules in junctions that can be used to

  4. Elastin-like Polypeptide Linkers for Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Ott, Wolfgang; Jobst, Markus A; Bauer, Magnus S; Durner, Ellis; Milles, Lukas F; Nash, Michael A; Gaub, Hermann E

    2017-06-27

    Single-molecule force spectroscopy (SMFS) is by now well established as a standard technique in biophysics and mechanobiology. In recent years, the technique has benefitted greatly from new approaches to bioconjugation of proteins to surfaces. Indeed, optimized immobilization strategies for biomolecules and refined purification schemes are being steadily adapted and improved, which in turn has enhanced data quality. In many previously reported SMFS studies, poly(ethylene glycol) (PEG) was used to anchor molecules of interest to surfaces and/or cantilever tips. The limitation, however, is that PEG exhibits a well-known trans-trans-gauche to all-trans transition, which results in marked deviation from standard polymer elasticity models such as the worm-like chain, particularly at elevated forces. As a result, the assignment of unfolding events to protein domains based on their corresponding amino acid chain lengths is significantly obscured. Here, we provide a solution to this problem by implementing unstructured elastin-like polypeptides as linkers to replace PEG. We investigate the suitability of tailored elastin-like polypeptides linkers and perform direct comparisons to PEG, focusing on attributes that are critical for single-molecule force experiments such as linker length, monodispersity, and bioorthogonal conjugation tags. Our results demonstrate that by avoiding the ambiguous elastic response of mixed PEG/peptide systems and instead building the molecular mechanical systems with only a single bond type with uniform elastic properties, we improve data quality and facilitate data analysis and interpretation in force spectroscopy experiments. The use of all-peptide linkers allows alternative approaches for precisely defining elastic properties of proteins linked to surfaces.

  5. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    Oct 14, 2015 ... characterized by using phenotypic, API and Fourier transform infrared (FTIR) spectroscopy methods. One hundred and fifty-seven (157) strains were isolated from 13 cheese samples, and identification test was performed for 83 strains. At the end of the study, a total of 22 Lactococcus sp., 36 Enterecoccus ...

  6. Resolving dual binding conformations of cellulosome cohesin-dockerin complexes using single-molecule force spectroscopy.

    Science.gov (United States)

    Jobst, Markus A; Milles, Lukas F; Schoeler, Constantin; Ott, Wolfgang; Fried, Daniel B; Bayer, Edward A; Gaub, Hermann E; Nash, Michael A

    2015-10-31

    Receptor-ligand pairs are ordinarily thought to interact through a lock and key mechanism, where a unique molecular conformation is formed upon binding. Contrary to this paradigm, cellulosomal cohesin-dockerin (Coh-Doc) pairs are believed to interact through redundant dual binding modes consisting of two distinct conformations. Here, we combined site-directed mutagenesis and single-molecule force spectroscopy (SMFS) to study the unbinding of Coh:Doc complexes under force. We designed Doc mutations to knock out each binding mode, and compared their single-molecule unfolding patterns as they were dissociated from Coh using an atomic force microscope (AFM) cantilever. Although average bulk measurements were unable to resolve the differences in Doc binding modes due to the similarity of the interactions, with a single-molecule method we were able to discriminate the two modes based on distinct differences in their mechanical properties. We conclude that under native conditions wild-type Doc from Clostridium thermocellum exocellulase Cel48S populates both binding modes with similar probabilities. Given the vast number of Doc domains with predicted dual binding modes across multiple bacterial species, our approach opens up new possibilities for understanding assembly and catalytic properties of a broad range of multi-enzyme complexes.

  7. Raman spectroscopy and single-photon source in an ion-cavity system

    International Nuclear Information System (INIS)

    Goncalves de Barros, H.

    2010-01-01

    The work presented in this thesis explores the interaction between a single trapped 40Ca+ ion and the electromagnetic field inside a high-finesse optical cavity. The coupling takes place via the use of a vacuum stimulated Raman transition, which transfers atomic population from the S1/2 to the D3/2 manifolds of the calcium ion producing a photon in the cavity. This photon is measured and properties of the system are evaluated. Spectroscopy measurements of the Raman transitions are performed and all possible transitions are identified for different polarizations of both drive laser and cavity fields. The system is also used to deterministically produce single photons. Simulation curves quantitatively match the experimental results within calibration error bars. The single-photon creation efficiency obtained in this work overcomes previous ion-cavity setups and is comparable to state-of-the-art systems composed of a neutral atom and a cavity operating in the strong coupling regime. (author)

  8. Single gold nanoparticle plasmonic spectroscopy for study of chemical-dependent efflux function of single ABC transporters of single live Bacillus subtilis cells.

    Science.gov (United States)

    Browning, Lauren M; Lee, Kerry J; Cherukuri, Pavan K; Huang, Tao; Songkiatisak, Preeyaporn; Warren, Seth; Xu, Xiao-Hong Nancy

    2018-03-26

    ATP-binding cassette (ABC) membrane transporters serve as self-defense transport apparatus in many living organisms and they can selectively extrude a wide variety of substrates, leading to multidrug resistance (MDR). The detailed molecular mechanisms remain elusive. Single nanoparticle plasmonic spectroscopy highly depends upon their sizes, shapes, chemical and surface properties. In our previous studies, we have used the size-dependent plasmonic spectra of single silver nanoparticles (Ag NPs) to study the real-time efflux kinetics of the ABC (BmrA) transporter and MexAB-OprM transporter in single live cells (Gram-positive and Gram-negative bacterium), respectively. In this study, we prepared and used purified, biocompatible and stable (non-aggregated) gold nanoparticles (Au NPs) (12.4 ± 0.9 nm) to study the efflux kinetics of single BmrA membrane transporters of single live Bacillus subtillis cells, aiming to probe chemical dependent efflux functions of BmrA transporters and their potential chemical sensing capability. Similar to those observed using Ag NPs, accumulation of the intracellular Au NPs in single live cells (WT and ΔBmrA) highly depends upon the cellular expression of BmrA and the NP concentration (0.7 and 1.4 nM). The lower accumulation of intracellular Au NPs in WT (normal expression of BmrA) than ΔBmrA (deletion of bmrA) indicates that BmrA extrudes the Au NPs out of the WT cells. The accumulation of Au NPs in the cells increases with NP concentration, suggesting that the Au NPs most likely passively diffuse into the cells, similar to antibiotics. The result demonstrates that such small Au NPs can serve as imaging probes to study the efflux function of the BmrA membrane transporter in single live cells. Furthermore, the dependence of the accumulation rate of intracellular Au NPs in single live cells upon the expression of BmrA and the concentration of the NPs is about twice higher than that of the same sized Ag NPs. This interesting finding

  9. A software tool for modification of human voxel models used for application in radiation protection

    International Nuclear Information System (INIS)

    Becker, Janine; Zankl, Maria; Petoussi-Henss, Nina

    2007-01-01

    This note describes a new software tool called 'VolumeChange' that was developed to modify the masses and location of organs of virtual human voxel models. A voxel model is a three-dimensional representation of the human body in the form of an array of identification numbers that are arranged in slices, rows and columns. Each entry in this array represents a voxel; organs are represented by those voxels having the same identification number. With this tool, two human voxel models were adjusted to fit the reference organ masses of a male and a female adult, as defined by the International Commission on Radiological Protection (ICRP). The alteration of an already existing voxel model is a complicated process, leading to many problems that have to be solved. To solve those intricacies in an easy way, a new software tool was developed and is presented here. If the organs are modified, no bit of tissue, i.e. voxel, may vanish nor should an extra one appear. That means that organs cannot be modified without considering the neighbouring tissue. Thus, the principle of organ modification is based on the reassignment of voxels from one organ/tissue to another; actually deleting and adding voxels is only possible at the external surface, i.e. skin. In the software tool described here, the modifications are done by semi-automatic routines but including human control. Because of the complexity of the matter, a skilled person has to validate that the applied changes to organs are anatomically reasonable. A graphical user interface was designed to fulfil the purpose of a comfortable working process, and an adequate graphical display of the modified voxel model was developed. Single organs, organ complexes and even whole limbs can be edited with respect to volume, shape and location. (note)

  10. Chebyshev approximations for the transmission integral for one single line in Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Flores-Lamas, H.

    1994-01-01

    An analytic expansion, to arbitrary accuracy, of the transmission integral (TI) for a single Moessbauer line is presented. This serves for calculating the effective thickness (T a ) of an absorber in Moessbauer spectroscopy even for T a >10. The new analytic expansion arises from substituting in the TI expression the exponential function by a Chebyshev polynomials series. A very fast converging series for TI is obtained and used as a test function in a least squares fit to a simulated spectrum. The test yields satisfactory results. The area and height parameters calculated were found to be in good agreement with earlier results. The present analytic method assumes that the source and absorber widths are different. ((orig.))

  11. A variable-temperature scanning tunneling microscope capable of single-molecule vibrational spectroscopy

    International Nuclear Information System (INIS)

    Stipe, B.C.; Rezaei, M.A.; Ho, W.

    1999-01-01

    The design and performance of a variable-temperature scanning tunneling microscope (STM) is presented. The microscope operates from 8 to 350 K in ultrahigh vacuum. The thermally compensated STM is suspended by springs from the cold tip of a continuous flow cryostat and is completely surrounded by two radiation shields. The design allows for in situ dosing and irradiation of the sample as well as for the exchange of samples and STM tips. With the STM feedback loop off, the drift of the tip-sample spacing is approximately 0.001 Angstrom/min at 8 K. It is demonstrated that the STM is well-suited for the study of atomic-scale chemistry over a wide temperature range, for atomic-scale manipulation, and for single-molecule inelastic electron tunneling spectroscopy (IETS). copyright 1999 American Institute of Physics

  12. Structural characterization of H plasma-doped ZnO single crystals by positron annihilation spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Anwand, Wolfgang; Brauer, Gerhard; Cowan, Thomas E. [Institut fuer Strahlenphysik, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Grambole, Dieter; Skorupa, Wolfgang [Institut fuer Ionenstrahlphysik und Materialforschung, Forschungszentrum Dresden-Rossendorf, P.O. Box 510 119, 01314 Dresden (Germany); Cizek, Jakub; Kuriplach, Jan; Prochazka, Ivan [Department of Low Temperature Physics, Charles University, V Holesovickach 2, 18000 Prague (Czech Republic); Egger, Werner; Sperr, Peter [Institut fuer Angewandte Physik und Messtechnik, Fakultaet fuer Luft- und Raumfahrttechnik, Universitaet der Bundeswehr, Heisenbergweg 39, 85579 Neubiberg (Germany)

    2010-11-15

    Nominally undoped, hydrothermally grown ZnO single crystals have been investigated before and after exposure to remote H plasma. Structural characterizations have been made by various positron annihilation spectroscopies (continuous and pulsed slow positron beams, conventional lifetime). The content of bound hydrogen (H-b) before and after the remote H plasma treatment at the polished side of the crystals was determined at depths of 100 and 600 nm, respectively, using nuclear reaction analysis. At a depth of 100 nm, H-b increased from (11.8{+-}2.5) to (48.7{+-}7.6) x 10{sup 19} cm{sup -3} after remote H plasma treatment, whereas at 600 nm no change in H-b was observed. (Copyright copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Broadband Dielectric Spectroscopy and Quasi-Elastic Neutron Scattering on Single-Ion Polymer Conductors

    Science.gov (United States)

    Soles, Christopher; Peng, Hua-Gen; Page, Kirt; Snyder, Chad; Pandy, Ashoutosh; Jeong, Youmi; Runt, James; NIST Collaboration; Pennsylvania Collaboration

    2011-03-01

    The application of solid polymer electrolytes in rechargeable batteries has not been fully realized after decades of research due to its low conductivity. Dramatic increases of the ion conductivity are needed and this progress requires the understanding of conduction mechanism. We address this topic in two fronts, namely, the effect of plasticizer additives and geometric confinement on the charge transfer mechanism. To this end, we combine broadband dielectric spectroscopy (BDS) to characterize the ion mobility and quasi-elastic neutron scattering (QENS) to quantify segmental motion on a single-ion model polymer electrolyte. Deuterated small molecules were used as plasticizers so that the segmental motion of the polymer electrolyte could be monitored by QENS to understand the mechanism behind the increased conductivity. Anodic aluminum oxide (AAO) membranes with well defined channel sizes are used as the matrix to study the transport of ions solvated in a 1D polymer electrolyte.

  14. Purity and Defect Characterization of Single-Wall Carbon Nanotubes Using Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Yasumitsu Miyata

    2011-01-01

    Full Text Available We investigated the purity and defects of single-wall carbon nanotubes (SWCNTs produced by various synthetic methods including chemical vapor deposition, arc discharge, and laser ablation. The SWCNT samples were characterized using scanning electron microscopy (SEM, thermogravimetric analysis (TGA, and Raman spectroscopy. Quantitative analysis of SEM images suggested that the G-band Raman intensity serves as an index for the purity. By contrast, the intensity ratio of G-band to D-band (G/D ratio reflects both the purity and the defect density of SWCNTs. The combination of G-band intensity and G/D ratio is useful for a quick, nondestructive evaluation of the purity and defect density of a SWCNT sample.

  15. Minimizing pulling geometry errors in atomic force microscope single molecule force spectroscopy.

    Science.gov (United States)

    Rivera, Monica; Lee, Whasil; Ke, Changhong; Marszalek, Piotr E; Cole, Daniel G; Clark, Robert L

    2008-10-01

    In atomic force microscopy-based single molecule force spectroscopy (AFM-SMFS), it is assumed that the pulling angle is negligible and that the force applied to the molecule is equivalent to the force measured by the instrument. Recent studies, however, have indicated that the pulling geometry errors can drastically alter the measured force-extension relationship of molecules. Here we describe a software-based alignment method that repositions the cantilever such that it is located directly above the molecule's substrate attachment site. By aligning the applied force with the measurement axis, the molecule is no longer undergoing combined loading, and the full force can be measured by the cantilever. Simulations and experimental results verify the ability of the alignment program to minimize pulling geometry errors in AFM-SMFS studies.

  16. Ion implantation effects in single crystal Si investigated by Raman spectroscopy

    International Nuclear Information System (INIS)

    Harriman, T.A.; Lucca, D.A.; Lee, J.-K.; Klopfstein, M.J.; Herrmann, K.; Nastasi, M.

    2009-01-01

    A study of the effects of Ar ion implantation on the structural transformation of single crystal Si investigated by confocal Raman spectroscopy is presented. Implantation was performed at 77 K using 150 keV Ar ++ with fluences ranging from 2 x 10 13 to 1 x 10 15 ions/cm 2 . The Raman spectra showed a progression from crystalline to highly disordered structure with increasing fluence. The 520 cm -1 c-Si peak was seen to decrease in intensity, broaden and exhibit spectral shifts indicating an increase in lattice disorder and changes in the residual stress state. In addition, an amorphous Si band first appeared as a shoulder on the 520 cm -1 peak and then shifted to lower wavenumbers as a single broadband peak with a spectral center of 465 cm -1 . Additionally, the emergence of the a-Si TA phonon band and the decrease of the c-Si 2TA and 2TO phonon bands also indicated the same structural transition from crystalline to highly disordered. The Raman results were compared to those obtained by channeling RBS.

  17. Optical spectroscopy of iodine-doped single-wall carbon nanotubes of different diameter

    International Nuclear Information System (INIS)

    Tonkikh, Alexander A.; Obraztsova, Elena D.; Pozharov, Anatolii S.; Obraztsova, Ekaterina A.; Belkin, Alexey V.

    2012-01-01

    Single-wall carbon nanotubes with polyiodide chains inside are interesting from two points of view. According to predictions, first, the iodine structure type inside the nanotube is determined by the nanotube geometry. Second, after iodination all nanotubes become metallic. In this work, we made an attempt to check both predictions. To study the diameter-dependent properties we have taken for a gas-phase iodination the pristine single-wall carbon nanotubes grown by three different techniques providing a different average diameter: a chemical vapor deposition with a Co/Mo catalyst (CoMoCat) with a diameter range (0.6-1.3) nm, a high-pressure CO decomposition (HiPCO) - a diameter range (0.8-1.5) nm, and an aerosol technique with Fe catalyst - a diameter range (1.3-2.0) nm. The Raman spectra have shown a complication of the polyiodide chain structure while the nanotube diameter increased. The optical spectroscopy data (a suppression of E 11 band in the UV-Vis-NIR absorption spectrum) have confirmed the theoretical prediction about transformation of all nanotubes into metallic phase after doping. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Multi-distance diffuse optical spectroscopy with a single optode via hypotrochoidal scanning.

    Science.gov (United States)

    Applegate, Matthew B; Roblyer, Darren

    2018-02-15

    Frequency-domain diffuse optical spectroscopy (FD-DOS) is an established technique capable of determining optical properties and chromophore concentrations in biological tissue. Most FD-DOS systems use either manually positioned, handheld probes or complex arrays of source and detector fibers to acquire data from many tissue locations, allowing for the generation of 2D or 3D maps of tissue. Here, we present a new method to rapidly acquire a wide range of source-detector (SD) separations by mechanically scanning a single SD pair. The source and detector fibers are mounted on a scan head that traces a hypotrochoidal pattern over the sample that, when coupled with a high-speed FD-DOS system, enables the rapid collection of dozens of SD separations for depth-resolved imaging. We demonstrate that this system has an average error of 4±2.6% in absorption and 2±1.8% in scattering across all SD separations. Additionally, by linearly translating the device, the size and location of an absorbing inhomogeneity can be determined through the generation of B-scan images in a manner conceptually analogous to ultrasound imaging. This work demonstrates the potential of single optode diffuse optical scanning for depth resolved visualization of heterogeneous biological tissues at near real-time rates.

  19. Moessbauer spectroscopy evidence of intrinsic non-stoichiometry in iron telluride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kiiamov, Airat G.; Tayurskii, Dmitrii A. [Institute of Physics, Kazan Federal University (Russian Federation); Centre for Quantum Technologies, Kazan Federal University (Russian Federation); Lysogorskiy, Yury V.; Vagizov, Farit G. [Institute of Physics, Kazan Federal University (Russian Federation); Tagirov, Lenar R. [Institute of Physics, Kazan Federal University (Russian Federation); E.K. Zavoisky Physical-Technical Institute, Russian Academy of Sciences, Kazan (Russian Federation); Croitori, Dorina [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau (Moldova, Republic of); Tsurkan, Vladimir [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau (Moldova, Republic of); Experimental Physics V, University of Augsburg (Germany); Loidl, Alois [Experimental Physics V, University of Augsburg (Germany)

    2017-04-15

    The FeTe parent compound for iron-superconductor chalcogenides was studied applying Moessbauer spectroscopy accompanied by ab initio calculations of electric field gradients at the iron nuclei. Room-temperature (RT) Moessbauer spectra of single crystals have shown asymmetric doublet structure commonly ascribed to contributions of over-stoichiometric iron or impurity phases. Low-temperature Moessbauer spectra of the magnetically ordered compound could be well described by four hyperfine-split sextets, although no other foreign phases different from Fe{sub 1.05}Te were detected by XRD and microanalysis within the sensitivity limits of the equipment. Density functional ab initio calculations have shown that over-stoichiometric iron atoms significantly affect electron charge and spin density up to the second coordination sphere of the iron sub-lattice, and, as a result, four non-equivalent groups of iron atoms are formed by their local environment. The resulting four-group model consistently describes the angular dependence of the single crystals Moessbauer spectra as well as intensity asymmetry of the doublet absorption lines in powdered samples at RT. We suppose that our approach could be extended to the entire class of Fe{sub 1+y}Se{sub 1-x}Te{sub x} compounds, which contain excess iron atoms. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Revisiting the inelastic electron tunneling spectroscopy of single hydrogen atom adsorbed on the Cu(100) surface

    International Nuclear Information System (INIS)

    Jiang, Zhuoling; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2015-01-01

    Inelastic electron tunneling spectroscopy (IETS) of a single hydrogen atom on the Cu(100) surface in a scanning tunneling microscopy (STM) configuration has been investigated by employing the non-equilibrium Green’s function formalism combined with density functional theory. The electron-vibration interaction is treated at the level of lowest order expansion. Our calculations show that the single peak observed in the previous STM-IETS experiments is dominated by the perpendicular mode of the adsorbed H atom, while the parallel one only makes a negligible contribution even when the STM tip is laterally displaced from the top position of the H atom. This propensity of the IETS is deeply rooted in the symmetry of the vibrational modes and the characteristics of the conduction channel of the Cu-H-Cu tunneling junction, which is mainly composed of the 4s and 4p z atomic orbitals of the Cu apex atom and the 1s orbital of the adsorbed H atom. These findings are helpful for deepening our understanding of the propensity rules for IETS and promoting IETS as a more popular spectroscopic tool for molecular devices

  1. Characterization of Bi4Ge3O12 single crystal by impedance spectroscopy

    Directory of Open Access Journals (Sweden)

    Zélia Soares Macedo

    2003-12-01

    Full Text Available Bi4Ge3O12 (bismuth germanate - BGO single crystals were produced by the Czochralski technique and their electrical and dielectric properties were investigated by impedance spectroscopy. The isothermal ac measurements were performed for temperatures from room temperature up to 750 °C, but only the data taken above 500 °C presented a complete semicircle in the complex impedance diagrams. Experimental data were fitted to a parallel RC equivalent circuit, and the electrical conductivity was obtained from the resistivity values. Conductivity values from 5.4 × 10(9 to 4.3 × 10-7 S/cm were found in the temperature range of 500 to 750 °C. This electrical conductivity is thermally activated, following the Arrhenius law with an apparent activation energy of (1.41 ± 0.04 eV. The dielectric properties of BGO single crystal were also studied for the same temperature interval. Permittivity values of 20 ± 2 for frequencies higher than 10³ Hz and a low-frequency dispersion were observed. Both electric and dielectric behavior of BGO are typical of systems in which the conduction mechanism dominates the dielectric response.

  2. Laser Induced Breakdown Spectroscopy Based on Single Beam Splitting and Geometric Configuration for Effective Signal Enhancement

    Science.gov (United States)

    Yang, Guang; Lin, Qingyu; Ding, Yu; Tian, Di; Duan, Yixiang

    2015-01-01

    A new laser induced breakdown spectroscopy (LIBS) based on single-beam-splitting (SBS) and proper optical geometric configuration has been initially explored in this work for effective signal enhancement. In order to improve the interaction efficiency of laser energy with the ablated material, a laser beam operated in pulse mode was divided into two streams to ablate/excite the target sample in different directions instead of the conventional one beam excitation in single pulse LIBS (SP-LIBS). In spatial configuration, the laser beam geometry plays an important role in the emission signal enhancement. Thus, an adjustable geometric configuration with variable incident angle between the two splitted laser beams was constructed for achieving maximum signal enhancement. With the optimized angles of 60° and 70° for Al and Cu atomic emission lines at 396.15 nm and 324.75 nm respectively, about 5.6- and 4.8-folds signal enhancements were achieved for aluminum alloy and copper alloy samples compared to SP-LIBS. Furthermore, the temporal analysis, in which the intensity of atomic lines in SP-LIBS decayed at least ten times faster than the SBS-LIBS, proved that the energy coupling efficiency of SBS-LIBS was significantly higher than that of SP-LIBS. PMID:25557721

  3. Integrin and glycocalyx mediated contributions to cell adhesion identified by single cell force spectroscopy

    International Nuclear Information System (INIS)

    Boettiger, D; Wehrle-Haller, B

    2010-01-01

    The measurement of cell adhesion using single cell force spectroscopy methods was compared with earlier methods for measuring cell adhesion. This comparison provided a means and rationale for separating components of the measurement retract curve that were due to interactions between the substrate and the glycocalyx, and interactions that were due to cell surface integrins binding to a substrate-bound ligand. The glycocalyx adhesion was characterized by multiple jumps with dispersed jump sizes that extended from 5 to 30 μm from the origin. The integrin mediated adhesion was represented by the F max (maximum detachment force), was generally within the first 5 μm and commonly detached with a single rupture cascade. The integrin peak (F max ) increases with time and the rate of increase shows large cell to cell variability with a peak ∼ 50 nN s -1 and an average rate of increase of 75 pN s -1 . This is a measure of the rate of increase in the number of adhesive integrin-ligand bonds/cell as a function of contact time.

  4. The spectroscopy investigation of ZnWO{sub 4}:Tm{sup 3+} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Yang Fugui, E-mail: ruopiao@fjirsm.ac.cn [Department of Electronic Information Science, Fujian Jiangxia University, Fuzhou, Fujian 350108 (China); Tu Chaoyang [Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer The spectroscopy and refractive index of single crystal ZnWO{sub 4}:Tm{sup 3+} are investigated systematically. Black-Right-Pointing-Pointer The Judd-Ofelt parameters are obtained. Black-Right-Pointing-Pointer The gain cross sections at {approx}2 {mu}m are estimated by reciprocity method (RM). Black-Right-Pointing-Pointer The laser operation at {approx}2 {mu}m is discussed. - Abstract: The single crystal ZnWO{sub 4}:Tm{sup 3+} has been grown by Czochralski method. The XRD, refractive index, absorption and fluorescence spectra are measured. The Judd-Ofelt parameters{Omega}{sub 2}, {Omega}{sub 4}, {Omega}{sub 6} are obtained to be 6.3 Multiplication-Sign 10{sup -20}, 1.3 Multiplication-Sign 10{sup -20}, 1.4 Multiplication-Sign 10{sup -20} cm{sup 2}, respectively. The fluorescence decay time of the {sup 3}H{sub 4} level is measured to be 0.113 ms and the quantum efficiency is 57%. The gain cross sections corresponding to {sup 3}F{sub 4}{yields}{sup 3}H{sub 6} transition at {approx}2 {mu}m are estimated by the reciprocity method (RM). The strong gain at {approx}2 {mu}m indicates that the ZnWO{sub 4}:Tm{sup 3+} crystal is a promising laser host for {approx}2 {mu}m laser.

  5. High-resolution photoluminescence spectroscopy of Sn-doped ZnO single crystals

    International Nuclear Information System (INIS)

    Kumar, E. Senthil; Mohammadbeigi, F.; Boatner, L.A.; Watkins, S.P.

    2016-01-01

    Group IV donors in ZnO are poorly understood, despite evidence that they are effective n-type dopants. Here we present high-resolution photoluminescence (PL) spectroscopy studies of unintentionally doped and Sn-doped ZnO single crystals grown by the chemical vapor transport method. Doped samples showed greatly increased emission from the I 10 bound exciton transition that was recently proven to be related to the incorporation of Sn impurities based on radio-isotope studies. The PL linewidths are exceptionally sharp for these samples, enabling a clear identification of several donor species. Temperature-dependent PL measurements of the I 10 line emission energy and intensity dependence reveal a behavior that is similar to other shallow donors in ZnO. Ionized donor bound-exciton and two-electron satellite transitions of the I 10 transition are unambiguously identified and yield a donor binding energy of 71 meV. In contrast to recent reports of Ge-related donors in ZnO, the spectroscopic binding energy for the Sn-related donor bound exciton follows a linear relationship with donor binding energy (Haynes rule) similar to recently observed carbon related donors, and confirming the shallow nature of this defect center, which was recently attributed to a Sn Zn double donor compensated by an unknown single acceptor.

  6. Development of Single Cell Raman Spectroscopy for Cancer Screening and Therapy Monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Chan, James W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2009-02-24

    The overall goal of this project was to develop a new technology for cancer detection based on single cell laser tweezers Raman spectroscopy (LTRS). This method has the potential to improve the detection of cancer characteristics in single cells by acquiring cellular spectral markers that reflect the intrinsic biology of the cell. These spectral biomarkers are a new form of molecular signatures in the field of cancer research that may hold promise in accurately identifying and diagnosing cancer and measuring patient response to treatment. The primary objectives of this proposed work were to perform a full characterization of the Raman spectra of single normal, transformed, and cancer cells to identify cancer spectral signatures, validate the clinical significance of these results by direct correlation to established clinical parameters for assessing cancer, and to develop the optical technology needed for efficient sampling and analysis of cells needed for the practical use of such a system in the clinic. The results indicated that normal T and B lymphocytes could be distinguished from their neoplastic cultured cells and leukemia patient cells with classification sensitivities and specificities routinely exceeding 90% based on multivariate statistical analysis and leave-one-out cross validation. Differences primarily in the Raman peaks associated with DNA and protein were observed between normal and leukemic cells and were consistent for both the cultured and primary cells. Differences between normal and leukemia patient cells were more subtle than between normal and leukemia cultured cells but were still significant to allow for accurate discrimination. Furthermore, it is revealed that the spectral differences are representative of the neoplastic phenotype of the cells and not a reflection of the different metabolic states (resting versus active) of normal and leukemic cells. The effect of different standard cell fixation protocols (i.e. methanol, paraformaledhye

  7. ROLE OF MAGNETIC RESONANCE SPECTROSCOPY IN INTRACRANIAL LESIONS- A STUDY OF 75 CASES

    Directory of Open Access Journals (Sweden)

    Rajendra N. Solank

    2017-10-01

    Full Text Available BACKGROUND Our study have shown the role of MR spectroscopy in lesions whenever results are equivocal or non-conclusive even on MRI. MR spectroscopy can differentiate the lesions, particularly intracranial lesions on the basis of various metabolites. The aims of this study is to diagnose the intracranial lesions and to show the advantage of MR spectroscopy over the conventional MRI, to differentiate the neoplastic from non-neoplastic lesion, to prove the reliability of MR spectroscopy in identifying the different grades of glioma with histopathological correlation as well as to differentiate recurrent tumour from post-operative changes or radiation necrosis. MATERIALS AND METHODS During the period of August 2009 to July 2011, a prospective study of 75 patients was carried out at Department of Radiodiagnosis, Civil Hospital and BJ Medical College, Ahmedabad, Gujarat. MRI was performed on 1.5 Tesla MR scanner (GE HDXT using dedicated head coil. Conventional MR imaging was performed followed by MR spectroscopy using point resolved spectroscopy. After deciding the region of interest voxel was kept and 2D multivoxel proton spectroscopy (TR- 1000 msec, TE- 144 msec, voxel size 20 x 20 mm or single voxel proton spectroscopy (TR- 1500 msec, TE- 35 msec, voxel size 20 x 20 mm was performed and spectra obtained. RESULTS In the present study of 75 patients, the maximum number of patients were between 31 to 50 years of age. The approximate ratio of male: female was 2: 1. In our study sensitivity, specificity, positive predictive value, negative predictive value of MRI are 89%, 87%, 87% and 89% respectively and of MRI + MRS are 100%, 97%, 97% and 100% respectively in tumours. CONCLUSION MRS (Magnetic Resonance Spectroscopy is a non-invasive imaging technique that studies the chemical activity in the brain and detects the presence of certain chemical substances. Through this imaging technique, images and graphs of the brain can be obtained.

  8. Shell-Tunneling Spectroscopy of the Single-Particle Energy Levels of Insulating Quantum Dots

    NARCIS (Netherlands)

    Bakkers, E.P.A.M.; Hens, Z.; Zunger, A.; Franceschetti, A; Kouwenhoven, L.P.; Gurevich, L.; Vanmaekelbergh, D.

    2001-01-01

    The energy levels of CdSe quantum dots are studied by scanning tunneling spectroscopy. By varying the tip-dot distance, we switch from "shell-filling" spectroscopy (where electrons accumulate in the dot and experience mutual repulsion) to "shell-tunneling" spectroscopy (where electrons tunnel, one

  9. Solid state structural investigations of the bis(chalcone) compound with single crystal X-ray crystallography, DFT, gamma-ray spectroscopy and chemical spectroscopy methods

    Science.gov (United States)

    Yakalı, Gül; Biçer, Abdullah; Eke, Canel; Cin, Günseli Turgut

    2018-04-01

    A bis(chalcone), (2E,6E)-2,6-bis((E)-3phenylallidene)cyclohexanone, was characterized by 1H NMR, 13C NMR, FTIR, UV-Vis spectroscopy, gamma-ray spectroscopy and single crystal X- ray structural analysis. The optimized molecular structure of the compound is calculated using DFT/B3LYP with 6-31G (d,p) level. The calculated geometrical parameters are in good agreement with the experimental data obtained from our reported X-ray structure. The powder and single crystal compounds were gama-irradiated using clinical electron linear accelerator and 60Co gamma-ray source, respectively. Spectral studies (1H NMR, 13C NMR, FTIR and UV-Vis) of powder chalcone compound were also investigated before and after irradiation. Depending on the irradiation notable changes were observed in spectral features powder sample. Single crystal X-ray diffraction investigation shows that both unirradiated and irradiated single crystal samples crystallizes in a orthorhombic crystal system in the centrosymmetric space group Pbcn and exhibits an C-H..O intramolecular and intermolecular hydrogen bonds. The crystal packing is stabilised by strong intermolecular bifurcate C-H..O hydrogen bonds and π…π stacking interactions. The asymmetric unit of the title compound contains one-half of a molecule. The other half of the molecule is generated with (1-x,y,-3/2-z) symmetry operator. The molecule is almost planar due to having π conjugated system of chalcones. However, irradiated single crystal compound showed significant changes lattice parameters, crystal volume and density. According to results of gamma-ray spectroscopy, radioactive elements of powder compound which are 123Sb(n,g),124Sb,57Fe(g,p),56Mn, 55Mn(g,n), and 54Mn were determined using photoactivation analysis. However, the most intensive gamma-ray energy signals are 124Sb.

  10. Photon-counting single-molecule spectroscopy for studying conformational dynamics and macromolecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Laurence, Ted Alfred [Univ. of California, Berkeley, CA (United States)

    2002-01-01

    Single-molecule methods have the potential to provide information about conformational dynamics and molecular interactions that cannot be obtained by other methods. Removal of ensemble averaging provides several benefits, including the ability to detect heterogeneous populations and the ability to observe asynchronous reactions. Single-molecule diffusion methodologies using fluorescence resonance energy transfer (FRET) are developed to monitor conformational dynamics while minimizing perturbations introduced by interactions between molecules and surfaces. These methods are used to perform studies of the folding of Chymotrypsin Inhibitor 2, a small, single-domain protein, and of single-stranded DNA (ssDNA) homopolymers. Confocal microscopy is used in combination with sensitive detectors to detect bursts of photons from fluorescently labeled biomolecules as they diffuse through the focal volume. These bursts are analyzed to extract fluorescence resonance energy transfer (FRET) efficiency. Advances in data acquisition and analysis techniques that are providing a more complete picture of the accessible molecular information are discussed. Photon Arrival-time Interval Distribution (PAID) analysis is a new method for monitoring macromolecular interactions by fluorescence detection with simultaneous determination of coincidence, brightness, diffusion time, and occupancy (proportional to concentration) of fluorescently-labeled molecules undergoing diffusion in a confocal detection volume. This method is based on recording the time of arrival of all detected photons, and then plotting the two-dimensional histogram of photon pairs, where one axis is the time interval between each pair of photons 1 and 2, and the second axis is the number of other photons detected in the time interval between photons 1 and 2. PAID is related to Fluorescence Correlation Spectroscopy (FCS) by a collapse of this histogram onto the time interval axis. PAID extends auto- and cross-correlation FCS

  11. Photon-counting single-molecule spectroscopy for studying conformational dynamics and macromolecular interactions

    International Nuclear Information System (INIS)

    Laurence, Ted Alfred

    2002-01-01

    Single-molecule methods have the potential to provide information about conformational dynamics and molecular interactions that cannot be obtained by other methods. Removal of ensemble averaging provides several benefits, including the ability to detect heterogeneous populations and the ability to observe asynchronous reactions. Single-molecule diffusion methodologies using fluorescence resonance energy transfer (FRET) are developed to monitor conformational dynamics while minimizing perturbations introduced by interactions between molecules and surfaces. These methods are used to perform studies of the folding of Chymotrypsin Inhibitor 2, a small, single-domain protein, and of single-stranded DNA (ssDNA) homopolymers. Confocal microscopy is used in combination with sensitive detectors to detect bursts of photons from fluorescently labeled biomolecules as they diffuse through the focal volume. These bursts are analyzed to extract fluorescence resonance energy transfer (FRET) efficiency. Advances in data acquisition and analysis techniques that are providing a more complete picture of the accessible molecular information are discussed. Photon Arrival-time Interval Distribution (PAID) analysis is a new method for monitoring macromolecular interactions by fluorescence detection with simultaneous determination of coincidence, brightness, diffusion time, and occupancy (proportional to concentration) of fluorescently-labeled molecules undergoing diffusion in a confocal detection volume. This method is based on recording the time of arrival of all detected photons, and then plotting the two-dimensional histogram of photon pairs, where one axis is the time interval between each pair of photons 1 and 2, and the second axis is the number of other photons detected in the time interval between photons 1 and 2. PAID is related to Fluorescence Correlation Spectroscopy (FCS) by a collapse of this histogram onto the time interval axis. PAID extends auto- and cross-correlation FCS

  12. Probing Protein Multidimensional Conformational Fluctuations by Single-Molecule Multiparameter Photon Stamping Spectroscopy

    Science.gov (United States)

    2015-01-01

    Conformational motions of proteins are highly dynamic and intrinsically complex. To capture the temporal and spatial complexity of conformational motions and further to understand their roles in protein functions, an attempt is made to probe multidimensional conformational dynamics of proteins besides the typical one-dimensional FRET coordinate or the projected conformational motions on the one-dimensional FRET coordinate. T4 lysozyme hinge-bending motions between two domains along α-helix have been probed by single-molecule FRET. Nevertheless, the domain motions of T4 lysozyme are rather complex involving multiple coupled nuclear coordinates and most likely contain motions besides hinge-bending. It is highly likely that the multiple dimensional protein conformational motions beyond the typical enzymatic hinged-bending motions have profound impact on overall enzymatic functions. In this report, we have developed a single-molecule multiparameter photon stamping spectroscopy integrating fluorescence anisotropy, FRET, and fluorescence lifetime. This spectroscopic approach enables simultaneous observations of both FRET-related site-to-site conformational dynamics and molecular rotational (or orientational) motions of individual Cy3-Cy5 labeled T4 lysozyme molecules. We have further observed wide-distributed rotational flexibility along orientation coordinates by recording fluorescence anisotropy and simultaneously identified multiple intermediate conformational states along FRET coordinate by monitoring time-dependent donor lifetime, presenting a whole picture of multidimensional conformational dynamics in the process of T4 lysozyme open-close hinge-bending enzymatic turnover motions under enzymatic reaction conditions. By analyzing the autocorrelation functions of both lifetime and anisotropy trajectories, we have also observed the dynamic and static inhomogeneity of T4 lysozyme multidimensional conformational fluctuation dynamics, providing a fundamental

  13. Going Vertical To Improve the Accuracy of Atomic Force Microscopy Based Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Walder, Robert; Van Patten, William J; Adhikari, Ayush; Perkins, Thomas T

    2018-01-23

    Single-molecule force spectroscopy (SMFS) is a powerful technique to characterize the energy landscape of individual proteins, the mechanical properties of nucleic acids, and the strength of receptor-ligand interactions. Atomic force microscopy (AFM)-based SMFS benefits from ongoing progress in improving the precision and stability of cantilevers and the AFM itself. Underappreciated is that the accuracy of such AFM studies remains hindered by inadvertently stretching molecules at an angle while measuring only the vertical component of the force and extension, degrading both measurements. This inaccuracy is particularly problematic in AFM studies using double-stranded DNA and RNA due to their large persistence length (p ≈ 50 nm), often limiting such studies to other SMFS platforms (e.g., custom-built optical and magnetic tweezers). Here, we developed an automated algorithm that aligns the AFM tip above the DNA's attachment point to a coverslip. Importantly, this algorithm was performed at low force (10-20 pN) and relatively fast (15-25 s), preserving the connection between the tip and the target molecule. Our data revealed large uncorrected lateral offsets for 100 and 650 nm DNA molecules [24 ± 18 nm (mean ± standard deviation) and 180 ± 110 nm, respectively]. Correcting this offset yielded a 3-fold improvement in accuracy and precision when characterizing DNA's overstretching transition. We also demonstrated high throughput by acquiring 88 geometrically corrected force-extension curves of a single individual 100 nm DNA molecule in ∼40 min and versatility by aligning polyprotein- and PEG-based protein-ligand assays. Importantly, our software-based algorithm was implemented on a commercial AFM, so it can be broadly adopted. More generally, this work illustrates how to enhance AFM-based SMFS by developing more sophisticated data-acquisition protocols.

  14. Raman spectroscopy of single extracellular vesicles reveals subpopulations with varying membrane content (Conference Presentation)

    Science.gov (United States)

    Smith, Zachary J.; Lee, Changwon; Rojalin, Tatu; Carney, Randy P.; Hazari, Sidhartha; Knudson, Alisha; Lam, Kit S.; Saari, Heikki; Lazaro Ibañez, Elisa; Viitala, Tapani; Laaksonen, Timo; Yliperttula, Marjo; Wachsmann-Hogiu, Sebastian

    2016-03-01

    Exosomes are small (~100nm) membrane bound vesicles excreted by cells as part of their normal biological processes. These extracellular vesicles are currently an area of intense research, since they were recently found to carry functional mRNA that allows transfer of proteins and other cellular instructions between cells. Exosomes have been implicated in a wide range of diseases, including cancer. Cancer cells are known to have increased exosome production, and may use those exosomes to prepare remote environments for metastasis. Therefore, there is a strong need to develop characterization methods to help understand the structure and function of these vesicles. However, current techniques, such as proteomics and genomics technologies, rely on aggregating a large amount of exosome material and reporting on chemical content that is averaged over many millions of exosomes. Here we report on the use of laser-tweezers Raman spectroscopy (LTRS) to probe individual vesicles, discovering distinct heterogeneity among exosomes both within a cell line, as well as between different cell lines. Through principal components analysis followed by hierarchical clustering, we have identified four "subpopulations" of exosomes shared across seven cell lines. The key chemical differences between these subpopulations, as determined by spectral analysis of the principal component loadings, are primarily related to membrane composition. Specifically, the differences can be ascribed to cholesterol content, cholesterol to phospholipid ratio, and surface protein expression. Thus, we have shown LTRS to be a powerful method to probe the chemical content of single extracellular vesicles.

  15. Single Cell Confocal Raman Spectroscopy of Human Osteoarthritic Chondrocytes: A Preliminary Study

    Directory of Open Access Journals (Sweden)

    Rajesh Kumar

    2015-04-01

    Full Text Available A great deal of effort has been focused on exploring the underlying molecular mechanism of osteoarthritis (OA especially at the cellular level. We report a confocal Raman spectroscopic investigation on human osteoarthritic chondrocytes. The objective of this investigation is to identify molecular features and the stage of OA based on the spectral signatures corresponding to bio-molecular changes at the cellular level in chondrocytes. In this study, we isolated chondrocytes from human osteoarthritic cartilage and acquired Raman spectra from single cells. Major spectral differences between the cells obtained from different International Cartilage Repair Society (ICRS grades of osteoarthritic cartilage were identified. During progression of OA, a decrease in protein content and an increase in cell death were observed from the vibrational spectra. Principal component analysis and subsequent cross-validation was able to associate osteoarthritic chondrocytes to ICRS Grade I, II and III with specificity 100.0%, 98.1%, and 90.7% respectively, while, sensitivity was 98.6%, 82.8%, and 97.5% respectively. The overall predictive efficiency was 92.2%. Our pilot study encourages further use of Raman spectroscopy as a noninvasive and label free technique for revealing molecular features associated with osteoarthritic chondrocytes.

  16. High-throughput single-molecule force spectroscopy for membrane proteins

    Science.gov (United States)

    Bosshart, Patrick D.; Casagrande, Fabio; Frederix, Patrick L. T. M.; Ratera, Merce; Bippes, Christian A.; Müller, Daniel J.; Palacin, Manuel; Engel, Andreas; Fotiadis, Dimitrios

    2008-09-01

    Atomic force microscopy-based single-molecule force spectroscopy (SMFS) is a powerful tool for studying the mechanical properties, intermolecular and intramolecular interactions, unfolding pathways, and energy landscapes of membrane proteins. One limiting factor for the large-scale applicability of SMFS on membrane proteins is its low efficiency in data acquisition. We have developed a semi-automated high-throughput SMFS (HT-SMFS) procedure for efficient data acquisition. In addition, we present a coarse filter to efficiently extract protein unfolding events from large data sets. The HT-SMFS procedure and the coarse filter were validated using the proton pump bacteriorhodopsin (BR) from Halobacterium salinarum and the L-arginine/agmatine antiporter AdiC from the bacterium Escherichia coli. To screen for molecular interactions between AdiC and its substrates, we recorded data sets in the absence and in the presence of L-arginine, D-arginine, and agmatine. Altogether ~400 000 force-distance curves were recorded. Application of coarse filtering to this wealth of data yielded six data sets with ~200 (AdiC) and ~400 (BR) force-distance spectra in each. Importantly, the raw data for most of these data sets were acquired in one to two days, opening new perspectives for HT-SMFS applications.

  17. High-throughput single-molecule force spectroscopy for membrane proteins

    International Nuclear Information System (INIS)

    Bosshart, Patrick D; Casagrande, Fabio; Frederix, Patrick L T M; Engel, Andreas; Fotiadis, Dimitrios; Ratera, Merce; Palacin, Manuel; Bippes, Christian A; Mueller, Daniel J

    2008-01-01

    Atomic force microscopy-based single-molecule force spectroscopy (SMFS) is a powerful tool for studying the mechanical properties, intermolecular and intramolecular interactions, unfolding pathways, and energy landscapes of membrane proteins. One limiting factor for the large-scale applicability of SMFS on membrane proteins is its low efficiency in data acquisition. We have developed a semi-automated high-throughput SMFS (HT-SMFS) procedure for efficient data acquisition. In addition, we present a coarse filter to efficiently extract protein unfolding events from large data sets. The HT-SMFS procedure and the coarse filter were validated using the proton pump bacteriorhodopsin (BR) from Halobacterium salinarum and the L-arginine/agmatine antiporter AdiC from the bacterium Escherichia coli. To screen for molecular interactions between AdiC and its substrates, we recorded data sets in the absence and in the presence of L-arginine, D-arginine, and agmatine. Altogether ∼400 000 force-distance curves were recorded. Application of coarse filtering to this wealth of data yielded six data sets with ∼200 (AdiC) and ∼400 (BR) force-distance spectra in each. Importantly, the raw data for most of these data sets were acquired in one to two days, opening new perspectives for HT-SMFS applications

  18. High-throughput single-molecule force spectroscopy for membrane proteins

    Energy Technology Data Exchange (ETDEWEB)

    Bosshart, Patrick D; Casagrande, Fabio; Frederix, Patrick L T M; Engel, Andreas; Fotiadis, Dimitrios [M E Mueller Institute for Structural Biology, Biozentrum of the University of Basel, CH-4056 Basel (Switzerland); Ratera, Merce; Palacin, Manuel [Institute for Research in Biomedicine, Barcelona Science Park, Department of Biochemistry and Molecular Biology, Faculty of Biology, University of Barcelona and Centro de Investigacion Biomedica en Red de Enfermedades Raras, E-08028 Barcelona (Spain); Bippes, Christian A; Mueller, Daniel J [BioTechnology Center, Technical University, Tatzberg 47, D-01307 Dresden (Germany)], E-mail: andreas.engel@unibas.ch, E-mail: dimitrios.fotiadis@mci.unibe.ch

    2008-09-24

    Atomic force microscopy-based single-molecule force spectroscopy (SMFS) is a powerful tool for studying the mechanical properties, intermolecular and intramolecular interactions, unfolding pathways, and energy landscapes of membrane proteins. One limiting factor for the large-scale applicability of SMFS on membrane proteins is its low efficiency in data acquisition. We have developed a semi-automated high-throughput SMFS (HT-SMFS) procedure for efficient data acquisition. In addition, we present a coarse filter to efficiently extract protein unfolding events from large data sets. The HT-SMFS procedure and the coarse filter were validated using the proton pump bacteriorhodopsin (BR) from Halobacterium salinarum and the L-arginine/agmatine antiporter AdiC from the bacterium Escherichia coli. To screen for molecular interactions between AdiC and its substrates, we recorded data sets in the absence and in the presence of L-arginine, D-arginine, and agmatine. Altogether {approx}400 000 force-distance curves were recorded. Application of coarse filtering to this wealth of data yielded six data sets with {approx}200 (AdiC) and {approx}400 (BR) force-distance spectra in each. Importantly, the raw data for most of these data sets were acquired in one to two days, opening new perspectives for HT-SMFS applications.

  19. Single-crystal Brillouin spectroscopy with CO{sub 2} laser heating and variable q

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jin S.; Bass, Jay D. [Department of Geology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Zhu, Gaohua [Materials Research Department, Toyota Research Institute of North America, Ann Arbor, Michigan 48105 (United States)

    2015-06-15

    We describe a Brillouin spectroscopy system integrated with CO{sub 2} laser-heating and Raman spectroscopic capabilities. Temperature is determined by measurements of the grey-body thermal radiation emitted by the hot sample, with the system response calibrated relative to a standard tungsten ribbon lamp. High-pressure laser-heating Brillouin scattering measurements of acoustic velocities on liquid water and ice compressed in a diamond-anvil cell were performed at temperatures up to 2500 ± 150 K at high pressure. Single-crystal laser-heating Brillouin measurements were made on the (111) plane of San Carlos olivine at ∼13 GPa, 1300 ± 200 K. The pressure as measured by ruby fluorescence is shown to be within ±0.5 GPa of the pressure on the olivine sample during laser heating when KCl and KBr are used as pressure-transmitting media. In addition, the system is designed for continuously variable scattering angles from forward scattering (near 0° scattering angle) up to near back scattering (∼141°). This novel setup allows us to probe a wide range of wave vectors q for investigation of phonon dispersion on, for example, crystals with large unit cells (on the scale of hundreds of nm)

  20. Design principles of natural light-harvesting as revealed by single molecule spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Krüger, T.P.J., E-mail: tjaart.kruger@up.ac.za [Department of Physics, University of Pretoria, Private bag X20, Hatfield 0028 (South Africa); Grondelle, R. van [Department of Physics and Astronomy, VU University Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands)

    2016-01-01

    Biology offers a boundless source of adaptation, innovation, and inspiration. A wide range of photosynthetic organisms exist that are capable of harvesting solar light in an exceptionally efficient way, using abundant and low-cost materials. These natural light-harvesting complexes consist of proteins that strongly bind a high density of chromophores to capture solar photons and rapidly transfer the excitation energy to the photochemical reaction centre. The amount of harvested light is also delicately tuned to the level of solar radiation to maintain a constant energy throughput at the reaction centre and avoid the accumulation of the products of charge separation. In this Review, recent developments in the understanding of light-harvesting by plants will be discussed, based on results obtained from single molecule spectroscopy studies. Three design principles of the main light-harvesting antenna of plants will be highlighted: (a) fine, photoactive control over the intrinsic protein disorder to efficiently use intrinsically available thermal energy dissipation mechanisms; (b) the design of the protein microenvironment of a low-energy chromophore dimer to control the amount of shade absorption; (c) the design of the exciton manifold to ensure efficient funneling of the harvested light to the terminal emitter cluster.

  1. Preliminary Understanding of Surface Plasmon-Enhanced Circular Dichroism Spectroscopy by Single Particle Imaging

    Science.gov (United States)

    Zhan, Kangshu

    Monitoring chiral optical signals of biomolecules as their conformation changes is an important means to study their structures, properties, and functions. Most measurements, however, are ensemble measurements because chiral optical signals from a single biomolecule is often too weak to be detected. In this dissertation, I present my early attempts to study conformational changes of adsorbed proteins by taking advantage of the enhanced electromagnetic (EM) field around a well-designed plasmonic nanofeature. In particular, I discuss the detection of protein adsorption and denaturation on metallic nanoparticles using single particle scattering and CD spectroscopic imaging. Particles of two distinctively different sizes were compared and two different sample protein molecules were studied. A combination of experimental and computational tools was used to simulate and interpret the collected scattering and CD results. The first chapter provides a brief overview of the state-of-art research in CD spectroscopic studies at the single particle level. Three different means to make particles capable of chiral detection are discussed. Various applications beyond single particle imaging are presented to showcase the potential of the described research project, beyond our immediate goals. The second chapter describes my initial characterization of large, metallic, anisotropic nanorods and the establishment of experimental procedures used later for spectrum reconstruction, data visualization and analysis. The physical shape and structure of the particles were imaged by scanning electron microscopy (SEM), the chemical composition by energy dispersive X-ray Spectroscopy (EDS), and the optical properties by darkfield microscopy. An experimental protocol was developed to connect information collected from separate techniques for the same particle, with the aims of discovering any possible structural-property correlation. The reproducibility of the single particle imaging method was

  2. Electrically continuous graphene from single crystal copper verified by terahertz conductance spectroscopy and micro four-point probe

    DEFF Research Database (Denmark)

    Buron, Jonas Christian Due; Pizzocchero, Filippo; Jessen, Bjarke Sørensen

    2014-01-01

    noninvasive conductance characterization methods: ultrabroadband terahertz time-domain spectroscopy and micro four-point probe, which probe the electrical properties of the graphene film on different length scales, 100 nm and 10 μm, respectively. Ultrabroadband terahertz time-domain spectroscopy allows......- and microscale electrical continuity of single layer graphene grown on centimeter-sized single crystal copper with that of previously studied graphene films, grown on commercially available copper foil, after transfer to SiO2 surfaces. The electrical continuity of the graphene films is analyzed using two....... Micro four-point probe resistance values measured on graphene grown on single crystalline copper in two different voltage-current configurations show close agreement with the expected distributions for a continuous 2D conductor, in contrast with previous observations on graphene grown on commercial...

  3. Substrate binding to SGLT1 investigated by single molecule force spectroscopy

    International Nuclear Information System (INIS)

    Neundlinger, I. J.

    2010-01-01

    D-glucose serves as one of the most important fuels in various organism due to its fundamental role in ATP-, protein and lipid synthesis. Thus, sustaining glucose homeostasis is a crucial issue of life as disorders can cause severe malfunctions such as glucose-galactose-malabsorbtion (GGM). Sodium-glucose co-transporter, SGLTs, especially the high affinity transporter SGLT1, play a crucial role in accumulation of glucose in the cell as they facilitate transport of the sugar into the cytoplasma across the cell membrane by a Na+-electrochemical potential. Even recently, members of the SGLT transporter family have become a therapeutic target for the treatment of hyperglycemia in type 2 diabetes. Hence, it is of particular importance to gain insights on the dynamic behavior of SGLTs during substrate binding and transport across the cell membrane on the single molecular level. In the present study, the Atomic Force Microscope (AFM) was employed to investigate the dynamic properties of the sodium-glucose co-transporter SGLT1 upon substrate binding under nearly physiological conditions. Hereto, new glucose derivatives were synthesized in order to probe the recognition efficiency of these molecules to SGLT1 embedded in the plasma membrane of living cells. A well established coupling protocol was used to covalently link (i) amino-modified D-glucose owning a conserved pyranose ring, (ii) 1-thio-β-D-glucose having a sulphur atom at C1 of the pyranose ring and (iii) the competitive inhibitor phlorizin to the AFM tip via poly(ethylene)glycol (PEG)-tether using different functional end groups and varying lengths. Binding characteristics, e.g. binding probability, interaction forces, influence of substances (glucose, phlorizin, sodium) and of molecule-linker compounds were obtained by performing single molecular recognition force spectroscopy (SMRFS) measurements. Moreover, temperature controlled radioactive binding/transport assays and SMRFS experiments yielded insights into

  4. Multi-voxel MR spectroscopic imaging of the brain: utility in clinical setting-initial results

    International Nuclear Information System (INIS)

    Parmar, Hemant; Lim, Tchoyoson C.C.; Yin Hong; Chua, Violet; Khin, Lay-Wai; Raidy, Tom; Hui, Francis

    2005-01-01

    Background and purpose: Compared to single voxel methods, MR spectroscopic imaging (MRSI) of the brain provides metabolic information with improved anatomical coverage and spectral resolution, but may be difficult to perform in the clinical setting. We evaluate the factors influencing spectral quality in MRSI using a semi-automated method, focussing on lipid contamination, and phase correction errors related to magnetic field inhomogeneity. Methods: We retrospectively analysed MRSI studies planned by radiologists and radiographers. Two-dimensional MRSI studies using point-resolved spectroscopy (PRESS) localisation, at long echo time (135 or 144 ms) were acquired on a 1.5 T scanner. Studies that contained lipid contamination and abnormally inverted spectra were reviewed and the latter correlated with anatomic location at the base of skull, and with the area of the region of interest (ROI) studied. Results: Of 128 consecutive MRSI studies, six showed abnormal inverted spectra, of which four were acquired at the base of skull. Multivariate logistic regression analysis showed that study location at the base of skull, but not larger ROI, was a significant predictor for the risk of being affected by inverted spectra (RR for base of skull: 11.76, 95% CI: 1.86-74.18, P = 0.009. RR for area of ROI: 3.68, 95% CI: 0.57-23.67, P = 0.170). Seven studies showed lipid contamination; all were in close proximity to the overlying scalp. Conclusion: Using a semi-automated acquisition and post-processing method, MRSI can be successfully applied in the clinical setting. However, care should be taken to avoid regions of high magnetic field inhomogeneity at the base of skull, and lipid contamination in voxels prescribed near the scalp

  5. Effect of phantom voxelization in CT simulations

    International Nuclear Information System (INIS)

    Goertzen, Andrew L.; Beekman, Freek J.; Cherry, Simon R.

    2002-01-01

    In computer simulations of x-ray CT systems one can either use continuous geometrical descriptions for phantoms or a voxelized representation. The voxelized approach allows arbitrary phantoms to be defined without being confined to geometrical shapes. The disadvantage of the voxelized approach is that inherent errors are introduced due to the phantom voxelization. To study effects of phantom discretization, analytical CT simulations were run for a fan-beam geometry with phantom voxel sizes ranging from 0.0625 to 2 times the reconstructed pixel size and noise levels corresponding to 10 3 -10 7 photons per detector pixel prior to attenuation. The number of rays traced per detector element was varied from 1 to 16. Differences in the filtered backprojection images caused by changing the phantom matrix sizes and number of rays traced were assessed by calculating the difference between reconstructions based on the finest matrix and coarser matrix simulations. In noise free simulations, all phantom matrix sizes produced a measurable difference in comparison with the finest phantom matrix used. When even a small amount of noise was added to the projection data, the differences due to the phantom discretization were masked by the noise, and in all cases there was almost no improvement by using a phantom matrix that was more than twice as fine as the reconstruction matrix. No substantial improvement was achieved by tracing more than 4 rays per detector pixel

  6. Single-Molecule Force Spectroscopy Trajectories of a Single Protein and Its Polyproteins Are Equivalent: A Direct Experimental Validation Based on A Small Protein NuG2.

    Science.gov (United States)

    Lei, Hai; He, Chengzhi; Hu, Chunguang; Li, Jinliang; Hu, Xiaodong; Hu, Xiaotang; Li, Hongbin

    2017-05-22

    Single-molecule force spectroscopy (SMFS) has become a powerful tool in investigating the mechanical unfolding/folding of proteins at the single-molecule level. Polyproteins made of tandem identical repeats have been widely used in atomic force microscopy (AFM)-based SMFS studies, where polyproteins not only serve as fingerprints to identify single-molecule stretching events, but may also improve statistics of data collection. However, the inherent assumption of such experiments is that all the domains in the polyprotein are equivalent and one SMFS trajectory of stretching a polyprotein made of n domains is equivalent to n trajectories of stretching a single domain. Such an assumption has not been validated experimentally. Using a small protein NuG2 and its polyprotein (NuG2) 4 as model systems, here we use optical trapping (OT) to directly validate this assumption. Our results show that OT experiments on NuG2 and (NuG2) 4 lead to identical parameters describing the unfolding and folding kinetics of NuG2, demonstrating that indeed stretching a polyprotein of NuG2 is equivalent to stretching single NuG2 in force spectroscopy experiments and thus validating the use of polyproteins in SMFS experiments. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Effectiveness of revascularization surgery evaluated by proton magnetic resonance spectroscopy and single photon emission computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Uno, Masaaki; Ueda, Shin; Hondo, Hideki; Matsumoto, Keizo; Harada, Masafumi [Tokushima Univ. (Japan). School of Medicine

    1996-08-01

    Proton magnetic resonance spectroscopy (MRS) and single photon emission computed tomography (SPECT) were used to evaluate chronic ischemic regions in 26 stroke patients before and 1, 3, and 6 months after revascularization surgery. The volume of interest for proton MRS was placed in an area including part of the frontal and temporal opercula, insular cortex, and basal ganglia. Twenty healthy volunteers served as controls for proton MRS. Patients were divided into three groups according to the preoperative proton MRS. Group A (n=12) had significantly lower N-acetylaspartate/choline (NAA/Cho) and N-acetylaspartate/creatine (NAA/Cr) ratios on the operative side compared to those on the contralateral side, and also lower than those in normal subjects. In seven patients in Group A, postoperative serial proton MRS demonstrated no recovery of these ratios on the operative side. However, proton MRS of the other five patients indicated gradual improvement in these ratios on the operative side at 3 to 6 months after surgery, and SPECT indicated an increase in cerebral blood flow on the operative side in four of these five patients. In Group B (n=9), proton MRS and SPECT showed no laterality before revascularization and no remarkable change during the postoperative course. In Group C (n=5), NAA/Cho or NAA/Cr decreased on the contralateral side preoperatively. Two patients showed fluctuating values of NAA/Cho or NAA/Cr during the postoperative period. Serial proton MRS and SPECT Studies may be useful for the evaluation of revascularization surgery on ischemic regions. The efficacy of revascularization surgery on the metabolism may appear gradually within 3-6 months. (author)

  8. Single Cell Force Spectroscopy for Quantification of Cellular Adhesion on Surfaces

    Science.gov (United States)

    Christenson, Wayne B.

    Cell adhesion is an important aspect of many biological processes. The atomic force microscope (AFM) has made it possible to quantify the forces involved in cellular adhesion using a technique called single cell force spectroscopy (SCFS). AFM based SCFS offers versatile control over experimental conditions for probing directly the interaction between specific cell types and specific proteins, surfaces, or other cells. Transmembrane integrins are the primary proteins involved in cellular adhesion to the extra cellular matix (ECM). One of the chief integrins involved in the adhesion of leukocyte cells is alpha Mbeta2 (Mac-1). The experiments in this dissertation quantify the adhesion of Mac-1 expressing human embryonic kidney (HEK Mac-1), platelets, and neutrophils cells on substrates with different concentrations of fibrinogen and on fibrin gels and multi-layered fibrinogen coated fibrin gels. It was shown that multi-layered fibrinogen reduces the adhesion force of these cells considerably. A novel method was developed as part of this research combining total internal reflection microscopy (TIRFM) with SCFS allowing for optical microscopy of HEK Mac-1 cells interacting with bovine serum albumin (BSA) coated glass after interacting with multi-layered fibrinogen. HEK Mac-1 cells are able to remove fibrinogen molecules from the multi-layered fibrinogen matrix. An analysis methodology for quantifying the kinetic parameters of integrin-ligand interactions from SCFS experiments is proposed, and the kinetic parameters of the Mac-1 fibrinogen bond are quantified. Additional SCFS experiments quantify the adhesion of macrophages and HEK Mac-1 cells on functionalized glass surfaces and normal glass surfaces. Both cell types show highest adhesion on a novel functionalized glass surface that was prepared to induce macrophage fusion. These experiments demonstrate the versatility of AFM based SCFS, and how it can be applied to address many questions in cellular biology offering

  9. Many-body effect in the partial singles N2,3 photoelectron spectroscopy spectrum of atomic Cd

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    We can extract out the photoelectron kinetic energy (KE) dependent imaginary part of the core-hole self-energy by employing Auger-photoelectron coincidence spectroscopy (APECS). The variation with photoelectron KE in the Auger electron spectroscopy (AES) spectral peak intensity of a selected decay channel measured in coincidence with photoelectrons of a selected KE is the partial singles (non-coincidence) photoelectron spectroscopy (PES) spectrum, i.e., the product of the singles PES one and the branching ratio of the partial Auger decay width of a selected decay channel to the imaginary part of the core-hole self-energy. When a decay channel the partial Auger decay width of which is photoelectron KE independent is selected, we can extract out spectroscopically the imaginary part of the core-hole self-energy because the variation with photoelectron KE in the relative spectral intensity of the partial singles PES spectrum to the singles one is that in the branching ratio of the partial Auger decay width of a selected decay channel. As an example we discussed the N 2,3 -hole self-energy of atomic Cd

  10. Voxel-Based LIDAR Analysis and Applications

    Science.gov (United States)

    Hagstrom, Shea T.

    One of the greatest recent changes in the field of remote sensing is the addition of high-quality Light Detection and Ranging (LIDAR) instruments. In particular, the past few decades have been greatly beneficial to these systems because of increases in data collection speed and accuracy, as well as a reduction in the costs of components. These improvements allow modern airborne instruments to resolve sub-meter details, making them ideal for a wide variety of applications. Because LIDAR uses active illumination to capture 3D information, its output is fundamentally different from other modalities. Despite this difference, LIDAR datasets are often processed using methods appropriate for 2D images and that do not take advantage of its primary virtue of 3-dimensional data. It is this problem we explore by using volumetric voxel modeling. Voxel-based analysis has been used in many applications, especially medical imaging, but rarely in traditional remote sensing. In part this is because the memory requirements are substantial when handling large areas, but with modern computing and storage this is no longer a significant impediment. Our reason for using voxels to model scenes from LIDAR data is that there are several advantages over standard triangle-based models, including better handling of overlapping surfaces and complex shapes. We show how incorporating system position information from early in the LIDAR point cloud generation process allows radiometrically-correct transmission and other novel voxel properties to be recovered. This voxelization technique is validated on simulated data using the Digital Imaging and Remote Sensing Image Generation (DIRSIG) software, a first-principles based ray-tracer developed at the Rochester Institute of Technology. Voxel-based modeling of LIDAR can be useful on its own, but we believe its primary advantage is when applied to problems where simpler surface-based 3D models conflict with the requirement of realistic geometry. To

  11. Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

    Directory of Open Access Journals (Sweden)

    Sandra Posch

    2016-09-01

    Full Text Available We here give information for a deeper understanding of single molecule force spectroscopy (SMFS data through the example of the blood protein von Willebrand factor (VWF. It is also shown, how fitting of rupture forces versus loading rate profiles in the molecular dynamics (MD loading-rate range can be used to demonstrate the qualitative agreement between SMFS and MD simulations. The recently developed model by Bullerjahn, Sturm, and Kroy (BSK was used for this demonstration. Further, Brownian dynamics (BD simulations, which can be utilized to estimate the lifetimes of intramolecular VWF interactions under physiological shear, are described. For interpretation and discussion of the methods and data presented here, we would like to directly point the reader to the related research paper, “Mutual A domain interactions in the force sensing protein von Willebrand Factor” (Posch et al., 2016 [1]. Keywords: Atomic force microscopy, Single molecule force spectroscopy, Molecular dynamics simulation, Brownian dynamics simulation, von Willebrand factor

  12. Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield.

    Science.gov (United States)

    Tizei, Luiz H G; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

    2016-01-01

    Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Single atom spectroscopy: Decreased scattering delocalization at high energy losses, effects of atomic movement and X-ray fluorescence yield

    International Nuclear Information System (INIS)

    Tizei, Luiz H.G.; Iizumi, Yoko; Okazaki, Toshiya; Nakanishi, Ryo; Kitaura, Ryo; Shinohara, Hisanori; Suenaga, Kazu

    2016-01-01

    Single atom localization and identification is crucial in understanding effects which depend on the specific local environment of atoms. In advanced nanometer scale materials, the characteristics of individual atoms may play an important role. Here, we describe spectroscopic experiments (electron energy loss spectroscopy, EELS, and Energy Dispersed X-ray spectroscopy, EDX) using a low voltage transmission electron microscope designed towards single atom analysis. For EELS, we discuss the advantages of using lower primary electron energy (30 keV and 60 keV) and higher energy losses (above 800 eV). The effect of atomic movement is considered. Finally, we discuss the possibility of using atomically resolved EELS and EDX data to measure the fluorescence yield for X-ray emission.

  14. Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

    Science.gov (United States)

    Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

    2008-02-19

    Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

  15. Characterisation of musculoskeletal tumours by multivoxel proton MR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Patni, Ruchi S.; Gogoi, Nripen [Assam Medical College, Department of Radio-diagnosis, Dibrugarh, Assam (India); Boruah, Deb K. [Assam Medical College, Department of Radio-diagnosis, Dibrugarh, Assam (India); M-Lane, RCC-4, Assam Medical College Campus, Dibrugarh, Assam (India); Sanyal, Shantiranjan [Airedale General Hospital, Consultant Radiologist, West Yorkshire (United Kingdom); Gogoi, Bidyut B. [NEIGHRMS, Department of Pathology, Shillong, Meghalaya (India); Patni, Maninder [Geetanjali Medical College, Department of Anesthesiology, Udaipur, Rajasthan (India); Khandelia, Rosy [Assam Medical College, Department of Pathology, Dibrugarh, Assam (India)

    2017-04-15

    The purpose of this study is to evaluate the role of multi-voxel proton MR spectroscopy in differentiating benign and malignant musculoskeletal tumours in a more objective way and to correlate the MRS data parameters with histopathology. A hospital-based prospective study was carried out comprising 42 patients who underwent MRI examinations from 1 July 2013 to 30 June 2014. After routine sequences, single-slice multi-voxel proton MR spectroscopy was included at TE-135 using the PRESS sequence. The voxel with the maximum choline/Cr ratio was used for analysis of data in 32 patients. The strength of association between the MR spectroscopy findings and the nature of tumour and histopathological grading were assessed. Of the 42 patients, the MR spectra were not of diagnostic quality in 10. In the remaining 32 patients, 12 (37.5%) had benign and 20 (62.5%) malignant tumours. The mean choline/Cr ratio was 6.97 ± 5.95 (SD) for benign tumours and 25.39 ± 17.72 (SD) for malignant tumours. In our study statistical significance was noted between the choline/Cr ratio and the histological nature of musculoskeletal tumours (p = 0.002) assessed by unpaired t-test. The choline/Cr ratio and histological grading were also found to be significant (p = 0.001) when assessed by one-way ANOVA test. Multi-voxel MR spectroscopy showed a higher choline/Cr ratio in malignant musculoskeletal tumours than in benign ones (p = 0.002). The choline/Cr ratio and histological grading of musculoskeletal tumours also showed statistical significance (p = 0.001). (orig.)

  16. Optical properties of single semiconductor nanowires and nanowire ensembles. Probing surface physics by photoluminescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pfueller, Carsten

    2011-06-27

    This thesis presents a detailed investigation of the optical properties of semiconductor nanowires (NWs) in general and single GaN NWs and GaN NW ensembles in particular by photoluminescence (PL) spectroscopy. NWs are often considered as potential building blocks for future nanometer-scaled devices. This vision is based on several attractive features that are generally ascribed to NWs. For instance, they are expected to grow virtually free of strain and defects even on substrates with a large structural mismatch. In the first part of the thesis, some of these expectations are examined using semiconductor NWs of different materials. On the basis of the temperature-dependent PL of Au- and selfassisted GaAs/(Al,Ga)As core-shell NWs, the influence of foreign catalyst particles on the optical properties of NWs is investigated. For the Au-assisted NWs, we find a thermally activated, nonradiative recombination channel, possibly related to Auatoms incorporated from the catalyst. These results indicate the limited suitability of catalyst-assisted NWs for optoelectronic applications. The effect of the substrate choice is studied by comparing the PL of ZnO NWs grown on Si, Al{sub 2}O{sub 3}, and ZnO substrates. Their virtually identical optical characteristics indicate that the synthesis of NWs may indeed overcome the constraints that limit the heteroepitaxial deposition of thin films. The major part of this thesis discusses the optical properties of GaN NWs grown on Si substrates. The investigation of the PL of single GaN NWs and GaN NW ensembles reveals the significance of their large surface-to-volume ratio. Differences in the recombination behavior of GaNNW ensembles and GaN layers are observed. First, the large surface-to-volume ratio is discussed to be responsible for the different recombination mechanisms apparent in NWs. Second, certain optical features are only found in the PL of GaN NWs, but not in that of GaN layers. An unexpected broadening of the donor

  17. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang [Columbia Univ., New York, NY (United States); Frisbie, Daniel [Univ. of Minnesota, Minneapolis, MN (United States)

    2017-03-31

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering.

  18. Microfluidic device for continuous single cells analysis via Raman spectroscopy enhanced by integrated plasmonic nanodimers

    KAUST Repository

    Perozziello, Gerardo; Candeloro, Patrizio; De Grazia, Antonio; Esposito, Francesco; Allione, Marco; Coluccio, Maria Laura; Tallerico, Rossana; Valpapuram, Immanuel; Tirinato, Luca; Das, Gobind; Giugni, Andrea; Torre, Bruno; Veltri, Pierangelo; Kruhne, Ulrich; Della Valle, Giuseppe; Di Fabrizio, Enzo M.

    2015-01-01

    In this work a Raman flow cytometer is presented. It consists of a microfluidic device that takes advantages of the basic principles of Raman spectroscopy and flow cytometry. The microfluidic device integrates calibrated microfluidic channels- where

  19. Whole-body voxel-based personalized dosimetry: Multiple voxel S-value approach for heterogeneous media with non-uniform activity distributions.

    Science.gov (United States)

    Lee, Min Sun; Kim, Joong Hyun; Paeng, Jin Chul; Kang, Keon Wook; Jeong, Jae Min; Lee, Dong Soo; Lee, Jae Sung

    2017-12-14

    Personalized dosimetry with high accuracy is becoming more important because of the growing interests in personalized medicine and targeted radionuclide therapy. Voxel-based dosimetry using dose point kernel or voxel S-value (VSV) convolution is available. However, these approaches do not consider medium heterogeneity. Here, we propose a new method for whole-body voxel-based personalized dosimetry for heterogeneous media with non-uniform activity distributions, which is referred to as the multiple VSV approach. Methods: The multiple numbers (N) of VSVs for media with different densities covering the whole-body density ranges were used instead of using only a single VSV for water. The VSVs were pre-calculated using GATE Monte Carlo simulation; those were convoluted with the time-integrated activity to generate density-specific dose maps. Computed tomography-based segmentation was conducted to generate binary maps for each density region. The final dose map was acquired by the summation of N segmented density-specific dose maps. We tested several sets of VSVs with different densities: N = 1 (single water VSV), 4, 6, 8, 10, and 20. To validate the proposed method, phantom and patient studies were conducted and compared with direct Monte Carlo, which was considered the ground truth. Finally, patient dosimetry (10 subjects) was conducted using the multiple VSV approach and compared with the single VSV and organ-based dosimetry approaches. Errors at the voxel- and organ-levels were reported for eight organs. Results: In the phantom and patient studies, the multiple VSV approach showed significant improvements regarding voxel-level errors, especially for the lung and bone regions. As N increased, voxel-level errors decreased, although some overestimations were observed at lung boundaries. In the case of multiple VSVs ( N = 8), we achieved voxel-level errors of 2.06%. In the dosimetry study, our proposed method showed much improved results compared to the single VSV and

  20. Reconstruction of voxel phantoms for skin dosimetry

    International Nuclear Information System (INIS)

    Antunes, Paula Cristina Guimaraes

    2010-01-01

    Radiotherapy is a therapeutic modality that utilizes ionizing radiation for the destruction of neoplastic human cells. One of the requirements for this treatment methodology success lays on the appropriate use of planning systems, which performs, among other information, the patient's dose distribution estimate. Nowadays, transport codes have been providing huge subsidies to these planning systems, once it enables specific and accurate patient organ and tissue dosimetry. The model utilized by these codes to describe the human anatomy in a realistic way is known as voxel phantoms, which are represented by discrete volume elements (voxels) directly associated to tomographic data. Nowadays, voxel phantoms doable of being inserted and processed by the transport code MCNP (Monte Carlo N-Particle) presents a 3-4 mm image resolution; however, such resolution limits some thin body structure discrimination, such as skin. In this context, this work proposes a calculus routine that discriminates this region with thickness and localization in the voxel phantoms similar to the real, leading to an accurate dosimetric skin dose assessment by the MCNP code. Moreover, this methodology consists in manipulating the voxel phantoms volume elements by segmenting and subdividing it in different skin thickness. In addition to validate the skin dose calculated data, a set of experimental evaluations with thermoluminescent dosimeters were performed in an anthropomorphic phantom. Due to significant differences observed on the dose distribution of several skin representations, it was found that is important to discriminate the skin thickness similar to the real. The presented methodology is useful to obtain an accurate skin dosimetric evaluation for several radiotherapy procedures, with particular interest on the electron beam radiotherapy, in which highlights the whole body irradiation therapy (TSET), a procedure under implementation at the Hospital das Clinicas da Faculdade de Medicina da

  1. High-resolution gas-phase spectroscopy of a single-bond axle rotary motor

    NARCIS (Netherlands)

    Maltseva, Elena; Amirjalayer, Saeed; Cnossen, Arjen; Browne, Wesley R.; Feringa, Ben L.; Buma, Wybren Jan

    2017-01-01

    High-resolution laser spectroscopy in combination with molecular beams and mass-spectrometry has been applied to study samples of a prototypical rotary motor. Vibrationally well-resolved excitation spectra have been recorded that are assigned, however, to a structural isomer of the original rotary

  2. Separation of viable and non-viable tomato (Solanum lycopersicum L.) seeds using single seed near-infrared spectroscopy

    DEFF Research Database (Denmark)

    Shrestha, Santosh; Deleuran, Lise Christina; Gislum, René

    2017-01-01

    Single seed near-infrared (NIR) spectroscopy is a non-destructive technology commonly used for predicting lipids, proteins, carbohydrates and water content of agricultural products. The aim of the current study is to investigate the prospects of NIR spectroscopy in classifying viable and non...... identified as important for classification of viable and non-viable tomato seeds by iPLS-DA. The sensitivity i.e. ability to correctly identify the positive samples and specificity i.e. ability to reject the negative samples of the (iPLS-DA) model on identified spectral regions for prediction of viable......-viable tomato seeds of two cultivars using chemometrics. The data exploration were performed by principal component analysis (PCA). Subsequently, viable and non-viable seeds were classified by partial least squares-discriminant analysis (PLS-DA) and interval PLS-DA (iPLS-DA). The indication of clustering...

  3. Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time Resolved Spectroscopy

    KAUST Repository

    Maity, Partha; Mohammed, Omar F.; Katsiev, Khabiboulakh; Idriss, Hicham

    2018-01-01

    as the best model for fundamental studies. Their ultrafast charge carrier dynamics especially on TiO2 anatase single crystal (the most active phase) are unresolved. Here femtosecond time resolved spectroscopy (TRS) was carried out to explore the dynamics

  4. A novel aptasensor based on single-molecule force spectroscopy for highly sensitive detection of mercury ions.

    Science.gov (United States)

    Li, Qing; Michaelis, Monika; Wei, Gang; Colombi Ciacchi, Lucio

    2015-08-07

    We have developed a novel aptasensor based on single-molecule force spectroscopy (SMFS) capable of detecting mercury ions (Hg(2+)) with sub-nM sensitivity. The single-strand (ss) DNA aptamer used in this work is rich in thymine (T) and readily forms T-Hg(2+)-T complexes in the presence of Hg(2+). The aptamer was conjugated to an atomic force microscope (AFM) probe, and the adhesion force between the probe and a flat graphite surface was measured by single-molecule force spectroscopy (SMFS). The presence of Hg(2+) ions above a concentration threshold corresponding to the affinity constant of the ions for the aptamer (about 5 × 10(9) M(-1)) could be easily detected by a change of the measured adhesion force. With our chosen aptamer, we could reach an Hg(2+) detection limit of 100 pM, which is well below the maximum allowable level of Hg(2+) in drinking water. In addition, this aptasensor presents a very high selectivity for Hg(2+) over other metal cations, such as K(+), Ca(2+), Zn(2+), Fe(2+), and Cd(2+). Furthermore, the effects of the ionic strength and loading rate on the Hg(2+) detection were evaluated. Its simplicity, reproducibility, high selectivity and sensitivity make our SMFS-based aptasensor advantageous with respect to other current Hg(2+) sensing methods. It is expected that our strategy can be exploited for monitoring the pollution of water environments and the safety of potentially contaminated food.

  5. Interactive voxel graphics in virtual reality

    Science.gov (United States)

    Brody, Bill; Chappell, Glenn G.; Hartman, Chris

    2002-06-01

    Interactive voxel graphics in virtual reality poses significant research challenges in terms of interface, file I/O, and real-time algorithms. Voxel graphics is not so new, as it is the focus of a good deal of scientific visualization. Interactive voxel creation and manipulation is a more innovative concept. Scientists are understandably reluctant to manipulate data. They collect or model data. A scientific analogy to interactive graphics is the generation of initial conditions for some model. It is used as a method to test those models. We, however, are in the business of creating new data in the form of graphical imagery. In our endeavor, science is a tool and not an end. Nevertheless, there is a whole class of interactions and associated data generation scenarios that are natural to our way of working and that are also appropriate to scientific inquiry. Annotation by sketching or painting to point to and distinguish interesting and important information is very significant for science as well as art. Annotation in 3D is difficult without a good 3D interface. Interactive graphics in virtual reality is an appropriate approach to this problem.

  6. Physical and chemical study of single aerosol particles using optical trapping cavity ringdown spectroscopy

    Science.gov (United States)

    2016-08-30

    scope that views the trapped particle walking through the ringdown beam step by step. (b) An image that shows the traces of the particle (MWCNT... walking through the RD beam . 5 a b c Fig.3 The OT-CRDS single particle scope views oscillations of a trapped particle. (a) Image of a trapped...and walking single carbon- nanotube particles of ?50 µm in size and viewing those properties via changes of ringdown time. This single- aerosol

  7. Comparison of cortical activation in an upper limb added-purpose task versus a single-purpose task: a near-infrared spectroscopy study

    OpenAIRE

    Huang, Fubiao; Hirano, Daisuke; Shi, Yun; Taniguchi, Takamichi

    2015-01-01

    [Purpose] The purpose of this study was to compare prefrontal activations during an added-purpose task with those during a single-purpose task using functional near-infrared spectroscopy. [Subjects] Six healthy right-handed adults were included in this study. [Methods] The participants were instructed to complete both added-purpose and single-purpose activities separately with each hand. The near-infrared spectroscopy probes were placed on the scalp overlying the prefrontal cortex, according ...

  8. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    Science.gov (United States)

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition. Copyright © 2016, American Association for the Advancement of Science.

  9. Dielectrophoretic positioning of single nanoparticles on atomic force microscope tips for tip-enhanced Raman spectroscopy.

    Science.gov (United States)

    Leiterer, Christian; Deckert-Gaudig, Tanja; Singh, Prabha; Wirth, Janina; Deckert, Volker; Fritzsche, Wolfgang

    2015-05-01

    Tip-enhanced Raman spectroscopy, a combination of Raman spectroscopy and scanning probe microscopy, is a powerful technique to detect the vibrational fingerprint of molecules at the nanometer scale. A metal nanoparticle at the apex of an atomic force microscope tip leads to a large enhancement of the electromagnetic field when illuminated with an appropriate wavelength, resulting in an increased Raman signal. A controlled positioning of individual nanoparticles at the tip would improve the reproducibility of the probes and is quite demanding due to usually serial and labor-intensive approaches. In contrast to commonly used submicron manipulation techniques, dielectrophoresis allows a parallel and scalable production, and provides a novel approach toward reproducible and at the same time affordable tip-enhanced Raman spectroscopy tips. We demonstrate the successful positioning of an individual plasmonic nanoparticle on a commercial atomic force microscope tip by dielectrophoresis followed by experimental proof of the Raman signal enhancing capabilities of such tips. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Protein and oil composition predictions of single soybeans by transmission Raman spectroscopy.

    Science.gov (United States)

    Schulmerich, Matthew V; Walsh, Michael J; Gelber, Matthew K; Kong, Rong; Kole, Matthew R; Harrison, Sandra K; McKinney, John; Thompson, Dennis; Kull, Linda S; Bhargava, Rohit

    2012-08-22

    The soybean industry requires rapid, accurate, and precise technologies for the analyses of seed/grain constituents. While the current gold standard for nondestructive quantification of economically and nutritionally important soybean components is near-infrared spectroscopy (NIRS), emerging technology may provide viable alternatives and lead to next generation instrumentation for grain compositional analysis. In principle, Raman spectroscopy provides the necessary chemical information to generate models for predicting the concentration of soybean constituents. In this communication, we explore the use of transmission Raman spectroscopy (TRS) for nondestructive soybean measurements. We show that TRS uses the light scattering properties of soybeans to effectively homogenize the heterogeneous bulk of a soybean for representative sampling. Working with over 1000 individual intact soybean seeds, we developed a simple partial least-squares model for predicting oil and protein content nondestructively. We find TRS to have a root-mean-standard error of prediction (RMSEP) of 0.89% for oil measurements and 0.92% for protein measurements. In both calibration and validation sets, the predicative capabilities of the model were similar to the error in the reference methods.

  11. Photoinduced Optical Spectroscopy of La2CuO4+x Single Crystals and C60 Thin Films

    International Nuclear Information System (INIS)

    Bazhenov, A.V.; Gorbunov, A.V.; Timofeev, V.B.

    1995-01-01

    The evolution of both vibration and electronic spectra of insulating La 2 CuO 4+x single crystals upon charge-transfer gap photoexcitation has been studied by means of photoinduced reflection spectroscopy. Interaction of self-localized hole with some of the A g , B 2g (B 3g ), B 3u optical phonons has been observed. Formation of self-localized hole state and its multiparticle complexes is supposed. Photoinduced absorption in C 60 thin films has been found to differ essentially from that in cuprates

  12. Investigation of electrically-active deep levels in single-crystalline diamond by particle-induced charge transient spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kada, W., E-mail: kada.wataru@gunma-u.ac.jp [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kambayashi, Y.; Ando, Y. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Onoda, S. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Umezawa, H.; Mokuno, Y. [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Shikata, S. [Kwansei Gakuin Univ., 2-1, Gakuen, Mita, Hyogo 669-1337 (Japan); Makino, T.; Koka, M. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Hanaizumi, O. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kamiya, T.; Ohshima, T. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan)

    2016-04-01

    To investigate electrically-active deep levels in high-resistivity single-crystalline diamond, particle-induced charge transient spectroscopy (QTS) techniques were performed using 5.5 MeV alpha particles and 9 MeV carbon focused microprobes. For unintentionally-doped (UID) chemical vapor deposition (CVD) diamond, deep levels with activation energies of 0.35 eV and 0.43 eV were detected which correspond to the activation energy of boron acceptors in diamond. The results suggested that alpha particle and heavy ion induced QTS techniques are the promising candidate for in-situ investigation of deep levels in high-resistivity semiconductors.

  13. Raman spectroscopy study of the doping effect of the encapsulated terbium halogenides on single-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Kharlamova, M.V.; Kramberger, C.; Mittelberger, A. [University of Vienna, Faculty of Physics, Vienna (Austria)

    2017-04-15

    In the present work, the doping effect of terbium chloride, terbium bromide, and terbium iodide on single-walled carbon nanotubes (SWCNTs) was compared by Raman spectroscopy. A precise investigation of the doping-induced alterations of the Raman modes of the filled SWCNTs was conducted. The shifts of the components of the Raman modes and modification of their profiles allowed concluding that the inserted terbium halogenides have acceptor doping effect on the SWCNTs, and the doping efficiency increases in the line with terbium iodide, terbium bromide, and terbium chloride. (orig.)

  14. VOXEL-BASED APPROACH FOR ESTIMATING URBAN TREE VOLUME FROM TERRESTRIAL LASER SCANNING DATA

    Directory of Open Access Journals (Sweden)

    C. Vonderach

    2012-07-01

    Full Text Available The importance of single trees and the determination of related parameters has been recognized in recent years, e.g. for forest inventories or management. For urban areas an increasing interest in the data acquisition of trees can be observed concerning aspects like urban climate, CO2 balance, and environmental protection. Urban trees differ significantly from natural systems with regard to the site conditions (e.g. technogenic soils, contaminants, lower groundwater level, regular disturbance, climate (increased temperature, reduced humidity and species composition and arrangement (habitus and health status and therefore allometric relations cannot be transferred from natural sites to urban areas. To overcome this problem an extended approach was developed for a fast and non-destructive extraction of branch volume, DBH (diameter at breast height and height of single trees from point clouds of terrestrial laser scanning (TLS. For data acquisition, the trees were scanned with highest scan resolution from several (up to five positions located around the tree. The resulting point clouds (20 to 60 million points are analysed with an algorithm based on voxel (volume elements structure, leading to an appropriate data reduction. In a first step, two kinds of noise reduction are carried out: the elimination of isolated voxels as well as voxels with marginal point density. To obtain correct volume estimates, the voxels inside the stem and branches (interior voxels where voxels contain no laser points must be regarded. For this filling process, an easy and robust approach was developed based on a layer-wise (horizontal layers of the voxel structure intersection of four orthogonal viewing directions. However, this procedure also generates several erroneous "phantom" voxels, which have to be eliminated. For this purpose the previous approach was extended by a special region growing algorithm. In a final step the volume is determined layer-wise based on the

  15. Force Spectroscopy of Hyaluronan by AFM; From H-bonded Networks Towards Single Chain Behavior

    NARCIS (Netherlands)

    Giannotti, M.I.; Rinaudo, Marguerite; Vancso, Gyula J.

    2007-01-01

    The conformational behavior of hyaluronan (HA) polysaccharide chains in aqueous NaCl solution was characterized directly at the single-molecule level. This comunication reports on one of the first single-chain atomic force microscopy (AFM) experiments performed at variable temperatures,

  16. Study of human brain functions by functional magnetic resonance imaging (fMRI) and spectroscopy (fMRS)

    International Nuclear Information System (INIS)

    Jagannathan, N.R.

    1998-01-01

    Functional magnetic resonance imaging (fMRI) has become a powerful tool in the detection and assessment of cerebral pathophysiology and the regional mapping and characterization of cognitive processes such as motor skills, vision, language and memory. The results of the effect of motor cortex stimulation during repetitive hand squeezing task activation using in-vivo single voxel NMR spectroscopy carried out on normal volunteer subjects are presented

  17. QSpec: online control and data analysis system for single-cell Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Lihui Ren

    2014-06-01

    Full Text Available Single-cell phenotyping is critical to the success of biological reductionism. Raman-activated cell sorting (RACS has shown promise in resolving the dynamics of living cells at the individual level and to uncover population heterogeneities in comparison to established approaches such as fluorescence-activated cell sorting (FACS. Given that the number of single-cells would be massive in any experiment, the power of Raman profiling technique for single-cell analysis would be fully utilized only when coupled with a high-throughput and intelligent process control and data analysis system. In this work, we established QSpec, an automatic system that supports high-throughput Raman-based single-cell phenotyping. Additionally, a single-cell Raman profile database has been established upon which data-mining could be applied to discover the heterogeneity among single-cells under different conditions. To test the effectiveness of this control and data analysis system, a sub-system was also developed to simulate the phenotypes of single-cells as well as the device features.

  18. Repurposing a Benchtop Centrifuge for High-Throughput Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Yang, Darren; Wong, Wesley P

    2018-01-01

    We present high-throughput single-molecule manipulation using a benchtop centrifuge, overcoming limitations common in other single-molecule approaches such as high cost, low throughput, technical difficulty, and strict infrastructure requirements. An inexpensive and compact Centrifuge Force Microscope (CFM) adapted to a commercial centrifuge enables use by nonspecialists, and integration with DNA nanoswitches facilitates both reliable measurements and repeated molecular interrogation. Here, we provide detailed protocols for constructing the CFM, creating DNA nanoswitch samples, and carrying out single-molecule force measurements.

  19. Exploring abiotic stress on asynchronous protein metabolism in single kernels of wheat studied by NMR spectroscopy and chemometrics

    DEFF Research Database (Denmark)

    Winning, H.; Viereck, N.; Wollenweber, B.

    2009-01-01

    at the vegetative growth stage had little effect on the parameters investigated. For the first time, H-1 HR-MAS NMR spectra of grains taken during grain-filling were analysed by an advanced multiway model. In addition to the results from the chemical protein analysis and the H-1 HR-MAS NMR spectra of single kernels...... was to examine the implications of different drought treatments on the protein fractions in grains of winter wheat using H-1 nuclear magnetic resonance spectroscopy followed by chemometric analysis. Triticum aestivum L. cv. Vinjett was studied in a semi-field experiment and subjected to drought episodes either...... at terminal spikelet, during grain-filling or at both stages. Principal component trajectories of the total protein content and the protein fractions of flour as well as the H-1 NMR spectra of single wheat kernels, wheat flour, and wheat methanol extracts were analysed to elucidate the metabolic development...

  20. Influence of picosecond multiple/single line ablation on copper nanoparticles fabricated for surface enhanced Raman spectroscopy and photonics applications

    International Nuclear Information System (INIS)

    Hamad, Syed; Tewari, Surya P; Podagatlapalli, G Krishna; Rao, S Venugopal

    2013-01-01

    A comprehensive study comprising fabrication of copper nanoparticles (NPs) using picosecond (ps) multiple/single line ablation in various solvents such as acetone, dichloromethane (DCM), acetonitrile (ACN) and chloroform followed by optical, nonlinear optical (NLO), and surface enhanced Raman spectroscopy (SERS) characterization was performed. The influence of surrounding liquid media and the writing conditions resulted in fabrication of Cu NPs in acetone, CuCl NPs in DCM, CuO NPs in ACN and CuCl 2 NPs in chloroform. Prepared colloids were characterized through transmission electron microscopy, energy dispersive x-ray spectra, selected area electron diffraction and UV-visible absorption spectra. A detailed investigation of the surface enhanced Raman scattering (SERS) activity and the ps NLO properties of the colloids prepared through multiple/single line ablation techniques revealed that the best performance was achieved by Cu NPs for SERS applications and CuCl 2 NPs for NLO applications. (paper)

  1. An investigation into the use of micro-Raman spectroscopy for the analysis of car paints and single textile fibres

    Science.gov (United States)

    Zięba-Palus, Janina; Wąs-Gubała, Jolanta

    2011-05-01

    Micro-Raman spectroscopy was applied to identification and differentiation between criminalistic traces such as micropaint chips and single fibres. The aim was to determine the degree of discrimination between fibres coloured by defined chemical dye classes and to differentiate between paint samples on the basis of pigment/dye content. Samples of coloured cotton fibres and samples of green car paints were examined. It was found that the majority of the obtained Raman spectra provided information about the main dyes present in the sample. However, in some cases fluorescence of the samples made dye identification impossible. Spectral libraries for examined paint samples and single fibres were created in order to facilitate quick recognition of similar forensic traces using this analytical method.

  2. Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes

    DEFF Research Database (Denmark)

    Pirrotta, Alessandro; De Vico, Luca; Solomon, Gemma C.

    2017-01-01

    to inform about molecular recognition events at the single-molecule limit. For this, we consider the force-conductance characteristics of a prototypical class of hydrogen bonded bimolecular complexes sandwiched between gold electrodes. The complexes consist of derivatives of a barbituric acid and a Hamilton...... is mechanically manipulated. The implication is that force and conductance provide complementary information about the evolution of molecules in junctions that can be used to interrogate basic structure-transport relations at the single-molecule limit....

  3. Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

    OpenAIRE

    Hyeon, Changbong

    2010-01-01

    In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

  4. Blinking effect and the use of quantum dots in single molecule spectroscopy

    International Nuclear Information System (INIS)

    Rombach-Riegraf, Verena; Oswald, Peter; Bienert, Roland; Petersen, Jan; Domingo, M.P.; Pardo, Julian; Gräber, P.; Galvez, E.M.

    2013-01-01

    Highlights: ► It is possible to eliminate the blinking effect of a water-soluble QD. ► We provide a direct method to study protein function and dynamics at the single level. ► QD, potent tool for single molecule studies of biochemical and biological processes. -- Abstract: Luminescent semiconductor nanocrystals (quantum dots, QD) have unique photo-physical properties: high photostability, brightness and narrow size-tunable fluorescence spectra. Due to their unique properties, QD-based single molecule studies have become increasingly more popular during the last years. However QDs show a strong blinking effect (random and intermittent light emission), which may limit their use in single molecule fluorescence studies. QD blinking has been widely studied and some hypotheses have been done to explain this effect. Here we summarise what is known about the blinking effect in QDs, how this phenomenon may affect single molecule studies and, on the other hand, how the “on”/“off” states can be exploited in diverse experimental settings. In addition, we present results showing that site-directed binding of QD to cysteine residues of proteins reduces the blinking effect. This option opens a new possibility of using QDs to study protein–protein interactions and dynamics by single molecule fluorescence without modifying the chemical composition of the solution or the QD surface.

  5. Blinking effect and the use of quantum dots in single molecule spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rombach-Riegraf, Verena; Oswald, Peter; Bienert, Roland; Petersen, Jan [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany); Domingo, M.P. [Instituto de Carboquimica (CSIC), Miguel Luesma 4, 50018 Zaragoza (Spain); Pardo, Julian [Grupo Apoptosis, Inmunidad y Cancer, Departamento Bioquimica y Biologia Molecular y Celular, Fac. Ciencias, Universidad de Zaragoza, Zaragoza (Spain); Fundacion Aragon I-D (ARAID), Gobierno de Aragon, Zaragoza (Spain); Immune Effector Cells Group, Aragon Health Research Institute (IIS Aragon), Biomedical Research Centre of Aragon (CIBA) Fundacion Aragon I-D - ARAID, Gobierno de Aragon, Zaragoza (Spain); Graeber, P. [Albert-Ludwigs-Universitaet Freiburg, Institut fuer Physikalische Chemie, Albertstrasse 23a, 79104 Freiburg (Germany); Galvez, E.M., E-mail: eva@icb.csic.es [Instituto de Carboquimica (CSIC), Miguel Luesma 4, 50018 Zaragoza (Spain); Immune Effector Cells Group, Aragon Health Research Institute (IIS Aragon), Biomedical Research Centre of Aragon (CIBA) Fundacion Aragon I-D - ARAID, Gobierno de Aragon, Zaragoza (Spain)

    2013-01-04

    Highlights: Black-Right-Pointing-Pointer It is possible to eliminate the blinking effect of a water-soluble QD. Black-Right-Pointing-Pointer We provide a direct method to study protein function and dynamics at the single level. Black-Right-Pointing-Pointer QD, potent tool for single molecule studies of biochemical and biological processes. -- Abstract: Luminescent semiconductor nanocrystals (quantum dots, QD) have unique photo-physical properties: high photostability, brightness and narrow size-tunable fluorescence spectra. Due to their unique properties, QD-based single molecule studies have become increasingly more popular during the last years. However QDs show a strong blinking effect (random and intermittent light emission), which may limit their use in single molecule fluorescence studies. QD blinking has been widely studied and some hypotheses have been done to explain this effect. Here we summarise what is known about the blinking effect in QDs, how this phenomenon may affect single molecule studies and, on the other hand, how the 'on'/'off' states can be exploited in diverse experimental settings. In addition, we present results showing that site-directed binding of QD to cysteine residues of proteins reduces the blinking effect. This option opens a new possibility of using QDs to study protein-protein interactions and dynamics by single molecule fluorescence without modifying the chemical composition of the solution or the QD surface.

  6. Detecting infrared luminescence and non-chemical signaling of living cells: single cell mid-IR spectroscopy in cryogenic environments

    Science.gov (United States)

    Pereverzev, Sergey

    2017-02-01

    Many life-relevant interaction energies are in IR range, and it is reasonable to believe that some biochemical reactions inside cells can results in emission of IR photons. Cells can use this emission for non-chemical and non-electrical signaling. Detecting weak infrared radiation from live cells is complicated because of strong thermal radiation background and absorption of radiation by tissues. A microfluidic device with live cells inside a vacuum cryogenic environment should suppress this background, and thereby permit observation of live cell auto-luminescence or signaling in the IR regime. One can make IR-transparent windows not emitting in this range, so only the cell and a small amount of liquid around it will emit infrared radiation. Currently mid-IR spectroscopy of single cells requires the use of a synchrotron source to measure absorption or reflection spectra. Decreasing of thermal radiation background will allow absorption and reflection spectroscopy of cells without using synchrotron light. Moreover, cell auto-luminescence can be directly measured. The complete absence of thermal background radiation for cryogenically cooled samples allows the use IR photon-sensitive detectors and obtaining single molecule sensitivity in IR photo-luminescence measurements. Due to low photon energies, photo-luminescence measurements will be non-distractive for pressures samples. The technique described here is based upon US patent 9366574.

  7. A comparison of single particle tracking and temporal image correlation spectroscopy for quantitative analysis of endosome motility

    DEFF Research Database (Denmark)

    Lund, F. W.; Wustner, D.

    2013-01-01

    Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used for measu......Single particle tracking (SPT) is becoming a standard method to extract transport parameters from time-lapse image sequences of fluorescent vesicles in living cells. Another method to obtain these data is temporal image correlation spectroscopy (TICS), but this method is less often used...... for measurement of intracellular vesicle transport. Here, we present an extensive comparison of SPT and TICS. First we examine the effect of photobleaching, shading and noise on SPT and TICS analysis using simulated image sequences. To this end, we developed a simple photophysical model, which relates spatially...... varying illumination intensity to the bleaching propensity and fluorescence intensity of the moving particles. We found that neither SPT nor TICS are affected by photobleaching per se, but the transport parameters obtained by both methods are sensitive to the signal-to-noise ratio. In addition, the number...

  8. Insights into the Interactions of Amino Acids and Peptides with Inorganic Materials Using Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Das, Priyadip; Duanias-Assaf, Tal; Reches, Meital

    2017-03-06

    The interactions between proteins or peptides and inorganic materials lead to several interesting processes. For example, combining proteins with minerals leads to the formation of composite materials with unique properties. In addition, the undesirable process of biofouling is initiated by the adsorption of biomolecules, mainly proteins, on surfaces. This organic layer is an adhesion layer for bacteria and allows them to interact with the surface. Understanding the fundamental forces that govern the interactions at the organic-inorganic interface is therefore important for many areas of research and could lead to the design of new materials for optical, mechanical and biomedical applications. This paper demonstrates a single-molecule force spectroscopy technique that utilizes an AFM to measure the adhesion force between either peptides or amino acids and well-defined inorganic surfaces. This technique involves a protocol for attaching the biomolecule to the AFM tip through a covalent flexible linker and single-molecule force spectroscopy measurements by atomic force microscope. In addition, an analysis of these measurements is included.

  9. Assessment of Isocitrate Dehydrogenase mutational status in cerebral gliomas by in vivo Magnetic Resonance Spectroscopy

    DEFF Research Database (Denmark)

    Tietze, Anna; Oettingen, Gorm von; Sangill, Ryan

    concentrations in normal tissue or in gliomas with wildtype IDH. It has recently been shown that 2-HG is detectable non-invasively by clinical Magnetic Resonance Spectroscopy (MRS) [2]. The aim of our study is to establish 2-HG MRS in patients suspected for cerebral gliomas on a clinical Magnetic Resonance (MR......) system. Material and Methods: We performed pre-surgical MRS in four grade 3 glioma patients. A standard MR protocol was combined with an optimized MRS sequence (single-voxel point-resolved spectroscopy)[3]. Metabolite quantification was performed using an unsuppressed water signal as reference...

  10. Potential Fluctuations and Localization Effects in CZTS Single Crystals, as Revealed by Optical Spectroscopy

    Science.gov (United States)

    Bleuse, Joël; Ducroquet, Frédérique; Mariette, Henri

    2018-03-01

    Reports on Cu_2 ZnSn(S_x Se_{1-x} )_4 (CZTSSe) solar cell devices all show an open-circuit voltage lower than expected, especially when compared to CuIn_x Ga_{1-x} (S,Se)_2 devices, which reduces their power efficiency and delays their development. A high concentration of intrinsic defects in CZTSSe, and their stabilization through neutral complex formation, which induces some local fluctuations, are at the origin of local energy shifts in the conduction and valence band edges. The implied band tail in Cu_2 ZnSnS_4 is studied in this work by combining three types of optical spectroscopy data: emission spectra compared to photoluminescence excitation spectroscopy, emission spectra as a function of excitation power, and time-resolved photoluminescence spectra. All these data converge to show that both the bandgap and the band tail of localized states just below are dependent on the degree of order/disorder in the Cu/Zn cation sublattice of the quaternary structure: in the more ordered structures, the bandgap increases by about 50 meV, and the energy range of the band tail is decreased from about 110 to 70 meV.

  11. Enhanced Single Seed Trait Predictions in Soybean (Glycine max) and Robust Calibration Model Transfer with Near-Infrared Reflectance Spectroscopy.

    Science.gov (United States)

    Hacisalihoglu, Gokhan; Gustin, Jeffery L; Louisma, Jean; Armstrong, Paul; Peter, Gary F; Walker, Alejandro R; Settles, A Mark

    2016-02-10

    Single seed near-infrared reflectance (NIR) spectroscopy predicts soybean (Glycine max) seed quality traits of moisture, oil, and protein. We tested the accuracy of transferring calibrations between different single seed NIR analyzers of the same design by collecting NIR spectra and analytical trait data for globally diverse soybean germplasm. X-ray microcomputed tomography (μCT) was used to collect seed density and shape traits to enhance the number of soybean traits that can be predicted from single seed NIR. Partial least-squares (PLS) regression gave accurate predictive models for oil, weight, volume, protein, and maximal cross-sectional area of the seed. PLS models for width, length, and density were not predictive. Although principal component analysis (PCA) of the NIR spectra showed that black seed coat color had significant signal, excluding black seeds from the calibrations did not impact model accuracies. Calibrations for oil and protein developed in this study as well as earlier calibrations for a separate NIR analyzer of the same design were used to test the ability to transfer PLS regressions between platforms. PLS models built from data collected on one NIR analyzer had minimal differences in accuracy when applied to spectra collected from a sister device. Model transfer was more robust when spectra were trimmed from 910 to 1679 nm to 955-1635 nm due to divergence of edge wavelengths between the two devices. The ability to transfer calibrations between similar single seed NIR spectrometers facilitates broader adoption of this high-throughput, nondestructive, seed phenotyping technology.

  12. Controlled assembly and single electron charging of monolayer protected Au144 clusters: an electrochemistry and scanning tunneling spectroscopy study

    Science.gov (United States)

    Bodappa, Nataraju; Fluch, Ulrike; Fu, Yongchun; Mayor, Marcel; Moreno-García, Pavel; Siegenthaler, Hans; Wandlowski, Thomas

    2014-11-01

    Single gold particles may serve as room temperature single electron memory units because of their size dependent electronic level spacing. Here, we present a proof-of-concept study by electrochemically controlled scanning probe experiments performed on tailor-made Au particles of narrow dispersity. In particular, the charge transport characteristics through chemically synthesized hexane-1-thiol and 4-pyridylbenzene-1-thiol mixed monolayer protected Au144 clusters (MPCs) by differential pulse voltammetry (DPV) and electrochemical scanning tunneling spectroscopy (EC-STS) are reported. The pyridyl groups exposed by the Au-MPCs enable their immobilization on Pt(111) substrates. By varying the humidity during their deposition, samples coated by stacks of compact monolayers of Au-MPCs or decorated with individual, laterally separated Au-MPCs are obtained. DPV experiments with stacked monolayers of Au144-MPCs and EC-STS experiments with laterally separated individual Au144-MPCs are performed both in aqueous and ionic liquid electrolytes. Lower capacitance values were observed for individual clusters compared to ensemble clusters. This trend remains the same irrespective of the composition of the electrolyte surrounding the Au144-MPC. However, the resolution of the energy level spacing of the single clusters is strongly affected by the proximity of neighboring particles.Single gold particles may serve as room temperature single electron memory units because of their size dependent electronic level spacing. Here, we present a proof-of-concept study by electrochemically controlled scanning probe experiments performed on tailor-made Au particles of narrow dispersity. In particular, the charge transport characteristics through chemically synthesized hexane-1-thiol and 4-pyridylbenzene-1-thiol mixed monolayer protected Au144 clusters (MPCs) by differential pulse voltammetry (DPV) and electrochemical scanning tunneling spectroscopy (EC-STS) are reported. The pyridyl groups

  13. Molecular electronics of a single photosystem I reaction center: Studies with scanning tunneling microscopy and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, I.; Lee, J.W.; Warmack, R.J.; Allison, D.P.; Greenbaum, E. [Oak Ridge National Lab., TN (United States)

    1995-03-14

    Thylakoids and photosystem I (PSI) reaction centers were imaged by scanning tunneling microscopy. The thylakoids were isolated from spinach chloroplasts, and PSI reaction centers were extracted from thylakoid membranes. Because thylakoids are relatively thick nonconductors, they were sputter-coated with Pd/Au before imaging. PSI photosynthetic centers and chemically platinized PSI were investigated without sputter-coating. They were mounted on flat gold substrates that had been treated with mercaptoacetic acid to help bind the proteins. With tunneling spectroscopy, the PSI centers displayed a semiconductor-like response with a band gap of 1.8 eV. Lightly platinized (platinized for 1 hr) centers displayed diode-like conduction that resulted in dramatic contrast changes between images taken with opposite bias voltages. The electronic properties of this system were stable under long-term storage. 42 refs., 7 figs.

  14. Electron energy-loss spectroscopy of single nanocrystals: mapping of tin allotropes

    Science.gov (United States)

    Roesgaard, Søren; Ramasse, Quentin; Chevallier, Jacques; Fyhn, Mogens; Julsgaard, Brian

    2018-05-01

    Using monochromated electron energy-loss spectroscopy (EELS), we are able to map different allotropes in Sn-nanocrystals embedded in Si. It is demonstrated that α-Sn and β-Sn, as well as an interface related plasmon, can be distinguished in embedded Sn-nanostructures. The EELS data is interpreted by standard non-negative matrix factorization followed by a manual Lorentzian decomposition. The decomposition allows for a more physical understanding of the EELS mapping without reducing the level of information. Extending the analysis from a reference system to smaller nanocrystals demonstrates that allotrope determination in nanoscale systems down below 5 nm is possible. Such local information proves the use of monochromated EELS mapping as a powerful technique to study nanoscale systems. This possibility enables investigation of small nanostructures that cannot be investigated through other means, allowing for a better understanding and thus leading to realizations that can result in nanomaterials with improved properties.

  15. Single-molecule spectroscopy reveals photosynthetic LH2 complexes switch between emissive states.

    Science.gov (United States)

    Schlau-Cohen, Gabriela S; Wang, Quan; Southall, June; Cogdell, Richard J; Moerner, W E

    2013-07-02

    Photosynthetic organisms flourish under low light intensities by converting photoenergy to chemical energy with near unity quantum efficiency and under high light intensities by safely dissipating excess photoenergy and deleterious photoproducts. The molecular mechanisms balancing these two functions remain incompletely described. One critical barrier to characterizing the mechanisms responsible for these processes is that they occur within proteins whose excited-state properties vary drastically among individual proteins and even within a single protein over time. In ensemble measurements, these excited-state properties appear only as the average value. To overcome this averaging, we investigate the purple bacterial antenna protein light harvesting complex 2 (LH2) from Rhodopseudomonas acidophila at the single-protein level. We use a room-temperature, single-molecule technique, the anti-Brownian electrokinetic trap, to study LH2 in a solution-phase (nonperturbative) environment. By performing simultaneous measurements of fluorescence intensity, lifetime, and spectra of single LH2 complexes, we identify three distinct states and observe transitions occurring among them on a timescale of seconds. Our results reveal that LH2 complexes undergo photoactivated switching to a quenched state, likely by a conformational change, and thermally revert to the ground state. This is a previously unobserved, reversible quenching pathway, and is one mechanism through which photosynthetic organisms can adapt to changes in light intensities.

  16. Room-temperature near-field reflection spectroscopy of single quantum wells

    DEFF Research Database (Denmark)

    Langbein, Wolfgang Werner; Hvam, Jørn Marcher; Madsen, Steen

    1997-01-01

    . This technique suppresses efficiently the otherwise dominating far-field background and reduces topographic artifacts. We demonstrate its performance on a thin, strained near-surface CdS/ZnS single quantum well at room temperature. The optical structure of these topographically flat samples is due to Cd...

  17. A low-temperature sample orienting device for single crystal spectroscopy at the SNS

    Energy Technology Data Exchange (ETDEWEB)

    Sherline, T E; Solomon, L; Roberts, C K II; Bruce, D; Gaulin, B; Granroth, G E, E-mail: sherlinete@ornl.gov

    2010-11-01

    A low temperature sample orientation device providing three axes of rotation has been successfully built and is in testing for use on several spectrometers at the spallation neutron source (SNS). Sample rotation about the vertical ({omega}) axis of nearly 360 deg. and out of plane tilts ({phi} and v) of from -3.4 deg. to 4.4 deg. and from -2.8 deg. to 3.5 deg., respectively, are possible. An off-the-shelf closed cycle refrigerator (CCR) is mounted on a room temperature sealed rotary flange providing {omega} rotations of the sample. Out-of-plane tilts are made possible by piezoelectric actuated angular positioning devices mounted on the low temperature head of the CCR. Novel encoding devices based on magnetoresistive sensors have been developed to measure the tilt stage angles. This combination facilitates single crystal investigations from room temperature to 3.1 K. Commissioning experiments of the rotating CCR for both powder and single crystal samples have been performed on the ARCS spectrometer at the SNS. For the powder sample this device was used to continuously rotate the sample and thus average out any partial orientation of the powder. The powder rings observed in S(Q) are presented. For the single crystal sample, the rotation was used to probe different regions of momentum transfer (Q-space). Laue patterns obtained from a single crystal sample at two rotation angles are presented.

  18. Anisotropic interactions of a single spin and dark-spin spectroscopy in diamond

    Science.gov (United States)

    Epstein, R. J.; Mendoza, F. M.; Kato, Y. K.; Awschalom, D. D.

    2005-11-01

    Experiments on single nitrogen-vacancy (N-V) centres in diamond, which include electron spin resonance, Rabi oscillations, single-shot spin readout and two-qubit operations with a nearby13C nuclear spin, show the potential of this spin system for solid-state quantum information processing. Moreover, N-V centre ensembles can have spin-coherence times exceeding 50 μs at room temperature. We have developed an angle-resolved magneto-photoluminescence microscope apparatus to investigate the anisotropic electron-spin interactions of single N-V centres at room temperature. We observe negative peaks in the photoluminescence as a function of both magnetic-field magnitude and angle that are explained by coherent spin precession and anisotropic relaxation at spin-level anti-crossings. In addition, precise field alignment unmasks the resonant coupling to neighbouring `dark' nitrogen spins, otherwise undetected by photoluminescence. These results demonstrate the capability of our spectroscopic technique for measuring small numbers of dark spins by means of a single bright spin under ambient conditions.

  19. MCD spectroscopy of hexanuclear Mn(III) salicylaldoxime single-molecule magnets

    DEFF Research Database (Denmark)

    Bradley, Justin M; Thomson, Andrew J; Inglis, Ross

    2010-01-01

    The hexanuclear cages [Mn(6)O(2)(R-sao)(6)L(2)(EtOH)(x)(H(2)O)(y)] "Mn(6)" behave as single-molecule magnets (SMMs) below a characteristic blocking temperature. As with [Mn(12)O(12)(O(2)CR)(16)(H(2)O)(4)] "Mn(12)" the electronic absorption spectra are rather featureless, yielding little information......)(MeOH)(3)](ClO(4)) (4) cast into polymer film. SMM behaviour has previously been observed using magnetic susceptibility measurements on powder and single-crystal samples. The ligand field environment of the magnetic ions is assumed to be similar in (1) and (2) and their different blocking temperatures...

  20. Optical spectroscopy of single, planar, self-assembled InAs/InP quantum dots

    International Nuclear Information System (INIS)

    Kim, D.; Williams, R.L.; Lefebvre, J.; Lapointe, J.; Reimer, M.E.; Mckee, J.; Poole, P.J.

    2006-01-01

    We present optical spectra from numerous, single, self-assembled InAs/InP quantum dots. More than 50 individual dots are studied that emit in the 1.1-1.6 mm wavelength range. The dots are of high optical quality as judged by the clean, single exciton emission line at low power, the resolution limited linewidth, and the brightness. Each dot exhibits similar trends in the power evolution spectra, despite large variations in height and diameter. The level splittings in the p -shell increase with decreasing height, which we interpret to be from dot elongation along the [01 anti 1] direction. The evolution of the spectra with increasing power agrees well with predictions from effective bond orbital calculations. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Exploring Biomolecular Interactions Through Single-Molecule Force Spectroscopy and Computational Simulation

    OpenAIRE

    Yang, Darren

    2016-01-01

    Molecular interactions between cellular components such as proteins and nucleic acids govern the fundamental processes of living systems. Technological advancements in the past decade have allowed the characterization of these molecular interactions at the single-molecule level with high temporal and spatial resolution. Simultaneously, progress in computer simulation has enabled theoretical research at the atomistic level, assisting in the interpretation of experimental results. This thesi...

  2. Single-molecule spectroscopy of amino acids and peptides by recognition tunnelling

    Science.gov (United States)

    Zhao, Yanan; Ashcroft, Brian; Zhang, Peiming; Liu, Hao; Sen, Suman; Song, Weisi; Im, Jongone; Gyarfas, Brett; Manna, Saikat; Biswas, Sovan; Borges, Chad; Lindsay, Stuart

    2014-06-01

    The human proteome has millions of protein variants due to alternative RNA splicing and post-translational modifications, and variants that are related to diseases are frequently present in minute concentrations. For DNA and RNA, low concentrations can be amplified using the polymerase chain reaction, but there is no such reaction for proteins. Therefore, the development of single-molecule protein sequencing is a critical step in the search for protein biomarkers. Here, we show that single amino acids can be identified by trapping the molecules between two electrodes that are coated with a layer of recognition molecules, then measuring the electron tunnelling current across the junction. A given molecule can bind in more than one way in the junction, and we therefore use a machine-learning algorithm to distinguish between the sets of electronic `fingerprints' associated with each binding motif. With this recognition tunnelling technique, we are able to identify D and L enantiomers, a methylated amino acid, isobaric isomers and short peptides. The results suggest that direct electronic sequencing of single proteins could be possible by sequentially measuring the products of processive exopeptidase digestion, or by using a molecular motor to pull proteins through a tunnel junction integrated with a nanopore.

  3. Single crystal growth, characterization and high-pressure Raman spectroscopy of impurity-free magnesite (MgCO3)

    Science.gov (United States)

    Liang, Wen; Li, Zeming; Yin, Yuan; Li, Rui; Chen, Lin; He, Yu; Dong, Haini; Dai, Lidong; Li, Heping

    2018-05-01

    The understanding of the physical and chemical properties of magnesite (MgCO3) under deep-mantle conditions is highly important to capture the essence of deep-carbon storage in Earth's interior. To develop standard rating scales, the impurity-free magnesite single crystal, paying particular attention to the case of avoiding adverse impacts of Ca2+, Fe2+, and Mn2+ impurities in natural magnesite, is undoubtedly necessary for all research of magnesite, including crystalline structural phase transitions, anisotropic elasticity and conductivity, and equation of state (EoS). Thus, a high-quality single crystal of impurity-free magnesite was grown successfully for the first time using the self-flux method under high pressure-temperature conditions. The size of the magnesite single crystal, observed in a plane-polarized microscope, exceeds 200 μm, and the crystal exhibits a rhombohedral structure to cleave along the (101) plane. In addition, its composition of Mg0.999 ± 0.001CO3 was quantified through electron probing analysis. The structural property was investigated by means of single crystal X-ray diffraction and the unit cell dimensions obtained in the rhombohedral symmetry of the R\\bar {3}c space group are a = 4.6255 (3) and c = 14.987 (2), and the final R = 0.0243 for 718 reflections. High-pressure Raman spectroscopy of the magnesite single crystal was performed up to 27 GPa at ambient temperature. All Raman active bands, ν i, without any splitting increased almost linearly with increasing pressure. In combination with the high-pressure Raman results {{d/ν _i}}{{{d}P}} and the bulk modulus K T (103 GPa) reported from magnesite EoS studies, the mode Grüneisen parameters (1.49, 1.40, 0.26, and 0.27) of each vibration ( T, L, ν 4, and ν 1) were calculated.

  4. Probing the Kinetic Anabolism of Poly-Beta-Hydroxybutyrate in Cupriavidus necator H16 Using Single-Cell Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Zhanhua Tao

    2016-08-01

    Full Text Available Poly-beta-hydroxybutyrate (PHB can be formed in large amounts in Cupriavidus necator and is important for the industrial production of biodegradable plastics. In this investigation, laser tweezers Raman spectroscopy (LTRS was used to characterize dynamic changes in PHB content—as well as in the contents of other common biomolecule—in C. necator during batch growth at both the population and single-cell levels. PHB accumulation began in the early stages of bacterial growth, and the maximum PHB production rate occurred in the early and middle exponential phases. The active biosynthesis of DNA, RNA, and proteins occurred in the lag and early exponential phases, whereas the levels of these molecules decreased continuously during the remaining fermentation process until the minimum values were reached. The PHB content inside single cells was relatively homogenous in the middle stage of fermentation; during the late growth stage, the variation in PHB levels between cells increased. In addition, bacterial cells in various growth phases could be clearly discriminated when principle component analysis was performed on the spectral data. These results suggest that LTRS is a valuable single-cell analysis tool that can provide more comprehensive information about the physiological state of a growing microbial population.

  5. Effects of temperature and other experimental variables on single molecule vibrational spectroscopy with the scanning tunneling microscope

    International Nuclear Information System (INIS)

    Lauhon, L. J.; Ho, W.

    2001-01-01

    Inelastic electron tunneling spectroscopy (IETS) was performed on single molecules with a variable temperature scanning tunneling microscope. The peak intensity, width, position, and line shape of single molecule vibrational spectra were studied as a function of temperature, modulation bias, bias polarity, and tip position for the (C--H,C--D) stretching vibration of acetylene (C 2 H 2 ,C 2 D 2 ) on Cu(001). The temperature broadening of vibrational peaks was found to be a consequence of Fermi smearing as in macroscopic IETS. The modulation broadening of vibrational peaks assumed the expected form for IETS. Extrapolation of the peak width to zero temperature and modulation suggested an intrinsic width of ∼4 meV due primarily to instrumental broadening. The inelastic tunneling cross section at negative bias was reduced by a factor of 1.7 for the C--H stretch mode. Low energy modes of other molecules did not show such a reduction. There was no evidence of a tip-induced Stark shift in the peak positions. The spatial variation of the inelastic signal was measured to determine the junction stability necessary for the acquisition of single molecule vibrational spectra

  6. Secondary plasma formation after single pulse laser ablation underwater and its advantages for laser induced breakdown spectroscopy (LIBS).

    Science.gov (United States)

    Gavrilović, M R; Cvejić, M; Lazic, V; Jovićević, S

    2016-06-07

    In this work we present studies of spatial and temporal plasma evolution after single pulse ablation of an aluminium target in water. The laser ablation was performed using 20 ns long pulses emitted at 1064 nm. The plasma characterization was performed by fast photography, the Schlieren technique, shadowgraphy and optical emission spectroscopy. The experimental results indicate the existence of two distinct plasma stages: the first stage has a duration of approximately 500 ns from the laser pulse, and is followed by a new plasma growth starting from the crater center. The secondary plasma slowly evolves inside the growing vapor bubble, and its optical emission lasts over several tens of microseconds. Later, the hot glowing particles, trapped inside the vapor cavity, were detected during the whole cycle of the bubble, where the first collapse occurs after 475 μs from the laser pulse. Differences in the plasma properties during the two evolution phases are discussed, with an accent on the optical emission since its detection is of primary importance for LIBS. Here we demonstrate that the LIBS signal quality in single pulse excitation underwater can be greatly enhanced by detecting only the secondary plasma emission, and also by applying long acquisition gates (in the order of 10-100 μs). The presented results are of great importance for LIBS measurements inside a liquid environment, since they prove that a good analytical signal can be obtained by using nanosecond pulses from a single commercial laser source and by employing cost effective, not gated detectors.

  7. Auger electron spectroscopy analysis for growth interface of cubic boron nitride single crystals synthesized under high pressure and high temperature

    Science.gov (United States)

    Lv, Meizhe; Xu, Bin; Cai, Lichao; Guo, Xiaofei; Yuan, Xingdong

    2018-05-01

    After rapid cooling, cubic boron nitride (c-BN) single crystals synthesized under high pressure and high temperature (HPHT) are wrapped in the white film powders which are defined as growth interface. In order to make clear that the transition mechanism of c-BN single crystals, the variation of B and N atomic hybrid states in the growth interface is analyzed with the help of auger electron spectroscopy in the Li-based system. It is found that the sp2 fractions of B and N atoms decreases, and their sp3 fractions increases from the outer to the inner in the growth interface. In addition, Lithium nitride (Li3N) are not found in the growth interface by X-ray diffraction (XRD) experiment. It is suggested that lithium boron nitride (Li3BN2) is produced by the reaction of hexagonal boron nitride (h-BN) and Li3N at the first step, and then B and N atoms transform from sp2 into sp3 state with the catalysis of Li3BN2 in c-BN single crystals synthesis process.

  8. Discriminating Intercalative Effects of Threading Intercalator Nogalamycin, from Classical Intercalator Daunomycin, Using Single Molecule Atomic Force Spectroscopy.

    Directory of Open Access Journals (Sweden)

    T Banerjee

    Full Text Available DNA threading intercalators are a unique class of intercalating agents, albeit little biophysical information is available on their intercalative actions. Herein, the intercalative effects of nogalamycin, which is a naturally-occurring DNA threading intercalator, have been investigated by high-resolution atomic force microscopy (AFM and spectroscopy (AFS. The results have been compared with those of the well-known chemotherapeutic drug daunomycin, which is a non-threading classical intercalator bearing structural similarity to nogalamycin. A comparative AFM assessment revealed a greater increase in DNA contour length over the entire incubation period of 48 h for nogalamycin treatment, whereas the contour length increase manifested faster in case of daunomycin. The elastic response of single DNA molecules to an externally applied force was investigated by the single molecule AFS approach. Characteristic mechanical fingerprints in the overstretching behaviour clearly distinguished the nogalamycin/daunomycin-treated dsDNA from untreated dsDNA-the former appearing less elastic than the latter, and the nogalamycin-treated DNA distinguished from the daunomycin-treated DNA-the classically intercalated dsDNA appearing the least elastic. A single molecule AFS-based discrimination of threading intercalation from the classical type is being reported for the first time.

  9. Discriminating Intercalative Effects of Threading Intercalator Nogalamycin, from Classical Intercalator Daunomycin, Using Single Molecule Atomic Force Spectroscopy.

    Science.gov (United States)

    Banerjee, T; Banerjee, S; Sett, S; Ghosh, S; Rakshit, T; Mukhopadhyay, R

    2016-01-01

    DNA threading intercalators are a unique class of intercalating agents, albeit little biophysical information is available on their intercalative actions. Herein, the intercalative effects of nogalamycin, which is a naturally-occurring DNA threading intercalator, have been investigated by high-resolution atomic force microscopy (AFM) and spectroscopy (AFS). The results have been compared with those of the well-known chemotherapeutic drug daunomycin, which is a non-threading classical intercalator bearing structural similarity to nogalamycin. A comparative AFM assessment revealed a greater increase in DNA contour length over the entire incubation period of 48 h for nogalamycin treatment, whereas the contour length increase manifested faster in case of daunomycin. The elastic response of single DNA molecules to an externally applied force was investigated by the single molecule AFS approach. Characteristic mechanical fingerprints in the overstretching behaviour clearly distinguished the nogalamycin/daunomycin-treated dsDNA from untreated dsDNA-the former appearing less elastic than the latter, and the nogalamycin-treated DNA distinguished from the daunomycin-treated DNA-the classically intercalated dsDNA appearing the least elastic. A single molecule AFS-based discrimination of threading intercalation from the classical type is being reported for the first time.

  10. Generation of Small Single Domain Nanobody Binders for Sensitive Detection of Testosterone by Electrochemical Impedance Spectroscopy.

    Science.gov (United States)

    Li, Guanghui; Zhu, Min; Ma, Lu; Yan, Junrong; Lu, Xiaoling; Shen, Yanfei; Wan, Yakun

    2016-06-08

    A phage display library of variable domain of the heavy chain only antibody or nanobody (Nb) was constructed after immunizing a bactrian camel with testosterone. With the smaller molecular size (15 kDa), improved solubility, good stability, high affinity, specificity, and lower immunogenicity, Nbs are a promising tool in the next generation of diagnosis and medical applications. Testosterone is a reproductive hormone, playing an important role in normal cardiac function and being the highly predictive marker for many diseases. Herein, a simple and sensitive immunosensor based on electrochemical impedance spectroscopy (EIS) and Nbs was successfully developed for the determination of testosterone. We successfully isolated the antitestosterone Nbs from an immune phage display library. Moreover, one of the Nbs was biotinylated according to in vivo BirA system, which showed the highest production yield and the most stable case. Further, the EIS immunosensor was set up for testosterone detection by applying the biotinylated antitestosterone Nb. As a result, the biosensor exhibited a linear working range from 0.05 to 5 ng mL(-1) with a detection limit of 0.045 ng mL(-1). In addition, the proposed immunosensor was successfully applied in determining testosterone in serum samples. In conclusion, the proposed immunosensor revealed high specificity of testosterone detection and showed as a potential approach for sensitive and accurate diagnosis of testosterone.

  11. Atomization efficiency and photon yield in laser-induced breakdown spectroscopy analysis of single nanoparticles in an optical trap

    Science.gov (United States)

    Purohit, Pablo; Fortes, Francisco J.; Laserna, J. Javier

    2017-04-01

    Laser-induced breakdown spectroscopy (LIBS) was employed for investigating the influence of particle size on the dissociation efficiency and the absolute production of photons per mass unit of airborne solid graphite spheres under single-particle regime. Particles of average diameter of 400 nm were probed and compared with 2 μm particles. Samples were first catapulted into aerosol form and then secluded in an optical trap set by a 532 nm laser. Trap stability was quantified before subjecting particles to LIBS analysis. Fine alignment of the different lines comprising the optical catapulting-optical trapping-laser-induced breakdown spectroscopy instrument and tuning of excitation parameters conditioning the LIBS signal such as fluence and acquisition delay are described in detail with the ultimate goal of acquiring clear spectroscopic data on masses as low as 75 fg. The atomization efficiency and the photon yield increase as the particle size becomes smaller. Time-resolved plasma imaging studies were conducted to elucidate the mechanisms leading to particle disintegration and excitation.

  12. Raman spectroscopy of individual monocytes reveals that single-beam optical trapping of mononuclear cells occurs by their nucleus

    International Nuclear Information System (INIS)

    Fore, Samantha; Chan, James; Taylor, Douglas; Huser, Thomas

    2011-01-01

    We show that laser tweezers Raman spectroscopy of eukaryotic cells with a significantly larger diameter than the tight focus of a single-beam laser trap leads to optical trapping of the cell by its optically densest part, i.e. typically the cell's nucleus. Raman spectra of individual optically trapped monocytes are compared with location-specific Raman spectra of monocytes adhered to a substrate. When the cell's nucleus is stained with a fluorescent live cell stain, the Raman spectrum of the DNA-specific stain is observed only in the nucleus of individual monocytes. Optically trapped monocytes display the same behavior. We also show that the Raman spectra of individual monocytes exhibit the characteristic Raman signature of cells that have not yet fully differentiated and that individual primary monocytes can be distinguished from transformed monocytes based on their Raman spectra. This work provides further evidence that laser tweezers Raman spectroscopy of individual cells provides meaningful biochemical information in an entirely non-destructive fashion that permits discerning differences between cell types and cellular activity

  13. Single-photon cesium Rydberg excitation spectroscopy using 318.6-nm UV laser and room-temperature vapor cell.

    Science.gov (United States)

    Wang, Jieying; Bai, Jiandong; He, Jun; Wang, Junmin

    2017-09-18

    We demonstrate a single-photon Rydberg excitation spectroscopy of cesium (Cs) atoms in a room-temperature vapor cell. Cs atoms are excited directly from 6S 1/2 ground state to nP 3/2 (n = 70 - 100) Rydberg states with a 318.6 nm ultraviolet (UV) laser, and Rydberg excitation spectra are obtained by transmission enhancement of a probe beam resonant to Cs 6S 1/2 , F = 4 - 6P 3/2 , F' = 5 transition as partial population on F = 4 ground state are transferred to Rydberg state. Analysis reveals that the observed spectra are velocity-selective spectroscopy of Rydberg state, from which the amplitude and linewidth influenced by lasers' Rabi frequency have been investigated. Fitting to energies of Cs nP 3/2 (n = 70 -100) states, the determined quantum defect is 3.56671(42). The demodulated spectra can also be employed as frequency references to stabilize the UV laser frequency to specific Cs Rydberg transition.

  14. Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopy

    Science.gov (United States)

    Borgia, Alessandro; Wensley, Beth G.; Soranno, Andrea; Nettels, Daniel; Borgia, Madeleine B.; Hoffmann, Armin; Pfeil, Shawn H.; Lipman, Everett A.; Clarke, Jane; Schuler, Benjamin

    2012-01-01

    Theory, simulations and experimental results have suggested an important role of internal friction in the kinetics of protein folding. Recent experiments on spectrin domains provided the first evidence for a pronounced contribution of internal friction in proteins that fold on the millisecond timescale. However, it has remained unclear how this contribution is distributed along the reaction and what influence it has on the folding dynamics. Here we use a combination of single-molecule Förster resonance energy transfer, nanosecond fluorescence correlation spectroscopy, microfluidic mixing and denaturant- and viscosity-dependent protein-folding kinetics to probe internal friction in the unfolded state and at the early and late transition states of slow- and fast-folding spectrin domains. We find that the internal friction affecting the folding rates of spectrin domains is highly localized to the early transition state, suggesting an important role of rather specific interactions in the rate-limiting conformational changes. PMID:23149740

  15. The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

    Directory of Open Access Journals (Sweden)

    Takayoshi Kobayashi

    2013-02-01

    Full Text Available Chemical bond breaking and formation during chemical reactions can be observed using “transition state spectroscopy”. Comparing the measurement result of the transition state spectroscopy with the simulation result of single direct-dynamics trajectory, we have elucidated the reaction dynamics of Claisen rearrangement of allyl vinyl ether. Observed the reaction of the neat sample liquid, we have estimated the time constants of transformation from straight-chain structure to aromatic-like six-membered ring structure forming the C1-C6 bond. The result clarifies that the reaction proceeds via three steps taking longer time than expected from the gas phase calculation. This finding provides new hypothesis and discussions, helping the development of the field of reaction mechanism analysis.

  16. The Israeli EA-FEL Upgrade Towards Long Pulse Operation for Ultra-High Resolution Single Pulse Coherent Spectroscopy

    CERN Document Server

    Gover, A; Kanter, M; Kapilevich, B; Litvak, B; Peleg, S; Socol, Y; Volshonok, M

    2005-01-01

    The Israeli Electrostatic Accelerator FEL (EA-FEL) is now being upgraded towards long pulse (1005s) operation and ultra-high resolution (10(-6)) single pulse coherent spectroscopy. We present quantitative estimations regarding the applications of controlled radiation chirp for spectroscopic applications with pulse-time Fourier Transform limited spectral resolution. Additionally, we describe a novel extraction-efficiency-improving scheme based on increase of accelerating voltage (boosting) after saturation is achieved. The efficiency of the proposed scheme is confirmed by theoretical and numerical calculations. The latter are performed using software, based on 3D space-frequency domain model. The presentation provides an overview of the upgrade status: the high-voltage terminal is being reconfigured to accept the accelerating voltage boost system; a new broad band low-loss resonator is being manufactured; multi-stage depressed collector is assembled.

  17. Characterization of deep level defects in Tl6I4S single crystals by photo-induced current transient spectroscopy

    International Nuclear Information System (INIS)

    Peters, J A; Liu, Z; Sebastian, M; Wessels, B W; Im, J; Freeman, A J; Nguyen, S; Kanatzidis, M G

    2015-01-01

    Defect levels in semi-insulating Tl 6 I 4 S single crystals grown by the horizontal Bridgman technique have been characterized using photo-induced current transient spectroscopy (PICTS). These measurements revealed six electron traps located at (0.059  ±  0.007), (0.13  ±  0.012), (0.31  ±  0.074), (0.39  ±  0.019), (0.62  ±  0.110), and (0.597  ±  0.105). These defect levels are attributed to vacancies (V I , V S ) and antisite defects (I S , Tl S , Tl I ) upon comparison to calculations of native defect energy levels using density functional theory and defects recently reported from photoluminescence and photoconductivity measurements. (paper)

  18. Quantifying the number of color centers in single fluorescent nanodiamonds by photon correlation spectroscopy and Monte Carlo simulation

    International Nuclear Information System (INIS)

    Hui, Y.Y.; Chang, Y.-R.; Lee, H.-Y.; Chang, H.-C.; Lim, T.-S.; Fann Wunshain

    2009-01-01

    The number of negatively charged nitrogen-vacancy centers (N-V) - in fluorescent nanodiamond (FND) has been determined by photon correlation spectroscopy and Monte Carlo simulations at the single particle level. By taking account of the random dipole orientation of the multiple (N-V) - fluorophores and simulating the probability distribution of their effective numbers (N e ), we found that the actual number (N a ) of the fluorophores is in linear correlation with N e , with correction factors of 1.8 and 1.2 in measurements using linearly and circularly polarized lights, respectively. We determined N a =8±1 for 28 nm FND particles prepared by 3 MeV proton irradiation

  19. Tip-Enhanced Nano-Spectroscopy, Imaging, and Control: From Single Molecules to van der Waals Materials

    Science.gov (United States)

    Park, Kyoung-Duck

    Photon-induced phenomena in molecules and other materials play a significant role in device applications as well as understanding their physical properties. While a range of device applications using organic and inorganic molecules and soft and hard materials have led striking developments in modern technologies, using bulk systems has reached the limit in their functions, performance, and regarding application range. Recently, low-dimensional systems have emerged as appealing resources for the advanced technologies based on their significantly improved functions and properties. Hence, understanding light-matter interactions at their natural length scale is of fundamental significance, in addition to the next generation device applications. This thesis demonstrates a range of new functions and behaviors of low-dimensional materials revealed and controlled by the advanced tip-enhanced near-field spectroscopy and imaging techniques exceeding the current instrumental limits. To understand the behaviors of zero-dimensional (0D) molecular systems in interacting environments, we explore new regimes in tip-enhanced Raman spectroscopy (TERS) and scanning near-field optical microscopy (SNOM), revealing the fundamental nature of single-molecule dynamics and nanoscale spatial heterogeneity of biomolecules on the cell membranes. To gain insight into intramolecular properties and dynamic processes of single molecules, we use TERS at cryogenic temperatures. From temperature-dependent line narrowing and splitting, we investigate and quantify ultrafast vibrational dephasing, intramolecular coupling, and conformational heterogeneity. Through correlation analysis of fluctuations of individual modes, we observe rotational motion and spectral fluctuations of single-molecule. We extend single-molecule spectroscopy study into in situ nano-biomolecular imaging of cancer cells by developing in-liquid SNOM. We use a new mechanical resonance control, achieving a high-Q force sensing of the

  20. Luminescence spectroscopy of Rb2KTiOF5 oxyfluoride single crystals

    Science.gov (United States)

    Kozlov, A. V.; Pustovarov, V. A.; Sarychev, M. N.; Isaenko, L. I.

    2017-09-01

    Spectra of photoluminescence (PL) and X-ray excited luminescence (XRL) in region of 1.5-5.5 eV, PL excitation spectra using synchrotron radiation (3.7-22 eV), time-resolved impulse cathode-luminescence (ICL) spectra, the temperature depending of the XRL, decay kinetics as well as thermoluminescence curves were measured for single crystals Rb2KTiOF5, a promising nonlinear optical material. Single crystals are transparent in microwave, visible and near UV range, inter-band transition energy is Eg = 4.2 eV. Crystalline structure has two disordered mixed position O/F, phase transition in the region of 215 K. All the obtained results indicate that in luminescence spectra nonelementary band 2.2 eV is connected to the emission of self-trapped excitons. Nonelementary band 2.2 eV associated with the presence local distortion in the octahedron TiOF5. It is observed that at interband excitation in VUV region at energies more than 3.5 Eg the effect of multiplication of electronic excitations appears. That determines the high output of XRL and ICL. Luminescence methods of quality control of grown crystals are proposed.

  1. Probing Single Nanometer-scale Particles with Scanning Tunneling Microscopy and Spectroscopies

    International Nuclear Information System (INIS)

    McCarty, G.S.; Love, J.C.; Kushmerick, J.G.; Charles, L.F.; Keating, C.D.; Toleno, B.J.; Lyn, M.E.; Castleman, A.W.; Natan, M.J.; Weiss, P.S.

    1999-01-01

    Scanning tunneling microscopy can be used to isolate single particles on surfaces for further study. Local optical and electronic properties coupled with topographic information collected by the scanning tunneling microscope (STM) give insight into the intrinsic properties of the species under study. Since each spectroscopic measurement is done on a single particle, each sample is 'monodisperse', regardless of the degree of heterogeneity of the original preparation. We illustrate this with three example systems - a metal cluster of known atomic structure, metal nanoparticles dispersed from colloid suspensions, and metallocarbohedrenes (Met-Cars) deposited with other reaction products. Au and Ag nanoparticles were imaged using a photon emission STM. The threshold voltage, the lowest bias voltage at which photons are produced, was determined for Au nanoparticles. Electronic spectra of small clusters of Ni atoms on MoS 2 were recorded. Preliminary images of Zr-based Met-Car-containing soot were obtained on Au and MoS 2 substrates and partial electronic spectra were recorded of these possible Met-Car particles

  2. Excitonic Coupling in Linear and Trefoil Trimer Perylenediimide Molecules Probed by Single-Molecule Spectroscopy

    KAUST Repository

    Yoo, Hyejin

    2012-10-25

    Perylenediimide (PDI) molecules are promising building blocks for photophysical studies of electronic interactions within multichromophore arrays. Such PDI arrays are important materials for fabrication of molecular nanodevices such as organic light-emitting diodes, organic semiconductors, and biosensors because of their high photostability, chemical and physical inertness, electron affinity, and high tinctorial strength over the entire visible spectrum. In this work, PDIs have been organized into linear (L3) and trefoil (T3) trimer molecules and investigated by single-molecule fluorescence microscopy to probe the relationship between molecular structures and interchromophoric electronic interactions. We found a broad distribution of coupling strengths in both L3 and T3 and hence strong/weak coupling between PDI units by monitoring spectral peak shifts in single-molecule fluorescence spectra upon sequential photobleaching of each constituent chromophore. In addition, we used a wide-field defocused imaging technique to resolve heterogeneities in molecular structures of L3 and T3 embedded in a PMMA polymer matrix. A systematic comparison between the two sets of experimental results allowed us to infer the correlation between intermolecular interactions and molecular structures. Our results show control of the PDI intermolecular interactions using suitable multichromophoric structures. © 2012 American Chemical Society.

  3. Excitonic Coupling in Linear and Trefoil Trimer Perylenediimide Molecules Probed by Single-Molecule Spectroscopy

    KAUST Repository

    Yoo, Hyejin; Furumaki, Shu; Yang, Jaesung; Lee, Ji-Eun; Chung, Heejae; Oba, Tatsuya; Kobayashi, Hiroyuki; Rybtchinski, Boris; Wilson, Thea M.; Wasielewski, Michael R.; Vacha, Martin; Kim, Dongho

    2012-01-01

    Perylenediimide (PDI) molecules are promising building blocks for photophysical studies of electronic interactions within multichromophore arrays. Such PDI arrays are important materials for fabrication of molecular nanodevices such as organic light-emitting diodes, organic semiconductors, and biosensors because of their high photostability, chemical and physical inertness, electron affinity, and high tinctorial strength over the entire visible spectrum. In this work, PDIs have been organized into linear (L3) and trefoil (T3) trimer molecules and investigated by single-molecule fluorescence microscopy to probe the relationship between molecular structures and interchromophoric electronic interactions. We found a broad distribution of coupling strengths in both L3 and T3 and hence strong/weak coupling between PDI units by monitoring spectral peak shifts in single-molecule fluorescence spectra upon sequential photobleaching of each constituent chromophore. In addition, we used a wide-field defocused imaging technique to resolve heterogeneities in molecular structures of L3 and T3 embedded in a PMMA polymer matrix. A systematic comparison between the two sets of experimental results allowed us to infer the correlation between intermolecular interactions and molecular structures. Our results show control of the PDI intermolecular interactions using suitable multichromophoric structures. © 2012 American Chemical Society.

  4. A single-beam titration method for the quantification of open-path Fourier transform infrared spectroscopy

    International Nuclear Information System (INIS)

    Sung, Lung-Yu; Lu, Chia-Jung

    2014-01-01

    This study introduced a quantitative method that can be used to measure the concentration of analytes directly from a single-beam spectrum of open-path Fourier Transform Infrared Spectroscopy (OP-FTIR). The peak shapes of the analytes in a single-beam spectrum were gradually canceled (i.e., “titrated”) by dividing an aliquot of a standard transmittance spectrum with a known concentration, and the sum of the squared differential synthetic spectrum was calculated as an indicator for the end point of this titration. The quantity of a standard transmittance spectrum that is needed to reach the end point can be used to calculate the concentrations of the analytes. A NIST traceable gas standard containing six known compounds was used to compare the quantitative accuracy of both this titration method and that of a classic least square (CLS) using a closed-cell FTIR spectrum. The continuous FTIR analysis of industrial exhausting stack showed that concentration trends were consistent between the CLS and titration methods. The titration method allowed the quantification to be performed without the need of a clean single-beam background spectrum, which was beneficial for the field measurement of OP-FTIR. Persistent constituents of the atmosphere, such as NH 3 , CH 4 and CO, were successfully quantified using the single-beam titration method with OP-FTIR data that is normally inaccurate when using the CLS method due to the lack of a suitable background spectrum. Also, the synthetic spectrum at the titration end point contained virtually no peaks of analytes, but it did contain the remaining information needed to provide an alternative means of obtaining an ideal single-beam background for OP-FTIR. - Highlights: • Establish single beam titration quantification method for OP-FTIR. • Define the indicator for the end-point of spectrum titration. • An ideal background spectrum can be obtained using single beam titration. • Compare the quantification between titration

  5. Single-cell force spectroscopy as a technique to quantify human red blood cell adhesion to subendothelial laminin.

    Science.gov (United States)

    Maciaszek, Jamie L; Partola, Kostyantyn; Zhang, Jing; Andemariam, Biree; Lykotrafitis, George

    2014-12-18

    Single-cell force spectroscopy (SCFS), an atomic force microscopy (AFM)-based assay, enables quantitative study of cell adhesion while maintaining the native state of surface receptors in physiological conditions. Human healthy and pathological red blood cells (RBCs) express a large number of surface proteins which mediate cell-cell interactions, or cell adhesion to the extracellular matrix. In particular, RBCs adhere with high affinity to subendothelial matrix laminin via the basal cell adhesion molecule and Lutheran protein (BCAM/Lu). Here, we established SCFS as an in vitro technique to study human RBC adhesion at baseline and following biochemical treatment. Using blood obtained from healthy human subjects, we recorded adhesion forces from single RBCs attached to AFM cantilevers as the cell was pulled-off of substrates coated with laminin protein. We found that an increase in the overall cell adhesion measured via SCFS is correlated with an increase in the resultant total force measured on 1 µm(2) areas of the RBC membrane. Further, we showed that SCFS can detect significant changes in the adhesive response of RBCs to modulation of the cyclic adenosine monophosphate (cAMP) and protein kinase A (PKA) pathway. Lastly, we identified variability in the RBC adhesion force to laminin amongst the human subjects, suggesting that RBCs maintain diverse levels of active BCAM/Lu adhesion receptors. By using single-cell measurements, we established a powerful new method for the quantitative measurement of single RBC adhesion with specific receptor-mediated binding. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Polarized and resonant Raman spectroscopy on single InAs nanowires

    Science.gov (United States)

    Möller, M.; de Lima, M. M., Jr.; Cantarero, A.; Dacal, L. C. O.; Madureira, J. R.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.

    2011-08-01

    We report polarized Raman scattering and resonant Raman scattering studies on single InAs nanowires. Polarized Raman experiments show that the highest scattering intensity is obtained when both the incident and analyzed light polarizations are perpendicular to the nanowire axis. InAs wurtzite optical modes are observed. The obtained wurtzite modes are consistent with the selection rules and also with the results of calculations using an extended rigid-ion model. Additional resonant Raman scattering experiments reveal a redshifted E1 transition for InAs nanowires compared to the bulk zinc-blende InAs transition due to the dominance of the wurtzite phase in the nanowires. Ab initio calculations of the electronic band structure for wurtzite and zinc-blende InAs phases corroborate the observed values for the E1 transitions.

  7. Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules

    Institute of Scientific and Technical Information of China (English)

    Zhou Zeng-Hui; Liu Li; Wang Gui-Ying; Xu Zhi-Zhan

    2006-01-01

    Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.

  8. Excited-state spectroscopy of singly, doubly and triply-charmed baryons from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Padmanath, M. [Tata Institute; Edwards, Robert G. [JLAB; Mathur, Nilmani [Tata Institute; Peardon, Michael [Trinity College

    2014-07-01

    We present the ground and excited state spectra of singly, doubly and triply-charmed baryons by using dynamical lattice QCD. A large set of baryonic operators that respect the symmetries of the lattice and are obtained after subduction from their continuum analogues are utilized. These operators transform as irreducible representations of SU(3)F symmetry for flavour, SU(4) symmetry for Dirac spins of quarks and O(3) symmetry for orbital angular momenta. Using novel computational techniques correlation functions of these operators are generated and the variational method is exploited to extract excited states. The lattice spectra that we obtain have baryonic states with well-defined total spins up to 7/2 and the low lying states remarkably resemble the expectations of quantum numbers from SU(6)ⓍO(3) symmetry.

  9. In-SITU Raman Spectroscopy of Single Microparticle Li-Intercalation Electrodes

    Science.gov (United States)

    Dokko, Kaoru; Shi, Qing-Fang; Stefan, Ionel C.; Scherson, Daniel A.

    2003-01-01

    Modifications in the vibrational properties of a single microparticle of LiMn2O4 induced by extraction and subsequent injection of Li(+) into the lattice have been monitored in situ via simultaneous acquisition of Raman scattering spectra and cyclic voltammetry data in 1M LiC1O4 solutions in ethylene carbonate (EC):diethyl carbonate (DEC) mixtures (1:1 by volume). Statistical analyses of the spectra in the range 15 < SOD < 45%, where SOD represents the state of discharge (in percent) of the nominally fully charged material, i.e. lambda-MnO2, were found to be consistent with the coexistence of two distinct phases of lithiated metal oxide in agreement with information derived from in situ X-ray diffraction (XRD) measurements involving more conventional battery-type electrodes.

  10. Voxel inversion of airborne EM data

    DEFF Research Database (Denmark)

    Fiandaca, Gianluca G.; Auken, Esben; Christiansen, Anders Vest C A.V.C.

    2013-01-01

    We present a geophysical inversion algorithm working directly in a voxel grid disconnected from the actual measuring points, which allows for straightforward integration of different data types in joint inversion, for informing geological/hydrogeological models directly and for easier incorporation...... of prior information. Inversion of geophysical data usually refers to a model space being linked to the actual observation points. For airborne surveys the spatial discretization of the model space reflects the flight lines. Often airborne surveys are carried out in areas where other ground......-based geophysical data are available. The model space of geophysical inversions is usually referred to the positions of the measurements, and ground-based model positions do not generally coincide with the airborne model positions. Consequently, a model space based on the measuring points is not well suited...

  11. [Effects of the volume and shape of voxels on the measurement of phantom volume using three-dimensional magnetic resonance imaging].

    Science.gov (United States)

    Mori, Koichi; Hagino, Hirofumi; Saitou, Osamu; Yotsutsuji, Takashi; Tonami, Syuichi; Nakamura, Mamoru; Kuranishi, Makoto

    2002-01-01

    Recently, an increasing number of volumetric studies of the human brain have been reported, using three-dimensional magnetic resonance imaging (3D-MRI). To our knowledge, however, there are few investigations on the relation of the volume and shape of voxels which constitute an MR image to the accuracy in volume measurement of an imaged object. The purpose of this study was to evaluate the effect of a different shape of voxel, that is, isotropic or anisotropic, as well as the volume of a voxel on the volume measurement based on the original image data and multiplanar reconstruction (MPR) data, respectively. In the experiment, we repeatedly acquired contiguous sagittal images of a single globe phantom with a known volume under the condition in which the volume and shape of voxels varied, on a 1.5T MR scanner. We used a gradient echo sequence (3D FLASH). The volume of the globe phantom from both original images and MPR ones was measured on workstations employing a semi-automated local thresholding technique. As a result, the smaller volume of voxels tended to give us the more correct measurement, and an isotropic voxel reduced measurement errors as compared to an anisotropic one. Therefore, it is concluded that the setting of voxel with both an isotropic shape and small volume, e.g., a voxel of 1 mm x 1 mm x 1 mm at present, is recommended in order to get a precise volume measurement using 3D-MRI.

  12. Effects of the volume and shape of voxels on the measurement of phantom volume using three-dimensional magnetic resonance imaging

    International Nuclear Information System (INIS)

    Mori, Koichi; Tonami, Syuichi; Nakamura, Mamoru; Kuranishi, Makoto; Hagino, Hirofumi; Saitou, Osamu; Yotsutsuji, Takashi

    2002-01-01

    Recently, an increasing number of volumetric studies of the human brain have been reported, using three-dimensional magnetic resonance imaging (3D-MRI). To our knowledge, however, there are few investigations on the relation of the volume and shape of voxels which constitute and MR image to the accuracy in volume measurement of an imaged object. The purpose of this study was to evaluate the effect of a different shape of voxel, that is, isotropic or anisotropic, as well as the volume of a voxel on the volume measurement based on the original image data and multiplanar reconstruction (MPR) data, respectively. In the experiment, we repeatedly acquired contiguous sagittal images of a single globe phantom with a known volume under the condition in which the volume and shape of voxels varied, on a 1.5 T MR scanner. We used a gradient echo sequence (3D FLASH). The volume of the globe phantom from both original images and MPR ones was measured on workstations employing a semi-automated local thresholding technique. As a result, the smaller volume of voxels tended to give us the more correct measurement, and an isotropic voxel reduced measurement errors as compared to an anisotropic one. Therefore, it is concluded that the setting of voxel with both an isotropic shape and small volume, e.g., a voxel of 1 mm x 1 mm x 1 mm at present, is recommended in order to get a precise volume measurement using 3D-MRI. (author)

  13. Automated voxel-based analysis of brain perfusion SPECT for vasospasm after subarachnoid haemorrhage

    International Nuclear Information System (INIS)

    Iwabuchi, S.; Yokouchi, T.; Hayashi, M.; Kimura, H.; Tomiyama, A.; Hirata, Y.; Saito, N.; Harashina, J.; Nakayama, H.; Sato, K.; Aoki, K.; Samejima, H.; Ueda, M.; Terada, H.; Hamazaki, K.

    2008-01-01

    We evaluated regional cerebral blood flow (rCBF) during vasospasm after subarachnoid haemorrhage ISAH) using automated voxel-based analysis of brain perfusion single-photon emission computed tomography (SPELT). Brain perfusion SPECT was performed 7 to 10 days after onset of SAH. Automated voxel-based analysis of SPECT used a Z-score map that was calculated by comparing the patients data with a control database. In cases where computed tomography (CT) scans detected an ischemic region due to vasospasm, automated voxel-based analysis of brain perfusion SPECT revealed dramatically reduced rCBF (Z-score ≤ -4). No patients with mildly or moderately diminished rCBF (Z-score > -3) progressed to cerebral infarction. Some patients with a Z-score < -4 did not progress to cerebral infarction after active treatment with a angioplasty. Three-dimensional images provided detailed anatomical information and helped us to distinguish surgical sequelae from vasospasm. In conclusion, automated voxel-based analysis of brain perfusion SPECT using a Z-score map is helpful in evaluating decreased rCBF due to vasospasm. (author)

  14. MCD spectroscopy of hexanuclear Mn(III) salicylaldoxime single-molecule magnets.

    Science.gov (United States)

    Bradley, Justin M; Thomson, Andrew J; Inglis, Ross; Milios, Constantinos J; Brechin, Euan K; Piligkos, Stergios

    2010-11-07

    The hexanuclear cages [Mn(6)O(2)(R-sao)(6)L(2)(EtOH)(x)(H(2)O)(y)] "Mn(6)" behave as single-molecule magnets (SMMs) below a characteristic blocking temperature. As with [Mn(12)O(12)(O(2)CR)(16)(H(2)O)(4)] "Mn(12)" the electronic absorption spectra are rather featureless, yielding little information on the electronic structure of the magnetic ions. Low temperature Magnetic Circular Dichroism (MCD) spectra afford greater resolution of the optical transitions and also probe the magnetic properties of the system. Both the ground state spin and blocking temperature of the Mn(6) cages are determined by subtle structural perturbations of a generic Mn(6)O(2) core. Absorbance and MCD spectra are reported for [Mn(6)O(2)(Et-sao)(6){O(2)CPh(Me)(2)}(2)(EtOH)(6)] (1), [Mn(6)O(2)(Et-sao)(6){O(2)CPh}(2)(EtOH)(4)(H(2)O)(2)] (2), [Mn(6)O(2)(sao)(6){O(2)CPh}(2)(EtOH)(4)]·EtOH (3) and the trinuclear precursor [Mn(3)O(Et-sao)(3)(MeOH)(3)](ClO(4)) (4) cast into polymer film. SMM behaviour has previously been observed using magnetic susceptibility measurements on powder and single-crystal samples. The ligand field environment of the magnetic ions is assumed to be similar in (1) and (2) and their different blocking temperatures are attributed to the magnitude of the effective exchange constant. The MCD spectra of (1) and (2), in which the ground state spin S = 12, show that the ligand field environments of the Mn ions are almost identical and that magnetic hysteresis persists for isolated molecules when crystal packing forces are removed. The subtle structural differences between (1) and (2) are manifested in the field dependence of the MCD response at different wavelengths that reflect changes in band polarisation. The MCD spectrum of (3) contains features not apparent in those of (1) and (2). These are attributed to 5-coordinate Mn(iii), which is unique to (3) among the compounds studied. (3) has ground state spin S = 4, a lower blocking temperature and consequently no observable

  15. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Science.gov (United States)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-08-01

    We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  16. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-01-01

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed

  17. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Hiroaki; Sul, Soohwan [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States); Ge, Nien-Hui, E-mail: nhge@uci.edu [Department of Chemistry, University of California at Irvine, Irvine, CA 92697-2025 (United States)

    2013-08-30

    Highlights: ► Vibrational dynamics of conjugated C=O and N=N modes of ethyl diazoacetate was studied. ► Their frequency–frequency correlation functions are different. ► The dual-frequency 2D IR spectrum indicates anticorrelated frequency fluctuations. ► Correlation effects on dual-frequency 2D IR spectra are discussed. ► The existence of cis and trans conformers is revealed in 2D IR spectra. - Abstract: We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester C=O and diazo N=N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency–frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single C=O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  18. The high-pressure behavior of spherocobaltite (CoCO3): a single crystal Raman spectroscopy and XRD study

    Science.gov (United States)

    Chariton, Stella; Cerantola, Valerio; Ismailova, Leyla; Bykova, Elena; Bykov, Maxim; Kupenko, Ilya; McCammon, Catherine; Dubrovinsky, Leonid

    2018-01-01

    Magnesite (MgCO3), calcite (CaCO3), dolomite [(Ca, Mg)CO3], and siderite (FeCO3) are among the best-studied carbonate minerals at high pressures and temperatures. Although they all exhibit the calcite-type structure ({R}\\bar{3}{c}) at ambient conditions, they display very different behavior at mantle pressures. To broaden the knowledge of the high-pressure crystal chemistry of carbonates, we studied spherocobaltite (CoCO3), which contains Co2+ with cation radius in between those of Ca2+ and Mg2+ in calcite and magnesite, respectively. We synthesized single crystals of pure spherocobaltite and studied them using Raman spectroscopy and X-ray diffraction in diamond anvil cells at pressures to over 55 GPa. Based on single crystal diffraction data, we found that the bulk modulus of spherocobaltite is 128 (2) GPa and K' = 4.28 (17). CoCO3 is stable in the calcite-type structure up to at least 56 GPa and 1200 K. At 57 GPa and after laser heating above 2000 K, CoCO3 partially decomposes and forms CoO. In comparison to previously studied carbonates, our results suggest that at lower mantle conditions carbonates can be stable in the calcite-type structure if the radius of the incorporated cation(s) is equal or smaller than that of Co2+ (i.e., 0.745 Å).

  19. A microfluidic device integrating plasmonic nanodevices for Raman spectroscopy analysis on trapped single living cells

    KAUST Repository

    Perozziello, Gerardo

    2013-11-01

    In this work we developed a microfluidic device integrating nanoplasmonic devices combined with fluidic trapping regions. The microfuidic traps allow to capture single cells in areas where plasmonic sensors are placed. In this way it is possible to perform Enhanced Raman analysis on the cell membranes. Moreover, by changing direction of the flux it is possible to change the orientation of the cell in the trap, so that it is possible to analyze different points of the membrane of the same cell. We shows an innovative procedure to fabricate and assembly the microfluidic device which combine photolithography, focused ion beam machining, and hybrid bonding between a polymer substrate and lid of Calcium fluoride. This procedure is compatible with the fabrication of the plasmonic sensors in close proximity of the microfluidic traps. Moreover, the use of Calcium fluoride as lid allows full compatibility with Raman measurements producing negligible Raman background signal and avoids Raman artifacts. Finally, we performed Raman analysis on cells to monitor their oxidative stress under particular non physiological conditions. © 2013 Elsevier B.V. All rights reserved.

  20. A microfluidic device integrating plasmonic nanodevices for Raman spectroscopy analysis on trapped single living cells

    KAUST Repository

    Perozziello, Gerardo; Catalano, Rossella; Francardi, Marco; Rondanina, Eliana; Pardeo, Francesca; De Angelis, Francesco De; Malara, Natalia Maria; Candeloro, Patrizio; Morrone, Giovanni; Di Fabrizio, Enzo M.

    2013-01-01

    In this work we developed a microfluidic device integrating nanoplasmonic devices combined with fluidic trapping regions. The microfuidic traps allow to capture single cells in areas where plasmonic sensors are placed. In this way it is possible to perform Enhanced Raman analysis on the cell membranes. Moreover, by changing direction of the flux it is possible to change the orientation of the cell in the trap, so that it is possible to analyze different points of the membrane of the same cell. We shows an innovative procedure to fabricate and assembly the microfluidic device which combine photolithography, focused ion beam machining, and hybrid bonding between a polymer substrate and lid of Calcium fluoride. This procedure is compatible with the fabrication of the plasmonic sensors in close proximity of the microfluidic traps. Moreover, the use of Calcium fluoride as lid allows full compatibility with Raman measurements producing negligible Raman background signal and avoids Raman artifacts. Finally, we performed Raman analysis on cells to monitor their oxidative stress under particular non physiological conditions. © 2013 Elsevier B.V. All rights reserved.

  1. Nonlinear spectroscopy of the bound exciton states in CdSe single crystals

    International Nuclear Information System (INIS)

    Lisitsa, M.P.; Onishchenko, N.A.; Stolyarenko, A.V.; Ananchenko, V.V.; Polishchuk, S.V.

    1989-01-01

    The study is devoted to the pulsed laser radiation effect on the time-resolved variations of free and bound exciton bands region at the helium temperature. A gradual disappearance of the bound I 2 exciton state is observed with increase of the excitation intensity I in CdSe transmission spectra. This phenomenon is explained by the fact that despite of the shorter life of I 2 excitons as compared to the free ones, the concentration of the centres on which they localize is rather low (≤10 16 cm -3 ) while the evolution of the light-generated electron-hole pairs is such as the most probable recombination through the bound excitons. The transmission spectrum kinetics is studied. The intensity limitation of the laser pulse transmitted through the crystal in the region of the exciton ground state region is shown to be related with two-photon absorption (TPA) in which the exciton state is an intermediate level. The calculation results are in good agreement with the experiment. The estimations show the giant TPA coefficient of ∼10 3 cm/MW. The evolution of photoexcited nonequilibrium electron-hole pairs is studied. The possibility of using CdSe single crystals as spectrum-selective limiters of the laser pulses is shown. (author)

  2. Sizing of single evaporating droplet with Near-Forward Elastic Scattering Spectroscopy

    Science.gov (United States)

    Woźniak, M.; Jakubczyk, D.; Derkachov, G.; Archer, J.

    2017-11-01

    We have developed an optical setup and related numerical models to study evolution of single evaporating micro-droplets by analysis of their spectral properties. Our approach combines the advantages of the electrodynamic trapping with the broadband spectral analysis with the supercontinuum laser illumination. The elastically scattered light within the spectral range of 500-900 nm is observed by a spectrometer placed at the near-forward scattering angles between 4.3 ° and 16.2 ° and compared with the numerically generated lookup table of the broadband Mie scattering. Our solution has been successfully applied to infer the size evolution of the evaporating droplets of pure liquids (diethylene and ethylene glycol) and suspensions of nanoparticles (silica and gold nanoparticles in diethylene glycol), with maximal accuracy of ± 25 nm. The obtained results have been compared with the previously developed sizing techniques: (i) based on the analysis of the Mie scattering images - the Mie Scattering Lookup Table Method and (ii) the droplet weighting. Our approach provides possibility to handle levitating objects with much larger size range (radius from 0.5 μm to 30 μm) than with the use of optical tweezers (typically radius below 8 μm) and analyse them with much wider spectral range than with commonly used LED sources.

  3. Multi Voxel Descriptor for 3D Texture Retrieval

    Directory of Open Access Journals (Sweden)

    Hero Yudo Martono

    2016-08-01

    Full Text Available In this paper, we present a new feature descriptors  which exploit voxels for 3D textured retrieval system when models vary either by geometric shape or texture or both. First, we perform pose normalisation to modify arbitrary 3D models  in order to have same orientation. We then map the structure of 3D models into voxels. This purposes to make all the 3D models have the same dimensions. Through this voxels, we can capture information from a number of ways.  First, we build biner voxel histogram and color voxel histogram.  Second, we compute distance from centre voxel into other voxels and generate histogram. Then we also compute fourier transform in spectral space.  For capturing texture feature, we apply voxel tetra pattern. Finally, we merge all features by linear combination. For experiment, we use standard evaluation measures such as Nearest Neighbor (NN, First Tier (FT, Second Tier (ST, Average Dynamic Recall (ADR. Dataset in SHREC 2014  and its evaluation program is used to verify the proposed method. Experiment result show that the proposed method  is more accurate when compared with some methods of state-of-the-art.

  4. Monitoring the functionalization of single-walled carbon nanotubes with chitosan and folic acid by two-dimensional diffusion-ordered nmr spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Torres, Mary H.; Molina, Daniel R.

    2012-01-01

    A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate that was......A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate...... that was generated by the linkage between the carboxyl moiety of the folic acid and the amino group of the chitosan, which in turn was non-covalently bound to the single-walled carbon nanotubes. The obtained diffusion coefficient values demonstrated that free folic acid diffused more rapidly than the folic acid...... conjugated to single-walled carbon nanotubes-chitosan. The values of the proton signal of hydrogen-1 nuclear magnetic resonance spectroscopy and two-dimensional hydrogen-1 nuclear magnetic resonance spectroscopy further confirmed that the folic acid was conjugated to the chitosan, wrapping the single...

  5. A luminescence-optical spectroscopy study of Rb2KTiOF5 single crystals

    Science.gov (United States)

    Pustovarov, V. A.; Ogorodnikov, I. N.; Kozlov, A. V.; Isaenko, L. I.

    2018-06-01

    Large single crystals of Rb2KTiOF5 (RKTF), grown by slow solidification method, were studied (7-400 K) for various types of optical and radiation effects. The optical absorption spectra, the parameters of the Urbach rule at 293 K (σ = 0.24 and EU = 105 meV), the low-temperature reflection spectra (T = 7 K, E = 3.7-22 eV) were determined. The luminescence spectra (1.2-6.2 eV) and luminescence decay kinetics are studied upon excitation by a nanosecond electron beam (PCL), ultraviolet and vacuum ultraviolet light (PL), or X-rays radiation (XRL). PL excitation spectra under selective photoexcitation by synchrotron radiation (E = 3.7-22 eV, T = 7 K), temperature dependences of the intensity of steady-state XRL in different emission bands, as well as thermoluminescence (7-400 K) are studied. In the visible spectral region, we detected three luminescence bands that were attributed to radiative annihilation of intrinsic excitons (2.25 eV), recombination-type luminescence (2.1 eV) and luminescence of higher TiOF5 complexes (1.9 eV). The exponential component with lifetime of about 19 μs was revealed in the PCL decay kinetics at 2.25 eV. The low-energy onset of the intrinsic host absorption Ec = 3.55 eV was determined on the basis of the experimental data obtained. Spectra of optical constants were calculated by the Kramers-Krönig method, the energy of the onset of the interband transitions Eg = 4.2 eV was determined, and the main peaks of the optical spectra were identified.

  6. Identifying States along the Hematopoietic Stem Cell Differentiation Hierarchy with Single Cell Specificity via Raman Spectroscopy.

    Science.gov (United States)

    Ilin, Yelena; Choi, Ji Sun; Harley, Brendan A C; Kraft, Mary L

    2015-11-17

    A major challenge for expanding specific types of hematopoietic cells ex vivo for the treatment of blood cell pathologies is identifying the combinations of cellular and matrix cues that direct hematopoietic stem cells (HSC) to self-renew or differentiate into cell populations ex vivo. Microscale screening platforms enable minimizing the number of rare HSCs required to screen the effects of numerous cues on HSC fate decisions. These platforms create a strong demand for label-free methods that accurately identify the fate decisions of individual hematopoietic cells at specific locations on the platform. We demonstrate the capacity to identify discrete cells along the HSC differentiation hierarchy via multivariate analysis of Raman spectra. Notably, cell state identification is accurate for individual cells and independent of the biophysical properties of the functionalized polyacrylamide gels upon which these cells are cultured. We report partial least-squares discriminant analysis (PLS-DA) models of single cell Raman spectra enable identifying four dissimilar hematopoietic cell populations across the HSC lineage specification. Successful discrimination was obtained for a population enriched for long-term repopulating HSCs (LT-HSCs) versus their more differentiated progeny, including closely related short-term repopulating HSCs (ST-HSCs) and fully differentiated lymphoid (B cells) and myeloid (granulocytes) cells. The lineage-specific differentiation states of cells from these four subpopulations were accurately identified independent of the stiffness of the underlying biomaterial substrate, indicating subtle spectral variations that discriminated these populations were not masked by features from the culture substrate. This approach enables identifying the lineage-specific differentiation stages of hematopoietic cells on biomaterial substrates of differing composition and may facilitate correlating hematopoietic cell fate decisions with the extrinsic cues that

  7. New Measurement of Singly Ionized Selenium Spectra by High Resolution Fourier Transform and Grating Spectroscopy

    Science.gov (United States)

    Hala, Noman; Nave, G.; Kramida, A.; Ahmad, T.; Nahar, S.; Pradhan, A.

    2015-05-01

    We report new measurements of singly ionised selenium, an element of the iron group detected in nearly twice as many planetary nebulae as any other trans-iron element. We use the NIST 2 m UV/Vis/IR and FT700 UV/Vis Fourier transform spectrometers over the wavelength range of 2000 Å-2.5 μm, supplemented in the lower wavelength region 300-2400 Å with grating spectra taken on a 3-m normal incidence vacuum spectrograph. The analysis of Se II is being extended, covering the wide spectral region from UV to IR. From our investigation, we found serious inconsistency and incompleteness in the previously published results, where several levels were reported without any designation. The analysis is being revised and extended with the help of semiempirical quasi-relativistic Hartree-Fock calculations, starting with the 4s24p3- [4s24p2(4d +5d +5s +6s) +4s4p4] transition array. Out of fifty-two previously reported levels, we rejected thirteen and found several new level values. With the new measurements, we expect to observe transitions between 4s24p2(4d +5s) and 4s24p2(5p +4f), lying in the visible and IR region. A complete interpretation of the level system of both parities will be assisted by least squares fitted parametric calculations. In all, we have already classified about 450 observed lines involving 89 energy levels.

  8. Vessel-guided airway segmentation based on voxel classification

    DEFF Research Database (Denmark)

    Lo, Pechin Chien Pau; Sporring, Jon; Ashraf, Haseem

    2008-01-01

    This paper presents a method for improving airway tree segmentation using vessel orientation information. We use the fact that an airway branch is always accompanied by an artery, with both structures having similar orientations. This work is based on a  voxel classification airway segmentation...... method proposed previously. The probability of a voxel belonging to the airway, from the voxel classification method, is augmented with an orientation similarity measure as a criterion for region growing. The orientation similarity measure of a voxel indicates how similar is the orientation...... of the surroundings of a voxel, estimated based on a tube model, is to that of a neighboring vessel. The proposed method is tested on 20 CT images from different subjects selected randomly from a lung cancer screening study. Length of the airway branches from the results of the proposed method are significantly...

  9. Characterizing physical properties and heterogeneous chemistry of single particles in air using optical trapping-Raman spectroscopy

    Science.gov (United States)

    Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

    2017-12-01

    Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from

  10. Proton magnetic resonance spectroscopy and perfusion magnetic resonance imaging in the evaluation of musculoskeletal tumors

    International Nuclear Information System (INIS)

    Costa, Flavia Martins; Setti, Marcela; Vianna, Evandro Miguelote; Domingues, Romulo Cortes; Meohas, Walter; Rezende, Jose Francisco; Gasparetto, Emerson Leandro

    2009-01-01

    Objective: To assess the role of proton magnetic resonance spectroscopy and dynamic contrast-enhanced magnetic resonance imaging in the differentiation between malignant and benign musculoskeletal tumors. Materials And Methods: Fifty-five patients with musculoskeletal tumors (27 malignant and 28 benign) were studied. The examinations were performed in a 1.5 T magnetic resonance scanner with standard protocol, and single voxel proton magnetic resonance spectroscopy with 135 msec echo time. The dynamic contrast study was performed using T1-weighted gradient-echo sequence after intravenous gadolinium injection. Time signal intensity curves and slope values were calculated. The statistical analysis was performed with the Levene's test, followed by a Student's t-test, besides the Pearson's chi-squared and Fischer's exact tests. Results: Proton magnetic resonance spectroscopy sensitivity, specificity and accuracy were, respectively, 87.5%, 92.3% and 90.9% (p < 0.0001). Statistically significant difference was observed in the slope (%/min) between benign (mean, 27.5%/min) and malignant (mean, 110.9%/min) lesions (p < 0.0001). Conclusion: The time-intensity curve and slope values using dynamic-enhanced perfusion magnetic resonance imaging in association with the presence of choline peak demonstrated by single voxel magnetic resonance spectroscopy study are useful in the differentiation between malignant and benign musculoskeletal tumors. (author)

  11. Temperature dependent admittance spectroscopy of GaAs/AlGaAs single-quantum-well laser diodes (SQWLDs)

    International Nuclear Information System (INIS)

    Bengi, A.; Uslu, H.; Asar, T.; Altindal, S.; Cetin, S.S.; Mammadov, T.S.; Ozcelik, S.

    2011-01-01

    Research highlights: → It is well known the quantum-well (QW) lasers are the most important optoelectronic devices in many application fields. The temperature dependent I-V and C-V measurements allow us to understand the different aspects of conduction mechanisms of these devices. The C-V and G/ω-V measurements should be done over a wide range of temperature in order to have a better understanding of the nature of barrier height and conduction mechanisms. Therefore, in this study, the main electrical parameters of GaAs/Al x Ga 1-x As single quantum well (SQW) laser diodes were determined from the admittance spectroscopy C-V and G/ω-V method in the temperature range of 80-360 K. In addition, the capacitance and conductance values measured under both reverse and forward bias were corrected in order to eliminate the effect of R s to obtain the real diode capacitance. - Abstract: In this study, the main electrical parameters, such as doping concentration (N D ), barrier height (Φ CV ), depletion layer width (W D ), series resistance (R s ) and Fermi energy level (E F ), of GaAs/Al x Ga 1-x As single quantum well (SQW) laser diodes were investigated using the admittance spectroscopy (C-V and G/ω-V) method in the temperature range of 80-360 K. The reverse bias C -2 vs. V plots gives a straight line in a wide voltage region, especially in weak inversion region. The values of Φ CV at the absolute temperature (T = 0 K) and the temperature coefficient (α) of barrier height were found as 1.22 eV and -8.65 x 10 -4 eV/K, respectively. This value of α is in a close agreement with α of GaAs band gap (-5.45 x 10 -4 eV/K). Experimental results show that the capacitance-voltage (C-V) and conductance-voltage (G/ω-V) characteristics of the diode are affected by not only temperature but also R s . The capacitance-voltage-temperature (C-V-T) and conductance-voltage-temperature (G/ω-V-T) characteristics confirmed that temperature and R s of the diode have effects on the

  12. NEUROFEEDBACK USING FUNCTIONAL SPECTROSCOPY

    OpenAIRE

    Hinds, Oliver; Wighton, Paul; Tisdall, M. Dylan; Hess, Aaron; Breiter, Hans; van der Kouwe, André

    2014-01-01

    Neurofeedback based on real-time measurement of the blood oxygenation level-dependent (BOLD) signal has potential for treatment of neurological disorders and behavioral enhancement. Commonly employed methods are based on functional magnetic resonance imaging (fMRI) sequences that sacrifice speed and accuracy for whole-brain coverage, which is unnecessary in most applications. We present multi-voxel functional spectroscopy (MVFS): a system for computing the BOLD signal from multiple volumes of...

  13. Dynamic fluorescence spectroscopy on single tryptophan mutants of EIImtl in detergent micelles : Effects of substrate binding and phosphorylation on the fluorescence and anisotropy decay

    NARCIS (Netherlands)

    Swaving Dijkstra, Dolf; Broos, J.; Visser, Antonie J.W.G.; van Hoek, A.; Robillard, George

    1997-01-01

    The effects of substrate and substrate analogue binding and phosphorylation on the conformational dynamics of the mannitol permease of Escherichia coli were investigated, using time-resolved fluorescence spectroscopy on mutants containing five single tryptophans situated in the membrane-embedded C

  14. Thin-film morphology of inkjet-printed single-droplet organic transistors using polarized Raman spectroscopy: effect of blending TIPS-pentacene with insulating polymer

    NARCIS (Netherlands)

    James, D.T.; Kjellander, B.K.C.; Smaal, W.T.T.; Gelinck, G.H.; Combe, C.; McCulloch, I.; Wilson, R.; Burroughes, J.H.; Bradley, D.D.C.; Kim, J.S.

    2011-01-01

    We report thin-film morphology studies of inkjet-printed single-droplet organic thin-film transistors (OTFTs) using angle-dependent polarized Raman spectroscopy. We show this to be an effective technique to determine the degree of molecular order as well as to spatially resolve the orientation of

  15. Analysis of the substrate recognition state of TDP-43 to single-stranded DNA using fluorescence correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    Akira Kitamura

    2018-07-01

    Full Text Available Normal function and abnormal aggregation of transactivation response (TAR DNA/RNA-binding protein 43 kDa (TDP-43 are directly associated with the lethal genetic diseases: cystic fibrosis, amyotrophic lateral sclerosis (ALS, and frontotemporal lobar degeneration (FTLD. The binding of TDP-43 to single-stranded DNA (ssDNA or RNA is involved in transcriptional repression, regulation of RNA splicing, and RNA stabilization. Equilibrium dissociation constants (Kd of TDP-43 and ssDNA or RNA have been determined using various methods; however, methods that can measure Kd with high sensitivity in a short time using a small amount of TDP-43 in solution would be advantageous. Here, in order to determine the Kd of TDP-43 and fluorescence-labeled ssDNA as well as the binding stoichiometry, we use fluorescence correlation spectroscopy (FCS, which detects the slowed diffusion of molecular interactions in solution with single-molecule sensitivity, in addition to electrophoretic mobility shift assay (EMSA. Using tandem affinity chromatography of TDP-43 dually tagged with glutathione-S-transferase and poly-histidine tags, highly purified protein was obtained. FCS successfully detected specific interaction between purified TDP-43 and TG ssDNA repeats, with a Kd in the nanomolar range. The Kd of the TDP-43 mutant was not different from the wild type, although mutant oligomers, which did not bind ssDNA, were observed. Analysis of the fluorescence brightness per dimerized TDP-43/ssDNA complex was used to evaluate their binding stoichiometry. The results suggest that an assay combining FCS and EMSA can precisely analyze ssDNA recognition mechanisms, and that FCS may be applied for the rapid and quantitative determination of the interaction strength between TDP-43 and ssDNA or RNA. These methods will aid in the elucidation of the substrate recognition mechanism of ALS- and FTLD-associated variants of TDP-43.

  16. Construction tool and suitability of voxel phantom for skin dosimetry

    International Nuclear Information System (INIS)

    Antunes, Paula C.G.; Siqueira, Paulo T.D.; Fonseca, Gabriel P.; Yoriyaz, Helio

    2011-01-01

    This paper describes a new software tool called 'SkinVop' which was developed to enable accurate voxel phantom skin dosimetry. A voxel phantom is a model used to describe human anatomy in a realistic way in radiation transport codes. This model is a three-dimensional representation of the human body in the form of an array of identification numbers that are arranged in a 3D matrix. Each entry in this array represents a voxel (volume element) directly associated to the units of picture resolution (pixel) of medical images. Currently, these voxel phantoms, in association with the transport code MCNP (Monte Carlo N-Particle), have provided subsidies to the planning systems used on the hospital routine, once they afford accurate and personalized estimative of dose distribution. However, these assessments are limited to geometric representations of organs and tissues in the voxel phantom, which do not discriminates some thin body structure, such as the skin. In this context, to enable accurate dosimetric skin dose assessment by the MCNP code, it was developed this new software tool that discriminates this region with thickness and localization in the voxel phantoms similar to the real. This methodology consists in manipulating the skin volume elements by segmenting and subdividing them in different thicknesses. A graphical user interface was designed to fulfill display the modified voxel model. This methodology is extremely useful once the skin dose is inaccurately assessed of current hospital system planning, justified justly by its small thickness. (author)

  17. Construction tool and suitability of voxel phantom for skin dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Antunes, Paula C.G.; Siqueira, Paulo T.D.; Fonseca, Gabriel P.; Yoriyaz, Helio, E-mail: ptsiquei@ipen.b, E-mail: hyoriyaz@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    This paper describes a new software tool called 'SkinVop' which was developed to enable accurate voxel phantom skin dosimetry. A voxel phantom is a model used to describe human anatomy in a realistic way in radiation transport codes. This model is a three-dimensional representation of the human body in the form of an array of identification numbers that are arranged in a 3D matrix. Each entry in this array represents a voxel (volume element) directly associated to the units of picture resolution (pixel) of medical images. Currently, these voxel phantoms, in association with the transport code MCNP (Monte Carlo N-Particle), have provided subsidies to the planning systems used on the hospital routine, once they afford accurate and personalized estimative of dose distribution. However, these assessments are limited to geometric representations of organs and tissues in the voxel phantom, which do not discriminates some thin body structure, such as the skin. In this context, to enable accurate dosimetric skin dose assessment by the MCNP code, it was developed this new software tool that discriminates this region with thickness and localization in the voxel phantoms similar to the real. This methodology consists in manipulating the skin volume elements by segmenting and subdividing them in different thicknesses. A graphical user interface was designed to fulfill display the modified voxel model. This methodology is extremely useful once the skin dose is inaccurately assessed of current hospital system planning, justified justly by its small thickness. (author)

  18. Observation of localized strains on vertically grown single-walled carbon nanotube forests via polarized Raman spectroscopy

    International Nuclear Information System (INIS)

    Park, June; Seong, Maeng-Je; Heo, Kwang; Hong, Seunghun; Min, Yo-Sep

    2014-01-01

    Vertically grown single-walled carbon nanotube (V-SWCNT) forests, synthesized by water-assisted plasma-enhanced chemical vapor deposition, were studied using polarized micro-Raman spectroscopy. Among three different sections (root, center and end) along the vertical growth direction, the degree of V-SWCNT alignment was highest in the center section. Raman frequency red-shifts up to 7 and 13 cm −1 , for RBM and G-band, respectively, were observed in the center section, with respect to the Raman frequencies measured in the root and the end sections. Raman frequency downshift and concurrent linewidth broadening of the G-band, revealing a localized strain, were also observed in the center section. The existence of a localized strain in the center section of the V-SWCNT was further confirmed by observing a strong polarization anisotropy of up to 8 cm −1 in the G-band Raman frequency for different polarized Raman scattering configurations at the same probed spot. (paper)

  19. An electrochemical impedance spectroscopy study of polymer electrolyte membrane fuel cells electrocatalyst single wall carbon nanohorns-supported.

    Science.gov (United States)

    Brandão, Lúcia; Boaventura, Marta; Passeira, Carolina; Gattia, Daniele Mirabile; Marazzi, Renzo; Antisari, Marco Vittori; Mendes, Adélio

    2011-10-01

    Electrochemical impedance spectroscopy (EIS) was used to study the polymer electrolyte membrane fuel cells (PEMFC) performance when using single wall carbon nanohorns (SWNH) to support Pt nanoparticles. Additionally, as-prepared and oxidized SWNH Pt-supports were compared with conventional carbon black. Two different oxidizing treatments were considered: oxygen flow at 500 degrees C and reflux in an acid solution at 85 degrees C. Both oxidizing treatments increased SWNH surface area; oxygen treatment increased surface area 4 times while acid treatment increased 2.6 times. The increase in surface area should be related to the opening access to the inner tube of SWNH. Acid treatment of SWNH increased chemical fragility and decreased electrocatalyst load in comparison with as-prepared SWNH. On the other hand, the oxygen treated SWNH sample allowed to obtain the highest electrocatalyst load. The use of as-prepared and oxygen treated SWNH showed in both cases catalytic activities 60% higher than using conventional carbon black as electrocatalyst support in PEMFC. Moreover, EIS analysis indicated that the major improvement in performance is related to the cathode kinetics in the as-prepared SWNH sample, while concerning the oxidized SWNH sample, the improvements are related to the electrokinetics in both anode and cathode electrodes. These improvements should be related with differences in the hydrophobic character between SWNH and carbon black.

  20. Single-molecule spectroscopy of LHCSR1 protein dynamics identifies two distinct states responsible for multi-timescale photosynthetic photoprotection

    Science.gov (United States)

    Kondo, Toru; Pinnola, Alberta; Chen, Wei Jia; Dall'Osto, Luca; Bassi, Roberto; Schlau-Cohen, Gabriela S.

    2017-08-01

    In oxygenic photosynthesis, light harvesting is regulated to safely dissipate excess energy and prevent the formation of harmful photoproducts. Regulation is known to be necessary for fitness, but the molecular mechanisms are not understood. One challenge has been that ensemble experiments average over active and dissipative behaviours, preventing identification of distinct states. Here, we use single-molecule spectroscopy to uncover the photoprotective states and dynamics of the light-harvesting complex stress-related 1 (LHCSR1) protein, which is responsible for dissipation in green algae and moss. We discover the existence of two dissipative states. We find that one of these states is activated by pH and the other by carotenoid composition, and that distinct protein dynamics regulate these states. Together, these two states enable the organism to respond to two types of intermittency in solar intensity—step changes (clouds and shadows) and ramp changes (sunrise), respectively. Our findings reveal key control mechanisms underlying photoprotective dissipation, with implications for increasing biomass yields and developing robust solar energy devices.

  1. Single photon infrared emission spectroscopy: a study of IR emission from UV laser excited PAHs between 3 and 15 micrometers

    Science.gov (United States)

    Cook, D. J.; Schlemmer, S.; Balucani, N.; Wagner, D. R.; Harrison, J. A.; Steiner, B.; Saykally, R. J.

    1998-01-01

    Single-photon infrared emission spectroscopy (SPIRES) has been used to measure emission spectra from polycyclic aromatic hydrocarbons (PAHs). A supersonic free-jet expansion has been used to provide emission spectra of rotationally cold and vibrationally excited naphthalene and benzene. Under these conditions, the observed width of the 3.3-micrometers (C-H stretch) band resembles the bandwidths observed in experiments in which emission is observed from naphthalene with higher rotational energy. To obtain complete coverage of IR wavelengths relevant to the unidentified infrared bands (UIRs), UV laser-induced desorption was used to generate gas-phase highly excited PAHs. Lorentzian band shapes were convoluted with the monochromator-slit function in order to determine the widths of PAH emission bands under astrophysically relevant conditions. Bandwidths were also extracted from bands consisting of multiple normal modes blended together. These parameters are grouped according to the functional groups mostly involved in the vibration, and mean bandwidths are obtained. These bandwidths are larger than the widths of the corresponding UIR bands. However, when the comparison is limited to the largest PAHs studied, the bandwidths are slightly smaller than the corresponding UIR bands. These parameters can be used to model emission spectra from PAH cations and cations of larger PAHs, which are better candidate carriers of the UIRs.

  2. Optimizing 1-μs-Resolution Single-Molecule Force Spectroscopy on a Commercial Atomic Force Microscope.

    Science.gov (United States)

    Edwards, Devin T; Faulk, Jaevyn K; Sanders, Aric W; Bull, Matthew S; Walder, Robert; LeBlanc, Marc-Andre; Sousa, Marcelo C; Perkins, Thomas T

    2015-10-14

    Atomic force microscopy (AFM)-based single-molecule force spectroscopy (SMFS) is widely used to mechanically measure the folding and unfolding of proteins. However, the temporal resolution of a standard commercial cantilever is 50-1000 μs, masking rapid transitions and short-lived intermediates. Recently, SMFS with 0.7-μs temporal resolution was achieved using an ultrashort (L = 9 μm) cantilever on a custom-built, high-speed AFM. By micromachining such cantilevers with a focused ion beam, we optimized them for SMFS rather than tapping-mode imaging. To enhance usability and throughput, we detected the modified cantilevers on a commercial AFM retrofitted with a detection laser system featuring a 3-μm circular spot size. Moreover, individual cantilevers were reused over multiple days. The improved capabilities of the modified cantilevers for SMFS were showcased by unfolding a polyprotein, a popular biophysical assay. Specifically, these cantilevers maintained a 1-μs response time while eliminating cantilever ringing (Q ≅ 0.5). We therefore expect such cantilevers, along with the instrumentational improvements to detect them on a commercial AFM, to accelerate high-precision AFM-based SMFS studies.

  3. Atomic force microscopy imaging and single molecule recognition force spectroscopy of coat proteins on the surface of Bacillus subtilis spore.

    Science.gov (United States)

    Tang, Jilin; Krajcikova, Daniela; Zhu, Rong; Ebner, Andreas; Cutting, Simon; Gruber, Hermann J; Barak, Imrich; Hinterdorfer, Peter

    2007-01-01

    Coat assembly in Bacillus subtilis serves as a tractable model for the study of the self-assembly process of biological structures and has a significant potential for use in nano-biotechnological applications. In the present study, the morphology of B. subtilis spores was investigated by magnetically driven dynamic force microscopy (MAC mode atomic force microscopy) under physiological conditions. B. subtilis spores appeared as prolate structures, with a length of 0.6-3 microm and a width of about 0.5-2 microm. The spore surface was mainly covered with bump-like structures with diameters ranging from 8 to 70 nm. Besides topographical explorations, single molecule recognition force spectroscopy (SMRFS) was used to characterize the spore coat protein CotA. This protein was specifically recognized by a polyclonal antibody directed against CotA (anti-CotA), the antibody being covalently tethered to the AFM tip via a polyethylene glycol linker. The unbinding force between CotA and anti-CotA was determined as 55 +/- 2 pN. From the high-binding probability of more than 20% in force-distance cycles it is concluded that CotA locates in the outer surface of B. subtilis spores. Copyright (c) 2007 John Wiley & Sons, Ltd.

  4. Voxel-by-voxel analysis of brain SPECT perfusion in Fibromyalgia

    International Nuclear Information System (INIS)

    Guedj, Eric; Taieb, David; Cammilleri, Serge; Lussato, David; Laforte, Catherine de; Niboyet, Jean; Mundler, Olivier

    2007-01-01

    We evaluated brain perfusion SPECT at rest, without noxious stiumuli, in a homogeneous group of hyperalgesic FM patients. We performed a voxel-based analysis in comparison to a control group, matched for age and gender. Under such conditions, we made the assumption that significant cerebral perfusion abnormalities could be demonstrated, evidencing altered cerebral processing associated with spontaneous pain in FM patients. The secondary objective was to study the reversibility and the prognostic value of such possible perfusion abnormalities under specific treatment. Eighteen hyperalgesic FM women (mean age 48 yr; range 25-63 yr; ACR criteria) and 10 healthy women matched for age were enrolled in the study. A voxel-by-voxel group analysis was performed using SPM2 (p<0.05, corrected for multiple comparisons). All brain SPECT were performed before any change was made in therapy in the pain care unit. A second SPECT was performed a month later after specific treatment by Ketamine. Compared to control subjects, we observed individual brain SPECT abnormalities in FM patients, confirmed by SPM2 analysis with hyperperfusion of the somatosensory cortex and hypoperfusion of the frontal, cingulate, medial temporal and cerebellar cortices. We also found that a medial frontal and anterior cingulate hypoperfusions were highly predictive (PPV=83%; NPV=91%) of non-response on Ketamine, and that only responders showed significant modification of brain perfusion, after treatment. In the present study performed without noxious stimuli in hyperalgesic FM patients, we found significant hyperperfusion in regions of the brain known to be involved in sensory dimension of pain processing and significant hypoperfusion in areas assumed to be associated with the affective dimension. As current pharmacological and non-pharmacological therapies act differently on both components of pain, we hypothesize that SPECT could be a valuable and readily available tool to guide individual therapeutic

  5. Voxel-by-voxel analysis of brain SPECT perfusion in Fibromyalgia

    Energy Technology Data Exchange (ETDEWEB)

    Guedj, Eric [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France)]. E-mail: eric.guedj@ap-hm.fr; Taieb, David [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France); Cammilleri, Serge [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France); Lussato, David [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France); Laforte, Catherine de [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France); Niboyet, Jean [Unite d' Etude et de Traitement de la Douleur, Clinique La Phoceanne, Marseille (France); Mundler, Olivier [Service Central de Biophysique et de Medecine Nucleaire, AP-HM Timone, Marseille (France)

    2007-02-01

    We evaluated brain perfusion SPECT at rest, without noxious stiumuli, in a homogeneous group of hyperalgesic FM patients. We performed a voxel-based analysis in comparison to a control group, matched for age and gender. Under such conditions, we made the assumption that significant cerebral perfusion abnormalities could be demonstrated, evidencing altered cerebral processing associated with spontaneous pain in FM patients. The secondary objective was to study the reversibility and the prognostic value of such possible perfusion abnormalities under specific treatment. Eighteen hyperalgesic FM women (mean age 48 yr; range 25-63 yr; ACR criteria) and 10 healthy women matched for age were enrolled in the study. A voxel-by-voxel group analysis was performed using SPM2 (p<0.05, corrected for multiple comparisons). All brain SPECT were performed before any change was made in therapy in the pain care unit. A second SPECT was performed a month later after specific treatment by Ketamine. Compared to control subjects, we observed individual brain SPECT abnormalities in FM patients, confirmed by SPM2 analysis with hyperperfusion of the somatosensory cortex and hypoperfusion of the frontal, cingulate, medial temporal and cerebellar cortices. We also found that a medial frontal and anterior cingulate hypoperfusions were highly predictive (PPV=83%; NPV=91%) of non-response on Ketamine, and that only responders showed significant modification of brain perfusion, after treatment. In the present study performed without noxious stimuli in hyperalgesic FM patients, we found significant hyperperfusion in regions of the brain known to be involved in sensory dimension of pain processing and significant hypoperfusion in areas assumed to be associated with the affective dimension. As current pharmacological and non-pharmacological therapies act differently on both components of pain, we hypothesize that SPECT could be a valuable and readily available tool to guide individual therapeutic

  6. Prospects of real-time single-particle biological aerosol analysis: A comparison between laser-induced breakdown spectroscopy and aerosol time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    Beddows, D.C.S.; Telle, H.H.

    2005-01-01

    In this paper we discuss the prospects of real-time, in situ laser-induced breakdown spectroscopy applied for the identification and classification of bio-aerosols (including species of potential bio-hazard) within common urban aerosol mixtures. In particular, we address the issues associated with the picking out of bio-aerosols against common background aerosol particles, comparing laser-induced breakdown spectroscopy measurements with data from a mobile single-particle aerosol mass spectrometer (ATOFMS). The data from the latter provide statistical data over an extended period of time, highlighting the variation of the background composition. While single-particle bio-aerosols are detectable in principle, potential problems with small (∼ 1 μm size) bio-aerosols have been identified; constituents of the air mass other than background aerosols, e.g. gaseous CO 2 in conjunction with common background aerosols, may prevent unique recognition of the bio-particles. We discuss whether it is likely that laser-induced breakdown spectroscopy on its own can provide reliable, real-time identification of bio-aerosol in an urban environment, and it is suggested that more than one technique should be or would have to be used. A case for using a combination of laser-induced breakdown spectroscopy and Raman (and/or) laser-induced fluorescence spectroscopy is made

  7. Voxel-based morphometry and voxel-based diffusion tensor analysis in amyotrophic lateral sclerosis

    International Nuclear Information System (INIS)

    Chen Zhiye; Ma Lin; Lou Xin; Wang Yan

    2010-01-01

    Objective: To evaluate gray matter volume, white matter volume and FA value changes in amyatrophic lateral sclerosis (ALS) patients by voxel-based morphometry (VBM) and voxel-based diffusion tensor analysis (VBDTA). Methods: Thirty-nine definite or probable ALS patients diagnosed by El Escorial standard and 39 healthy controls were recruited and underwent conventional MR scans and the neuropsychological evaluation. The 3D FSPGR T 1 WI and DTI data were collected on GE Medical 3.0 T MRI system. The 3DT 1 structural images were normalized, segmented and smoothed, and then VBM analysis was performed. DTI data were acquired from 76 healthy controls, and FA map template was made. FA maps generated from the DTI data of ALS patients and healthy controls were normalized to the FA map template for voxel-based analysis. ANCOVA was applied, controlling with age and total intracranial volume for VBM and age for VBDDTA. A statistical threshold of P<0.01 (uncorrected) and cluster level of more than continuous 20 voxels determined significance. Results: Statistical results showed no significant difference in the global volumes of gray matter and white matter, total intracranial volumes and gray matter fraction between ALS patients and healthy controls, but the white matter fraction of ALS patients (0.29 ± 0.02) was significantly less than that of healthy controls (0.30 ± 0.02) statistically (P=0.003). There was significant reduction of gray matter volumes in bilateral superior frontal gyri and precentral gyri, right middle frontal gyrus, right middle and inferior temporal gyrus, left superior occipital gyrus and cuneus and left insula in ALS patients when compared with healthy controls; and the regional reduction of white matter volumes in ALS patients mainly located in genu of corpus callosum, bilateral medial frontal gyri, paracentral lobule and insula, right superior and middle frontal gyrus and left postcentral gyrus. VBDTA showed decrease in FA values in bilateral

  8. Proton MR spectroscopy in idiopathic spasmodic torticollis

    Energy Technology Data Exchange (ETDEWEB)

    Federico, F.; Lucivero, V.; Simone, I.L.; Defazio, G.; De Salvia, R.; Mezzapesa, D.M.; Petruzzellis, M.; Tortorella, C.; Livrea, P. [Dept. of Neurology and Psychiatry, Bari (Italy)

    2001-07-01

    Single-voxel proton magnetic resonance spectroscopy ({sup 1}H-MRS), localised to the basal ganglia, was used to determine changes in metabolite levels in idiopathic spasmodic torticollis (IST). We examined nine patients and 13 healthy subjects. The mean values ({+-} SD) of peak area ratios were: IST: N-acetyl-aspartate (NAA)/choline-containing compounds (Cho) 1.79 {+-} 0.39, NAA/creatine and phosphocreatine compounds (Cr) 1.61 {+-} 0.38, Cho/Cr 0.91 {+-} 0.19; controls: NAA/Cho 2.07 {+-} 0.35, NAA/Cr 1.82 {+-} 0.31, Cho/Cr 0.89 {+-} 0.12. Statistical analysis showed that NAA/Cho and NAA/Cr were significantly lower in patients than in controls (P = 0.0304 and 0.0431, respectively). These results indicate a reduction in NAA, and suggest striatal involvement in the pathogenesis IST. (orig.)

  9. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    overall absorption spectrum of a molecule is a superposition of many such sharp lines .... dilute solution of the enzyme and the substrate over few drops of silicone oil placed ..... Near-field Scanning Optical Microscopy (NSOM): Development.

  10. Interdiffusion in epitaxial, single-crystalline Au/Ag thin films studied by Auger electron spectroscopy sputter-depth profiling and positron annihilation

    International Nuclear Information System (INIS)

    Noah, Martin A.; Flötotto, David; Wang, Zumin; Reiner, Markus; Hugenschmidt, Christoph; Mittemeijer, Eric J.

    2016-01-01

    Interdiffusion in epitaxial, single-crystalline Au/Ag bilayered thin films on Si (001) substrates was investigated by Auger electron spectroscopy (AES) sputter-depth profiling and by in-situ positron annihilation Doppler broadening spectroscopy (DBS). By the combination of these techniques identification of the role of vacancy sources and sinks on interdiffusion in the Au/Ag films was possible. It was found that with precise knowledge of the concentration-dependent self-diffusion and impurity diffusion coefficients a distinction between the Darken-Manning treatment and Nernst-Planck treatment can be made, which is not possible on the basis of the determined concentration-depth profiles alone.

  11. Sensitive detection of chlorine in iron oxide by single pulse and dual pulse laser-induced breakdown spectroscopy

    Science.gov (United States)

    Pedarnig, J. D.; Haslinger, M. J.; Bodea, M. A.; Huber, N.; Wolfmeir, H.; Heitz, J.

    2014-11-01

    The halogen chlorine is hard to detect in laser-induced breakdown spectroscopy (LIBS) mainly due to its high excited state energies of 9.2 and 10.4 eV for the most intense emission lines at 134.72 nm and 837.59 nm, respectively. We report on sensitive detection of Cl in industrial iron oxide Fe2O3 powder by single-pulse (SP) and dual-pulse (DP) LIBS measurements in the near infrared range in air. In compacted powder measured by SP excitation (Nd:YAG laser, 532 nm) Cl was detected with limit of detection LOD = 440 ppm and limit of quantitation LOQ = 720 ppm. Orthogonal DP LIBS was studied on pressed Fe2O3 pellets and Fe3O4 ceramics. The transmission of laser-induced plasma for orthogonal Nd:YAG 1064 nm and ArF 193 nm laser pulses showed a significant dependence on interpulse delay time (ipd) and laser wavelength (λL). The UV pulses (λL = 193 nm) were moderately absorbed in the plasma and the Cl I emission line intensity was enhanced while IR pulses (λL = 1064 nm) were not absorbed and Cl signals were not enhanced at ipd = 3 μs. The UV laser enhancement of Cl signals is attributed to the much higher signal/background ratio for orthogonal DP excitation compared to SP excitation and to the increased plasma temperature and electron number density. This enabled measurement at a very short delay time of td ≥ 0.1 μs with respect to the re-excitation pulse and detection of the very rapidly decaying Cl emission with higher efficiency.

  12. Investigation of adhesion and mechanical properties of human glioma cells by single cell force spectroscopy and atomic force microscopy.

    Science.gov (United States)

    Andolfi, Laura; Bourkoula, Eugenia; Migliorini, Elisa; Palma, Anita; Pucer, Anja; Skrap, Miran; Scoles, Giacinto; Beltrami, Antonio Paolo; Cesselli, Daniela; Lazzarino, Marco

    2014-01-01

    Active cell migration and invasion is a peculiar feature of glioma that makes this tumor able to rapidly infiltrate into the surrounding brain tissue. In our recent work, we identified a novel class of glioma-associated-stem cells (defined as GASC for high-grade glioma--HG--and Gasc for low-grade glioma--LG) that, although not tumorigenic, act supporting the biological aggressiveness of glioma-initiating stem cells (defined as GSC for HG and Gsc for LG) favoring also their motility. Migrating cancer cells undergo considerable molecular and cellular changes by remodeling their cytoskeleton and cell interactions with surrounding environment. To get a better understanding about the role of the glioma-associated-stem cells in tumor progression, cell deformability and interactions between glioma-initiating stem cells and glioma-associated-stem cells were investigated. Adhesion of HG/LG-cancer cells on HG/LG-glioma-associated stem cells was studied by time-lapse microscopy, while cell deformability and cell-cell adhesion strengths were quantified by indentation measurements by atomic force microscopy and single cell force spectroscopy. Our results demonstrate that for both HG and LG glioma, cancer-initiating-stem cells are softer than glioma-associated-stem cells, in agreement with their neoplastic features. The adhesion strength of GSC on GASC appears to be significantly lower than that observed for Gsc on Gasc. Whereas, GSC spread and firmly adhere on Gasc with an adhesion strength increased as compared to that obtained on GASC. These findings highlight that the grade of glioma-associated-stem cells plays an important role in modulating cancer cell adhesion, which could affect glioma cell migration, invasion and thus cancer aggressiveness. Moreover this work provides evidence about the importance of investigating cell adhesion and elasticity for new developments in disease diagnostics and therapeutics.

  13. Conformation-specific spectroscopy of capped glutamine-containing peptides: role of a single glutamine residue on peptide backbone preferences.

    Science.gov (United States)

    Walsh, Patrick S; Dean, Jacob C; McBurney, Carl; Kang, Hyuk; Gellman, Samuel H; Zwier, Timothy S

    2016-04-28

    The conformational preferences of a series of short, aromatic-capped, glutamine-containing peptides have been studied under jet-cooled conditions in the gas phase. This work seeks a bottom-up understanding of the role played by glutamine residues in directing peptide structures that lead to neurodegenerative diseases. Resonant ion-dip infrared (RIDIR) spectroscopy is used to record single-conformation infrared spectra in the NH stretch, amide I and amide II regions. Comparison of the experimental spectra with the predictions of calculations carried out at the DFT M05-2X/6-31+G(d) level of theory lead to firm assignments for the H-bonding architectures of a total of eight conformers of four molecules, including three in Z-Gln-OH, one in Z-Gln-NHMe, three in Ac-Gln-NHBn, and one in Ac-Ala-Gln-NHBn. The Gln side chain engages actively in forming H-bonds with nearest-neighbor amide groups, forming C8 H-bonds to the C-terminal side, C9 H-bonds to the N-terminal side, and an amide-stacked geometry, all with an extended (C5) peptide backbone about the Gln residue. The Gln side chain also stabilizes an inverse γ-turn in the peptide backbone by forming a pair of H-bonds that bridge the γ-turn and stabilize it. Finally, the entire conformer population of Ac-Ala-Gln-NHBn is funneled into a single structure that incorporates the peptide backbone in a type I β-turn, stabilized by the Gln side chain forming a C7 H-bond to the central amide group in the β-turn not otherwise involved in a hydrogen bond. This β-turn backbone structure is nearly identical to that observed in a series of X-(AQ)-Y β-turns in the protein data bank, demonstrating that the gas-phase structure is robust to perturbations imposed by the crystalline protein environment.

  14. Combined electron microscopy and spectroscopy characterization of as-received, acid purified, and oxidized HiPCO single-wall carbon nanotubes

    International Nuclear Information System (INIS)

    Rosario-Castro, Belinda I.; Contes, Enid J.; Lebron-Colon, Marisabel; Meador, Michael A.; Sanchez-Pomales, Germarie; Cabrera, Carlos R.

    2009-01-01

    Single-wall carbon nanotubes (SWCNTs) are very important materials due to their combination of unique structure, dimension, strength, chemical stability, and electronic properties. Nevertheless, SWCNTs from commercial sources usually contain several impurities, which are usually removed by a purification process that includes reflux in acids and strong oxidation. This strong chemical procedure may alter the nanotube properties and it is thus important to control the extent of functionalization and oxidation during the purification procedure. In this report, we provide a comprehensive study of the structure and physical composition of SWCNTs during each step of the purification process. Techniques such as Raman spectroscopy, transmission electron microscopy, scanning electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy and Infrared spectroscopy were used to track the SWCNTs structure, in terms of length and diameter distribution, and surface chemical modifications during each purification stage.

  15. Comparison of internal radiation doses estimated by MIRD and voxel techniques for a ''family'' of phantoms

    International Nuclear Information System (INIS)

    Smith, T.

    2000-01-01

    were considered as a single group. In 12 comparisons of effective dose, the mean voxel to MIRD ratio was 1.07 (range 0.72-1.32). It was shown for the majority of cases that, whereas some large differences in SAF values exist, differences in source organ and effective dose values between the MIRD and voxel metods were largely accounted for by the respective organ mass differences. The reasons for various organ dose differences with the selected radiopharmaceuticals are discussed. Taking biological variation into account, there is reasonable agreement between the two methods but some significant differences exist that warrant further investigation. More extensive comparisons involving a wide variety of voxel phantoms are required to establish whether realistic voxel phantoms should eventually replace the MIRD system. (orig.)

  16. Laser-induced forward transfer (LIFT) of congruent voxels

    Energy Technology Data Exchange (ETDEWEB)

    Piqué, Alberto, E-mail: pique@nrl.navy.mil [Materials Science and Technology Division, Code 6364, Naval Research Laboratory, Washington, DC 20375 (United States); Kim, Heungsoo; Auyeung, Raymond C.Y.; Beniam, Iyoel [Materials Science and Technology Division, Code 6364, Naval Research Laboratory, Washington, DC 20375 (United States); Breckenfeld, Eric [National Research Council Fellow at the Naval Research Laboratory, Washington, DC 20375 (United States)

    2016-06-30

    Highlights: • Laser-induced forward transfer (LIFT) is demonstrated with high viscosity Ag nanopaste. • Under the right conditions (viscosity and fluence) the transfer of congruent voxels was achieved. • For viscosities under 100 Pa s, congruent voxel transfer of silver nano-suspensions is only possible under a very narrow range of conditions. • For viscosities over 100 Pa s, congruent voxel transfer of silver nano-pastes works over a wider range of fluences, donor substrate thickness, gap distances and voxel areas. • The laser transfer of congruent voxels can be used for printing electronic patterns in particular interconnects. - Abstract: Laser-induced forward transfer (LIFT) of functional materials offers unique advantages and capabilities for the rapid prototyping of electronic, optical and sensor elements. The use of LIFT for printing high viscosity metallic nano-inks and nano-pastes can be optimized for the transfer of voxels congruent with the shape of the laser pulse, forming thin film-like structures non-lithographically. These processes are capable of printing patterns with excellent lateral resolution and thickness uniformity typically found in 3-dimensional stacked assemblies, MEMS-like structures and free-standing interconnects. However, in order to achieve congruent voxel transfer with LIFT, the particle size and viscosity of the ink or paste suspensions must be adjusted to minimize variations due to wetting and drying effects. When LIFT is carried out with high-viscosity nano-suspensions, the printed voxel size and shape become controllable parameters, allowing the printing of thin-film like structures whose shape is determined by the spatial distribution of the laser pulse. The result is a new level of parallelization beyond current serial direct-write processes whereby the geometry of each printed voxel can be optimized according to the pattern design. This work shows how LIFT of congruent voxels can be applied to the fabrication of 2D

  17. Laser-induced forward transfer (LIFT) of congruent voxels

    International Nuclear Information System (INIS)

    Piqué, Alberto; Kim, Heungsoo; Auyeung, Raymond C.Y.; Beniam, Iyoel; Breckenfeld, Eric

    2016-01-01

    Highlights: • Laser-induced forward transfer (LIFT) is demonstrated with high viscosity Ag nanopaste. • Under the right conditions (viscosity and fluence) the transfer of congruent voxels was achieved. • For viscosities under 100 Pa s, congruent voxel transfer of silver nano-suspensions is only possible under a very narrow range of conditions. • For viscosities over 100 Pa s, congruent voxel transfer of silver nano-pastes works over a wider range of fluences, donor substrate thickness, gap distances and voxel areas. • The laser transfer of congruent voxels can be used for printing electronic patterns in particular interconnects. - Abstract: Laser-induced forward transfer (LIFT) of functional materials offers unique advantages and capabilities for the rapid prototyping of electronic, optical and sensor elements. The use of LIFT for printing high viscosity metallic nano-inks and nano-pastes can be optimized for the transfer of voxels congruent with the shape of the laser pulse, forming thin film-like structures non-lithographically. These processes are capable of printing patterns with excellent lateral resolution and thickness uniformity typically found in 3-dimensional stacked assemblies, MEMS-like structures and free-standing interconnects. However, in order to achieve congruent voxel transfer with LIFT, the particle size and viscosity of the ink or paste suspensions must be adjusted to minimize variations due to wetting and drying effects. When LIFT is carried out with high-viscosity nano-suspensions, the printed voxel size and shape become controllable parameters, allowing the printing of thin-film like structures whose shape is determined by the spatial distribution of the laser pulse. The result is a new level of parallelization beyond current serial direct-write processes whereby the geometry of each printed voxel can be optimized according to the pattern design. This work shows how LIFT of congruent voxels can be applied to the fabrication of 2D

  18. Dynamics of Al/Fe{sub 2}O{sub 3} MIC combustion from short single-pulse photothermal initiation and time-resolved spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Stiegman, Albert E.; Park, Chi-Dong; Mileham, Melissa; Van de Burgt, Lambertus J. [Department of Chemistry and Biochemistry, Florida State University Tallahassee, FL (United States); Kramer, Michael P. [AFRL/MNME Eglin AFB, FL (United States)

    2009-08-15

    Time-resolved spectroscopy was used to study the dynamics of the photothermal ignition of Al/Fe{sub 2}O{sub 3} metastable intermolecular composites after single short-pulse laser initiation. The dynamics were recorded in several time domains from nanosecond to microsecond to quantify the dynamics from initial laser excitation to combustion. Time-averaged spectral data were also collected for the overall emission occurring during combustion. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  19. Luminescence and charge trapping in Cs.sub.2./sub.HfCl.sub.6./sub. single crystals: optical and magnetic resonance spectroscopy study

    Czech Academy of Sciences Publication Activity Database

    Král, Robert; Babin, Vladimir; Mihóková, Eva; Buryi, Maksym; Laguta, Valentyn; Nitsch, Karel; Nikl, Martin

    2017-01-01

    Roč. 121, č. 22 (2017), s. 12375-12382 ISSN 1932-7447 R&D Projects: GA MŠk LO1409; GA ČR GA17-09933S Institutional support: RVO:68378271 Keywords : Cs2HfCl6 * single crystal * luminescence * temperature dependence * EPR spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.536, year: 2016

  20. Combining EPR spectroscopy and X-ray crystallography to elucidate the structure and dynamics of conformationally constrained spin labels in T4 lysozyme single crystals.

    Science.gov (United States)

    Consentius, Philipp; Gohlke, Ulrich; Loll, Bernhard; Alings, Claudia; Heinemann, Udo; Wahl, Markus C; Risse, Thomas

    2017-08-09

    Electron paramagnetic resonance (EPR) spectroscopy in combination with site-directed spin labeling is used to investigate the structure and dynamics of conformationally constrained spin labels in T4 lysozyme single crystals. Within a single crystal, the oriented ensemble of spin bearing moieties results in a strong angle dependence of the EPR spectra. A quantitative description of the EPR spectra requires the determination of the unit cell orientation with respect to the sample tube and the orientation of the spin bearing moieties within the crystal lattice. Angle dependent EPR spectra were analyzed by line shape simulations using the stochastic Liouville equation approach developed by Freed and co-workers and an effective Hamiltonian approach. The gain in spectral information obtained from the EPR spectra of single crystalline samples taken at different frequencies, namely the X-band and Q-band, allows us to discriminate between motional models describing the spectra of isotropic solutions similarly well. In addition, it is shown that the angle dependent single crystal spectra allow us to identify two spin label rotamers with very similar side chain dynamics. These results demonstrate the utility of single crystal EPR spectroscopy in combination with spectral line shape simulation techniques to extract valuable dynamic information not readily available from the analysis of isotropic systems. In addition, it will be shown that the loss of electron density in high resolution diffraction experiments at room temperature does not allow us to conclude that there is significant structural disorder in the system.

  1. Voxel-based lesion analysis of brain regions underlying reading and writing.

    Science.gov (United States)

    Baldo, Juliana V; Kacinik, Natalie; Ludy, Carl; Paulraj, Selvi; Moncrief, Amber; Piai, Vitória; Curran, Brian; Turken, And; Herron, Tim; Dronkers, Nina F

    2018-03-20

    The neural basis of reading and writing has been a source of inquiry as well as controversy in the neuroscience literature. Reading has been associated with both left posterior ventral temporal zones (termed the "visual word form area") as well as more dorsal zones, primarily in left parietal cortex. Writing has also been associated with left parietal cortex, as well as left sensorimotor cortex and prefrontal regions. Typically, the neural basis of reading and writing are examined in separate studies and/or rely on single case studies exhibiting specific deficits. Functional neuroimaging studies of reading and writing typically identify a large number of activated regions but do not necessarily identify the core, critical hubs. Last, due to constraints on the functional imaging environment, many previous studies have been limited to measuring the brain activity associated with single-word reading and writing, rather than sentence-level processing. In the current study, the brain correlates of reading and writing at both the single- and sentence-level were studied in a large sample of 111 individuals with a history of chronic stroke using voxel-based lesion symptom mapping (VLSM). VLSM provides a whole-brain, voxel-by-voxel statistical analysis of the role of distinct regions in a particular behavior by comparing performance of individuals with and without a lesion at every voxel. Rather than comparing individual cases or small groups with particular behavioral dissociations in reading and writing, VLSM allowed us to analyze data from a large, well-characterized sample of stroke patients exhibiting a wide range of reading and writing impairments. The VLSM analyses revealed that reading was associated with a critical left inferior temporo-occipital focus, while writing was primarily associated with the left supramarginal gyrus. Separate VLSM analyses of single-word versus sentence-level reading showed that sentence-level reading was uniquely associated with anterior

  2. a Voxel-Based Filtering Algorithm for Mobile LIDAR Data

    Science.gov (United States)

    Qin, H.; Guan, G.; Yu, Y.; Zhong, L.

    2018-04-01

    This paper presents a stepwise voxel-based filtering algorithm for mobile LiDAR data. In the first step, to improve computational efficiency, mobile LiDAR points, in xy-plane, are first partitioned into a set of two-dimensional (2-D) blocks with a given block size, in each of which all laser points are further organized into an octree partition structure with a set of three-dimensional (3-D) voxels. Then, a voxel-based upward growing processing is performed to roughly separate terrain from non-terrain points with global and local terrain thresholds. In the second step, the extracted terrain points are refined by computing voxel curvatures. This voxel-based filtering algorithm is comprehensively discussed in the analyses of parameter sensitivity and overall performance. An experimental study performed on multiple point cloud samples, collected by different commercial mobile LiDAR systems, showed that the proposed algorithm provides a promising solution to terrain point extraction from mobile point clouds.

  3. Laser-induced forward transfer (LIFT) of congruent voxels

    Science.gov (United States)

    Piqué, Alberto; Kim, Heungsoo; Auyeung, Raymond C. Y.; Beniam, Iyoel; Breckenfeld, Eric

    2016-06-01

    Laser-induced forward transfer (LIFT) of functional materials offers unique advantages and capabilities for the rapid prototyping of electronic, optical and sensor elements. The use of LIFT for printing high viscosity metallic nano-inks and nano-pastes can be optimized for the transfer of voxels congruent with the shape of the laser pulse, forming thin film-like structures non-lithographically. These processes are capable of printing patterns with excellent lateral resolution and thickness uniformity typically found in 3-dimensional stacked assemblies, MEMS-like structures and free-standing interconnects. However, in order to achieve congruent voxel transfer with LIFT, the particle size and viscosity of the ink or paste suspensions must be adjusted to minimize variations due to wetting and drying effects. When LIFT is carried out with high-viscosity nano-suspensions, the printed voxel size and shape become controllable parameters, allowing the printing of thin-film like structures whose shape is determined by the spatial distribution of the laser pulse. The result is a new level of parallelization beyond current serial direct-write processes whereby the geometry of each printed voxel can be optimized according to the pattern design. This work shows how LIFT of congruent voxels can be applied to the fabrication of 2D and 3D microstructures by adjusting the viscosity of the nano-suspension and laser transfer parameters.

  4. Coarse Point Cloud Registration by Egi Matching of Voxel Clusters

    Science.gov (United States)

    Wang, Jinhu; Lindenbergh, Roderik; Shen, Yueqian; Menenti, Massimo

    2016-06-01

    Laser scanning samples the surface geometry of objects efficiently and records versatile information as point clouds. However, often more scans are required to fully cover a scene. Therefore, a registration step is required that transforms the different scans into a common coordinate system. The registration of point clouds is usually conducted in two steps, i.e. coarse registration followed by fine registration. In this study an automatic marker-free coarse registration method for pair-wise scans is presented. First the two input point clouds are re-sampled as voxels and dimensionality features of the voxels are determined by principal component analysis (PCA). Then voxel cells with the same dimensionality are clustered. Next, the Extended Gaussian Image (EGI) descriptor of those voxel clusters are constructed using significant eigenvectors of each voxel in the cluster. Correspondences between clusters in source and target data are obtained according to the similarity between their EGI descriptors. The random sampling consensus (RANSAC) algorithm is employed to remove outlying correspondences until a coarse alignment is obtained. If necessary, a fine registration is performed in a final step. This new method is illustrated on scan data sampling two indoor scenarios. The results of the tests are evaluated by computing the point to point distance between the two input point clouds. The presented two tests resulted in mean distances of 7.6 mm and 9.5 mm respectively, which are adequate for fine registration.

  5. Giga-voxel computational morphogenesis for structural design

    Science.gov (United States)

    Aage, Niels; Andreassen, Erik; Lazarov, Boyan S.; Sigmund, Ole

    2017-10-01

    In the design of industrial products ranging from hearing aids to automobiles and aeroplanes, material is distributed so as to maximize the performance and minimize the cost. Historically, human intuition and insight have driven the evolution of mechanical design, recently assisted by computer-aided design approaches. The computer-aided approach known as topology optimization enables unrestricted design freedom and shows great promise with regard to weight savings, but its applicability has so far been limited to the design of single components or simple structures, owing to the resolution limits of current optimization methods. Here we report a computational morphogenesis tool, implemented on a supercomputer, that produces designs with giga-voxel resolution—more than two orders of magnitude higher than previously reported. Such resolution provides insights into the optimal distribution of material within a structure that were hitherto unachievable owing to the challenges of scaling up existing modelling and optimization frameworks. As an example, we apply the tool to the design of the internal structure of a full-scale aeroplane wing. The optimized full-wing design has unprecedented structural detail at length scales ranging from tens of metres to millimetres and, intriguingly, shows remarkable similarity to naturally occurring bone structures in, for example, bird beaks. We estimate that our optimized design corresponds to a reduction in mass of 2-5 per cent compared to currently used aeroplane wing designs, which translates into a reduction in fuel consumption of about 40-200 tonnes per year per aeroplane. Our morphogenesis process is generally applicable, not only to mechanical design, but also to flow systems, antennas, nano-optics and micro-systems.

  6. High-pressure behavior of α-boron studied on single crystals by X-ray diffraction, Raman and IR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chuvashova, Irina, E-mail: irina.chuvashova@gmail.com [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany); Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Bykova, Elena; Bykov, Maxim [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Svitlyk, Volodymyr [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble Cedex (France); Gasharova, Biliana [Institute for Photon Science and Synchrotron Radiation, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Mathis, Yves-Laurent [ANKA Synchrotron Radiation Facility, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); IBPT, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Caracas, Razvan [CNRS, Laboratoire de Géologie de Lyon, ENS de Lyon, UCBL Lyon 1, Université de Lyon (France); Dubrovinsky, Leonid [Bayerisches Geoinstitut, University of Bayreuth, D-95440 Bayreuth (Germany); Dubrovinskaia, Natalia [Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, D-95440 Bayreuth (Germany)

    2017-01-15

    In the present study single crystals of rhombohedral α-B were investigated under pressure to 60 GPa by means of single-crystal X-ray diffraction. The bulk modulus of α-B was found to be K=224(7) GPa (K′=3.0(3)). Measurements of interatomic distances as a function of pressure revealed that the intericosahedral two-center two-electron (2c–2e) bonds are almost as stiff as some of intraicosahedral ones. The three-center two-electron (3c–2e) intericosahedral bonds show much higher compliance compared to other bonds in α-B. The vibrational properties of α-B under pressure were investigated by Raman spectroscopy at pressures up to 160 GPa and IR spectroscopy at pressures up to 53 GPa. - Graphical abstract: The rhombohedral α-B is highly incompressible and extremely stable: it maintains its crystal structure up to 160 GPa and its intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones. - Highlights: • Structural stability of α-B has been investigated up to 160 GPa on single crystals. • Single-crystal x-ray diffraction reveals that α-B is highly incompressible. • Compressibility of B{sub 12} icosahedra is considerably lower than that of the bulk material. • Intericosahedral 2e2c bonds are almost as stiff as some of intraicosahedral ones.

  7. Construction of average adult Japanese voxel phantoms for dose assessment

    International Nuclear Information System (INIS)

    Sato, Kaoru; Takahashi, Fumiaki; Satoh, Daiki; Endo, Akira

    2011-12-01

    The International Commission on Radiological Protection (ICRP) adopted the adult reference voxel phantoms based on the physiological and anatomical reference data of Caucasian on October, 2007. The organs and tissues of these phantoms were segmented on the basis of ICRP Publication 103. In future, the dose coefficients for internal dose and dose conversion coefficients for external dose calculated using the adult reference voxel phantoms will be widely used for the radiation protection fields. On the other hand, the body sizes and organ masses of adult Japanese are generally smaller than those of adult Caucasian. In addition, there are some cases that the anatomical characteristics such as body sizes, organ masses and postures of subjects influence the organ doses in dose assessment for medical treatments and radiation accident. Therefore, it was needed to use human phantoms with average anatomical characteristics of Japanese. The authors constructed the averaged adult Japanese male and female voxel phantoms by modifying the previously developed high-resolution adult male (JM) and female (JF) voxel phantoms. It has been modified in the following three aspects: (1) The heights and weights were agreed with the Japanese averages; (2) The masses of organs and tissues were adjusted to the Japanese averages within 10%; (3) The organs and tissues, which were newly added for evaluation of the effective dose in ICRP Publication 103, were modeled. In this study, the organ masses, distances between organs, specific absorbed fractions (SAFs) and dose conversion coefficients of these phantoms were compared with those evaluated using the ICRP adult reference voxel phantoms. This report provides valuable information on the anatomical and dosimetric characteristics of the averaged adult Japanese male and female voxel phantoms developed as reference phantoms of adult Japanese. (author)

  8. Studies on the condition of obtaining a single phase superconducting Nb/sub 3/Sn layer by Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, B [Politechnika Wroclawska (Poland); Chojcan, J [Wroclaw Univ. (Poland)

    1983-11-16

    The /sup 119/Sn Moessbauer spectroscopy was used to examine the influence of temperature (1153 to 1253 K) and heating time (11 and 22 min) on the formation of the ..beta..-Nb/sub 3/Sn phase in simultaneous processes: peritectic reaction of NbSn/sub 2/ phase decomposition and reactive diffusion of Sn atoms into the Nb1.5%Zr base.

  9. Electronic structure of antiferromagnetic UN and UPtGe single crystals from optical and magneto-optical spectroscopy

    International Nuclear Information System (INIS)

    Marutzky, M.

    2006-01-01

    In this thesis the study of the magneto-optical Kerr effect and the determination of the optical constants by means of ellipsometry and Fourier-transformation infrared spectroscopy of UN and UPtGe is described. In UPtGe an optical anisotropy was detected over a spectral range from 6 meV to 32 eV. (HSI)

  10. Voxel effects within digital images of trabecular bone and their consequences on chord-length distribution measurements

    International Nuclear Information System (INIS)

    Rajon, D.A.; Shah, A.P.; Watchman, C.J.; Bolch, W.E.; Jokisch, D.W.; Patton, P.W.

    2002-01-01

    Chord-length distributions through the trabecular regions of the skeleton have been investigated since the early 1960s. These distributions have become important features for bone marrow dosimetry; as such, current models rely on the accuracy of their measurements. Recent techniques utilize nuclear magnetic resonance (NMR) microscopy to acquire 3D images of trabecular bone that are then used to measure 3D chord-length distributions by Monte Carlo methods. Previous studies have shown that two voxel effects largely affect the acquisition of these distributions within digital images. One is particularly pertinent as it dramatically changes the shape of the distribution and reduces its mean. An attempt was made to reduce this undesirable effect and good results were obtained for a single-sphere model using minimum acceptable chord (MAC) methods (Jokisch et al 2001 Med. Phys. 28 1493-504). The goal of the present work is to extend the study of these methods to more general models in order to better quantify their consequences. First, a mathematical model of a trabecular bone sample was used to test the usefulness of the MAC methods. The results showed that these methods were not efficient for this simulated bone model. These methods were further tested on a single voxelized sphere over a large range of voxel sizes. The results showed that the MAC methods are voxel-size dependent and overestimate the mean chord length for typical resolutions used with NMR microscopy. The study further suggests that bone and marrow chord-length distributions currently utilized in skeletal dosimetry models are most likely affected by voxel effects that yield values of mean chord length lower than their true values. (author)

  11. 1H-MR spectroscopy in anorexia nervosa. Reversible cerebral metabolic changes

    International Nuclear Information System (INIS)

    Moeckel, R.; Schlemmer, H.P.; Becker, G.; Koepke, J.; Georgi, M.; Gueckel, C.; Goepel, C.; Schmidt, M.; Hentschel, F.

    1999-01-01

    Purpose: By using localized 1 H-MR spectroscopy in the brain of patients with anorexia nervosa we wanted to verify our preliminary results and to look for a reversibility of the metabolic changes under therapy. Methods: In 22 patients and 17 healthy volunteers (11 follow-up examinations) single voxel 1 H-MR spectroscopy (TE=50 ms, TM=30 ms, TR=1500 ms, voxel (2 cm) 3 , acq.: 256) was used in two different localizations (thalamus and parieto-occipital region). The first examination of the patients was performed before therapy, the follow-up examination at the end of therapy. Results: In both regions of the brain we found a statistically significant elevation of the Cho/Cr-ratio in comparison to normal controls. The follow-up examinations revealed reversibility of the metabolic changes under successful therapy. Conclusion: 1 H-MR spectroscopy reveals metabolic changes in the brain of patients with anorexia nervosa, which are reversible under successful therapy. These metabolic changes can be conclusively explained using a biochemical model. (orig.) [de

  12. Functional Single-Cell Approach to Probing Nitrogen-Fixing Bacteria in Soil Communities by Resonance Raman Spectroscopy with 15N2 Labeling.

    Science.gov (United States)

    Cui, Li; Yang, Kai; Li, Hong-Zhe; Zhang, Han; Su, Jian-Qiang; Paraskevaidi, Maria; Martin, Francis L; Ren, Bin; Zhu, Yong-Guan

    2018-04-17

    Nitrogen (N) fixation is the conversion of inert nitrogen gas (N 2 ) to bioavailable N essential for all forms of life. N 2 -fixing microorganisms (diazotrophs), which play a key role in global N cycling, remain largely obscure because a large majority are uncultured. Direct probing of active diazotrophs in the environment is still a major challenge. Herein, a novel culture-independent single-cell approach combining resonance Raman (RR) spectroscopy with 15 N 2 stable isotope probing (SIP) was developed to discern N 2 -fixing bacteria in a complex soil community. Strong RR signals of cytochrome c (Cyt c, frequently present in diverse N 2 -fixing bacteria), along with a marked 15 N 2 -induced Cyt c band shift, generated a highly distinguishable biomarker for N 2 fixation. 15 N 2 -induced shift was consistent well with 15 N abundance in cell determined by isotope ratio mass spectroscopy. By applying this biomarker and Raman imaging, N 2 -fixing bacteria in both artificial and complex soil communities were discerned and imaged at the single-cell level. The linear band shift of Cyt c versus 15 N 2 percentage allowed quantification of N 2 fixation extent of diverse soil bacteria. This single-cell approach will advance the exploration of hitherto uncultured diazotrophs in diverse ecosystems.

  13. Correlated single-crystal electronic absorption spectroscopy and X-ray crystallography at NSLS beamline X26-C

    International Nuclear Information System (INIS)

    Orville, A.M.; Buono, R.; Cowan, M.; Heroux, A.; Shea-McCarthy, G.; Schneider, D.K.; Skinner, J.M.; Skinner, M.J.; Stoner-Ma, D.; Sweet, R.M.

    2011-01-01

    The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

  14. Structure determination of the single glycan of rabbit serotransferrin by methylation analysis and 360 MHz /sup 1/H NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Leger, D; Tordera, V; Spik, G [Lille-1 Univ., 59 - Villeneuve-d' Ascq (France); Dorland, L; Haverkamp, J; Vliegenthart, J F.G. [Rijksuniversiteit Utrecht (Netherlands)

    1978-09-15

    The glycopeptide fraction of rabbit serotransferrin (STF) has been investigated applying an original method for the determination of glycan primary structure combining monosaccharide determination, permethylation and 360 MHz /sup 1/H NMR. It is concluded that the highly purified rabbit transferrin contains only 1 glycan chain/molecule. A heterogeneity of the glycan moiety in the sialic acid residues was observed on isolation by paper electrophoresis of a disialylglycopeptide G-1 and a monosialylglycopeptide 2. The primary structure of glycopeptide G-1 deduced on the basis of the data of carbohydrate composition, permethylation analysis and 360 MHz /sup 1/H NMR spectroscopy is identical to the primary structure of human serotransferrin glycan and the glycopeptide G-2 was shown by /sup 1/H NMR spectroscopy, to be a mixture of two isomeric monosialylglycopeptides.

  15. Structure determination of the single glycan of rabbit serotransferrin by methylation analysis and 360 MHz 1H NMR spectroscopy

    International Nuclear Information System (INIS)

    Leger, D.; Tordera, V.; Spik, G.; Dorland, L.; Haverkamp, J.; Vliegenthart, J.F.G.

    1978-01-01

    The glycopeptide fraction of rabbit serotransferrin (STF) has been investigated applying an original method for the determination of glycan primary structure combining monosaccharide determination, permethylation and 360 MHz 1 H NMR. It is concluded that the highly purified rabbit transferrin contains only 1 glycan chain/molecule. A heterogeneity of the glycan moiety in the sialic acid residues was observed on isolation by paper electrophoresis of a disialylglycopeptide G-1 and a monosialylglycopeptide 2. The primary structure of glycopeptide G-1 deduced on the basis of the data of carbohydrate composition, permethylation analysis and 360 MHz 1 H NMR spectroscopy is identical to the primary structure of human serotransferrin glycan and the glycopeptide G-2 was shown by 1 H NMR spectroscopy, to be a mixture of two isomeric monosialylglycopeptides. (Auth.)

  16. An Improved Optimization Method for the Relevance Voxel Machine

    DEFF Research Database (Denmark)

    Ganz, Melanie; Sabuncu, M. R.; Van Leemput, Koen

    2013-01-01

    In this paper, we will re-visit the Relevance Voxel Machine (RVoxM), a recently developed sparse Bayesian framework used for predicting biological markers, e.g., presence of disease, from high-dimensional image data, e.g., brain MRI volumes. The proposed improvement, called IRVoxM, mitigates the ...

  17. Development of the Reference Korean Female Voxel Phantom

    International Nuclear Information System (INIS)

    Ham, Bo Kyoung; Cho, Kun Woo; Yeom, Yoen Soo; Jeong, Jong Hwi; Kim, Chan Hyeong; Han, Min Cheol

    2012-01-01

    The objective of this study is for development of the reference Korean female phantom, HDRK-Woman. The phantom was constructed by adjusting a Korean woman voxel phantom to the Reference Korean data. The Korean woman phantom had been developed based on the high-resolution color slice images obtained from an adult Korean female cadaver. There were a total of 39 organs including the 27 organs specified in ICRP 103 for effective dose calculation. The voxel resolution of the phantom was 1.967 X 1.967 X X 2.0619 mm 3 and the voxel array size is 261 X 109 X 825 in the x, y and z directions. Then, the voxel resolution was changed to 2.0351 X 2.0351 X 2.0747 mm 3 for adjustment of the height and total bone mass of the phantom to the Reference Korean data. Finally, the internal organs and tissue were adjusted using in-house software program developed for 3D volume adjustment of the organs and tissue. The effective dose values of HDRK phantoms were calculated for broad parallel photon beams using MCNPX Monte Carlo code and compared with those of ICRP phantoms.

  18. Development of the Reference Korean Female Voxel Phantom

    Energy Technology Data Exchange (ETDEWEB)

    Ham, Bo Kyoung; Cho, Kun Woo [University of Science and Technology, Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of); Yeom, Yoen Soo; Jeong, Jong Hwi; Kim, Chan Hyeong; Han, Min Cheol [Hanyang University, Seoul (Korea, Republic of)

    2012-03-15

    The objective of this study is for development of the reference Korean female phantom, HDRK-Woman. The phantom was constructed by adjusting a Korean woman voxel phantom to the Reference Korean data. The Korean woman phantom had been developed based on the high-resolution color slice images obtained from an adult Korean female cadaver. There were a total of 39 organs including the 27 organs specified in ICRP 103 for effective dose calculation. The voxel resolution of the phantom was 1.967 X 1.967 X X 2.0619 mm{sup 3} and the voxel array size is 261 X 109 X 825 in the x, y and z directions. Then, the voxel resolution was changed to 2.0351 X 2.0351 X 2.0747 mm{sup 3} for adjustment of the height and total bone mass of the phantom to the Reference Korean data. Finally, the internal organs and tissue were adjusted using in-house software program developed for 3D volume adjustment of the organs and tissue. The effective dose values of HDRK phantoms were calculated for broad parallel photon beams using MCNPX Monte Carlo code and compared with those of ICRP phantoms.

  19. Quality control of geological voxel models using experts' gaze

    NARCIS (Netherlands)

    Maanen, P.P. van; Busschers, F.S.; Brouwer, A.M.; Meulen, M.J. van der; Erp, J.B.F. van

    2015-01-01

    Due to an expected increase in geological voxel model data-flow and user demands, the development of improved quality control for such models is crucial. This study explores the potential of a new type of quality control that improves the detection of errors by just using gaze behavior of 12

  20. Quality Control of Geological Voxel Models using Experts' Gaze

    NARCIS (Netherlands)

    van Maanen, Peter-Paul; Busschers, Freek S.; Brouwer, Anne-Marie; van der Meulendijk, Michiel J.; van Erp, Johannes Bernardus Fransiscus

    Due to an expected increase in geological voxel model data-flow and user demands, the development of improved quality control for such models is crucial. This study explores the potential of a new type of quality control that improves the detection of errors by just using gaze behavior of 12

  1. Voxel Advanced Digital-manufacturing for Earth & Regolith in Space

    Data.gov (United States)

    National Aeronautics and Space Administration — A voxel is a discrete three-dimensional (3D) element of material that is used to construct a larger 3D object. It is the 3D equivalent of a pixel. This project will...

  2. A Morphological Approach to the Voxelization of Solids

    DEFF Research Database (Denmark)

    Bærentzen, Jakob Andreas; Sramek, Milos; Christensen, Niels Jørgen

    2000-01-01

    In this paper we present a new, morphological criterion for determining whether a geometric solid is suitable for voxelization at a given resolution. The criterion embodies two conditions, namely that the curvature of the solid must be bounded and the critical points of the distance field must be...

  3. E1 Gap of Wurtzite InAs Single Nanowires Measured by Means of Resonant Raman Spectroscopy

    International Nuclear Information System (INIS)

    Moeller, M.; Lima, M. M. Jr. de; Cantarero, A.; Dacal, L. C. O.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.

    2011-01-01

    Indium arsenide nanowires were synthesized with an intermixing of wurtzite and zincblende structure by chemical beam epitaxy with the vapor-liquid-solid mechanism. Resonant Raman spectroscopy of the transverse optical phonon mode at 215 cm -1 reveals an E 1 gap of 2.47 eV which is assigned to the electronic band gap at the A point in the indium arsenide wurtzite phase.

  4. E1 Gap of Wurtzite InAs Single Nanowires Measured by Means of Resonant Raman Spectroscopy

    Science.gov (United States)

    Möller, M.; Dacal, L. C. O.; de Lima, M. M.; Iikawa, F.; Chiaramonte, T.; Cotta, M. A.; Cantarero, A.

    2011-12-01

    Indium arsenide nanowires were synthesized with an intermixing of wurtzite and zincblende structure by chemical beam epitaxy with the vapor-liquid-solid mechanism. Resonant Raman spectroscopy of the transverse optical phonon mode at 215 cm-1 reveals an E1 gap of 2.47 eV which is assigned to the electronic band gap at the A point in the indium arsenide wurtzite phase.

  5. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Hänsel-Ziegler, W.; Freund, H.-J. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Seiler, A. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Laboratorium für Applikationen der Synchrotronstrahlung, KIT Campus Süd, Kaiserstr. 12, 76131 Karlsruhe (Germany); Bondarchuk, O. [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); CIC energiGUNE, Parque Tecnologico, C/Albert Einstein 48, CP 01510 Minano (Alava) (Spain); Risse, T., E-mail: risse@chemie.fu-berlin.de [Fritz-Haber-Institut der MPG, Faradayweg 4-6, 14195 Berlin (Germany); Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin (Germany)

    2014-08-01

    A new ultrahigh vacuum (UHV) electron paramagnetic resonance (EPR) spectrometer operating at 94 GHz to investigate paramagnetic centers on single crystal surfaces is described. It is particularly designed to study paramagnetic centers on well-defined model catalysts using epitaxial thin oxide films grown on metal single crystals. The EPR setup is based on a commercial Bruker E600 spectrometer, which is adapted to ultrahigh vacuum conditions using a home made Fabry Perot resonator. The key idea of the resonator is to use the planar metal single crystal required to grow the single crystalline oxide films as one of the mirrors of the resonator. EPR spectroscopy is solely sensitive to paramagnetic species, which are typically minority species in such a system. Hence, additional experimental characterization tools are required to allow for a comprehensive investigation of the surface. The apparatus includes a preparation chamber hosting equipment, which is required to prepare supported model catalysts. In addition, surface characterization tools such as low energy electron diffraction (LEED)/Auger spectroscopy, temperature programmed desorption (TPD), and infrared reflection absorption spectroscopy (IRAS) are available to characterize the surfaces. A second chamber used to perform EPR spectroscopy at 94 GHz has a room temperature scanning tunneling microscope attached to it, which allows for real space structural characterization. The heart of the UHV adaptation of the EPR experiment is the sealing of the Fabry-Perot resonator against atmosphere. To this end it is possible to use a thin sapphire window glued to the backside of the coupling orifice of the Fabry Perot resonator. With the help of a variety of stabilization measures reducing vibrations as well as thermal drift it is possible to accumulate data for a time span, which is for low temperature measurements only limited by the amount of liquid helium. Test measurements show that the system can detect paramagnetic

  6. Two gap superconductivity in Ba0.55K0.45Fe2As2 single crystals studied by the directional point-contact Andreev reflection spectroscopy

    International Nuclear Information System (INIS)

    Szabo, P.; Pribulova, Z.; Pristas, G.; Bud'ko, S.L.; Canfield, P.C.; Samuely, P.

    2009-01-01

    First directional point-contact Andreev reflection spectroscopy on the Ba 0.55 K 0.45 Fe 2 As 2 single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps Δ S ∼2-5 meV and Δ L ∼9-11 meV are detected.

  7. X-ray absorption spectroscopy of single-crystalline (VO)2P2O7: Electronic structure and possible exchange paths

    International Nuclear Information System (INIS)

    Gerhold, S.; Nu''cker, N.; Kuntscher, C. A.; Schuppler, S.; Stadler, S.; Idzerda, Y. U.; Prokofiev, A. V.; Bu''llesfeld, F.; Assmus, W.

    2001-01-01

    Using polarization-dependent V2p and O1s near-edge x-ray absorption spectroscopy, we studied the unoccupied electronic structure of single-crystalline (VO) 2 P 2 O 7 . It is highly anisotropic, and shows similarities to vanadium oxides like VO 2 and V 2 O 5 at the V2p edge and at the O1s threshold. The contributions from V-O and P-O orbitals could be identified. The results rule out the spin ladder model for the magnetic behavior of (VO) 2 P 2 O 7 , but are consistent with the alternating chain scenario

  8. Preparing a voxel-simulator of Alderson Rando physical phantom

    International Nuclear Information System (INIS)

    Boia, Leonardo S.; Martins, Maximiano C.; Silva, Ademir X.; Salmon Junior, Helio A.; Soares, Alessandro F.N.S.

    2011-01-01

    There are, nowadays, sorts of anthropomorphycal phantoms which are used for simulation of radiation transport by the matter and also the deposition of energy in such radiation in human tissues and organs, because an in-vitro dosimetry becomes very either complicated or even impossible in some cases. In the present work we prepared a computational phantom in voxels based on computational tomography of Rando-Alderson. This phantom is one of the most known human body simulators on the scope of ionizing radiation dosimetry, and it is used for radioprotection issues and dosimetry from radiotherapy and brachytherapy treatments as well. The preparation of a voxel simulator starts with the image acquisition by a tomograph found at COI/RJ (Clinicas Oncologicas Integradas). The images were generated with 1mm cuts and collected for analysis. After that step the images were processed in SAPDI (Sistema Automatizado de Processamento Digital de Imagem) in order to amplify the images regions intending to facilitate the task in their segmentation. SAPDI is based on parameters described by Hounsfield scale. After that, it has begun discretization of elements in IDs voxels using Scan2MCNP software - which converts images to a sequential text file containing the voxels' IDs ready to be introduced into MCNPX input; however, this set can be turned to a voxel's IDs matrix and used in other Monte Carlo codes, such as Geant4, PENELOPE and EGSnrc. Finished this step, the simulator is able to simulate with accurate geometry the physical phantom. It's possible to study a large number of cases by computational techniques of geometry's insertions of tumors and TLDs, which makes this simulator a research material useful for a lot of subjects. (author)

  9. Preparing a voxel-simulator of Alderson Rando physical phantom

    Energy Technology Data Exchange (ETDEWEB)

    Boia, Leonardo S.; Martins, Maximiano C.; Silva, Ademir X., E-mail: lboia@con.ufrj.br, E-mail: ademir@con.ufrj.br [Programa de Engenharia Nuclear (PEN/COPPE/UFRJ). Universidade Federal do Rio de Janeiro, RJ (Brazil); Salmon Junior, Helio A., E-mail: heliosalmon@coinet.com.br [COI - Clinicas Oncologicas Integradas, MD.X Barra Medical Center, Rio de Janeiro, RJ (Brazil); Soares, Alessandro F.N.S., E-mail: afacure@cnen.gov.br [Comissao Nacional de Engenharia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil)

    2011-07-01

    There are, nowadays, sorts of anthropomorphycal phantoms which are used for simulation of radiation transport by the matter and also the deposition of energy in such radiation in human tissues and organs, because an in-vitro dosimetry becomes very either complicated or even impossible in some cases. In the present work we prepared a computational phantom in voxels based on computational tomography of Rando-Alderson. This phantom is one of the most known human body simulators on the scope of ionizing radiation dosimetry, and it is used for radioprotection issues and dosimetry from radiotherapy and brachytherapy treatments as well. The preparation of a voxel simulator starts with the image acquisition by a tomograph found at COI/RJ (Clinicas Oncologicas Integradas). The images were generated with 1mm cuts and collected for analysis. After that step the images were processed in SAPDI (Sistema Automatizado de Processamento Digital de Imagem) in order to amplify the images regions intending to facilitate the task in their segmentation. SAPDI is based on parameters described by Hounsfield scale. After that, it has begun discretization of elements in IDs voxels using Scan2MCNP software - which converts images to a sequential text file containing the voxels' IDs ready to be introduced into MCNPX input; however, this set can be turned to a voxel's IDs matrix and used in other Monte Carlo codes, such as Geant4, PENELOPE and EGSnrc. Finished this step, the simulator is able to simulate with accurate geometry the physical phantom. It's possible to study a large number of cases by computational techniques of geometry's insertions of tumors and TLDs, which makes this simulator a research material useful for a lot of subjects. (author)

  10. Microelectromechanical System-Based Sensing Arrays for Comparative in Vitro Nanotoxicity Assessment at Single Cell and Small Cell-Population Using Electrochemical Impedance Spectroscopy.

    Science.gov (United States)

    Shah, Pratikkumar; Zhu, Xuena; Zhang, Xueji; He, Jin; Li, Chen-zhong

    2016-03-09

    The traditional in vitro nanotoxicity assessment approaches are conducted on a monolayer of cell culture. However, to study a cell response without interference from the neighbor cells, a single cell study is necessary; especially in cases of neuronal, cancerous, and stem cells, wherein an individual cell's fate is often not explained by the whole cell population. Nonetheless, a single cell does not mimic the actual in vivo environment and lacks important information regarding cell communication with its microenvironment. Both a single cell and a cell population provide important and complementary information about cells' behaviors. In this research, we explored nanotoxicity assessment on a single cell and a small cell population using electrochemical impedance spectroscopy and a microelectromechanical system (MEMS) device. We demonstrated a controlled capture of PC12 cells in different-sized microwells (to capture a different number of cells) using a combined method of surface functionalization and dielectrophoresis. The present approach provides a rapid nanotoxicity response as compared to other conventional approaches. This is the first study, to our knowledge, which demonstrates a comparative response of a single cell and small cell colonies on the same MEMS platform, when exposed to metaloxide nanoparticles. We demonstrated that the microenvironment of a cell is also accountable for cells' behaviors and their responses to nanomaterials. The results of this experimental study open up a new hypothesis to be tested for identifying the role of cell communication in spreading toxicity in a cell population.

  11. Intracellular dynamics and fate of polystyrene nanoparticles in A549 Lung epithelial cells monitored by image (cross-) correlation spectroscopy and single particle tracking.

    Science.gov (United States)

    Deville, Sarah; Penjweini, Rozhin; Smisdom, Nick; Notelaers, Kristof; Nelissen, Inge; Hooyberghs, Jef; Ameloot, Marcel

    2015-10-01

    Novel insights in nanoparticle (NP) uptake routes of cells, their intracellular trafficking and subcellular targeting can be obtained through the investigation of their temporal and spatial behavior. In this work, we present the application of image (cross-) correlation spectroscopy (IC(C)S) and single particle tracking (SPT) to monitor the intracellular dynamics of polystyrene (PS) NPs in the human lung carcinoma A549 cell line. The ensemble kinetic behavior of NPs inside the cell was characterized by temporal and spatiotemporal image correlation spectroscopy (TICS and STICS). Moreover, a more direct interpretation of the diffusion and flow detected in the NP motion was obtained by SPT by monitoring individual NPs. Both techniques demonstrate that the PS NP transport in A549 cells is mainly dependent on microtubule-assisted transport. By applying spatiotemporal image cross-correlation spectroscopy (STICCS), the correlated motions of NPs with the early endosomes, late endosomes and lysosomes are identified. PS NPs were equally distributed among the endolysosomal compartment during the time interval of the experiments. The cotransport of the NPs with the lysosomes is significantly larger compared to the other cell organelles. In the present study we show that the complementarity of ICS-based techniques and SPT enables a consistent elaborate model of the complex behavior of NPs inside biological systems. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. A comparative study of the laser induce breakdown spectroscopy in single- and double-pulse laser geometry

    International Nuclear Information System (INIS)

    Sun Duixiong; Su Maogen; Dong Chenzhong; Wen Guanhong; Cao Xiangnian

    2013-01-01

    A time resolved laser induced breakdown spectroscopy technique (LIBS) was used for the investigation of emission signal enhancement on double-pulse LIBS. Two Q-switched Nd:YAG lasers at 1064 nm wavelength have been employed to generate laser-induced plasma on aluminium-based alloys. The plasma emission signals were recorded by spectrometer with ICCD detector. Spectral response calibration was performed by using deuterium and tungsten halogen lamps. Time evolution of the plasma temperature and electron density was investigated in SP and DP experiments. Based on the investigation of plasma parameters, the enhancements of emission line intensities were investigated, and the mechanisms of it were discussed. (author)

  13. Catalyzed hydrogenation of nitrogen and ethylene on metal (Fe, Pt) single crystal surfaces and effects of coadsorption: A sum frequency generation vibrational spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Westerberg, Staffan Per Gustav [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    High-pressure catalytic reactions and associated processes, such as adsorption have been studied on a molecular level on single crystal surfaces. Sum Frequency Generation (SFG) vibrational spectroscopy together with Auger Electron Spectroscopy (AES), Temperature Programmed Desorption (TPD) and Gas Chromatography (GC) were used to investigate the nature of species on catalytic surfaces and to measure the catalytic reaction rates. Special attention has been directed at studying high-pressure reactions and in particular, ammonia synthesis in order to identify reaction intermediates and the influence of adsorbates on the surface during reaction conditions. The adsorption of gases N2, H2, O2 and NH3 that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH2 (~3325 cm-1) and NH (~3235 cm-1) under high pressure of ammonia (200 Torr) on the clean Fe(111) surface. Addition of 0.5 Torr of oxygen to 200 Torr of ammonia does not significantly change the bonding of dissociation intermediates to the surface. However, it leads to a phase change of nearly 180° between the resonant and non-resonant second order non-linear susceptibility of the surface, demonstrated by the reversal of the SFG spectral features. Heating the surface in the presence of 200 Torr ammonia and 0.5 Torr oxygen reduces the oxygen coverage, which can be seen from the SFG spectra as another relative phase change of 180°. The reduction of the oxide is also supported by Auger electron spectroscopy. The result suggests that the phase change of the spectral features could serve as a sensitive indicator of the chemical environment of the adsorbates.

  14. Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

    Science.gov (United States)

    Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

    2013-01-01

    In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

  15. Spatially resolved investigation of the oil composition in single intact hyphae of Mortierella spp. with micro-Raman spectroscopy.

    Science.gov (United States)

    Münchberg, Ute; Wagner, Lysett; Spielberg, Eike T; Voigt, Kerstin; Rösch, Petra; Popp, Jürgen

    2013-02-01

    Zygomycetes are well known for their ability to produce various secondary metabolites. Fungi of the genus Mortierella can accumulate highly unsaturated lipids in large amounts as lipid droplets. However, no information about the spatial distribution or homogeneity of the oil inside the fungi is obtainable to date due to the invasive and destructive analytical techniques applied so far. Raman spectroscopy has been demonstrated to be well suited to investigate biological samples on a micrometre scale. It also has been shown that the degree of unsaturation of lipids can be determined from Raman spectra. We applied micro-Raman spectroscopy to investigate the spatial distribution and composition of lipid vesicles inside intact hyphae. For Mortierella alpina and Mortierella elongata distinct differences in the degree of unsaturation and even the impact of growth conditions are determined from the Raman spectra. In both species we found that the fatty acid saturation in the vesicles is highly variable in the first 600 μm of the growing hyphal tip and fluctuates towards a constant composition and saturation ratio in all of the remaining mycelium. Our approach facilitates in vivo monitoring of the lipid production and allows us to investigate the impact of cultivation parameters on the oil composition directly in the growing hyphae without the need for extensive extraction procedures. Copyright © 2012 Elsevier B.V. All rights reserved.

  16. Comparing the Effect of Different Voxel Resolutions for Assessment of Vertical Root Fracture of Permanent Teeth

    International Nuclear Information System (INIS)

    Uzun, Ismail; Gunduz, Kaan; Celenk, Peruze; Avsever, Hakan; Orhan, Kaan; Canitezer, Gozde; Ozmen, Bilal; Cicek, Ersan; Egrioglu, Erol

    2015-01-01

    The teeth with undiagnosed vertical root fractures (VRFs) are likely to receive endodontic treatment or retreatment, leading to frustration and inappropriate endodontic therapies. Moreover, many cases of VRFs cannot be diagnosed definitively until the extraction of tooth. This study aimed to assess the use of different voxel resolutions of two different cone beam computerized tomography (CBCT) units in the detection VRFs in vitro. The study material comprised 74 extracted human mandibular single rooted premolar teeth without root fractures that had not undergone any root-canal treatment. Images were obtained by two different CBCT units. Four image sets were obtained as follows: 1) 3D Accuitomo 170, 4 × 4 cm field of view (FOV) (0.080 mm 3 ); 2) 3D Accuitomo 170. 6 × 6 cm FOV (0.125 mm 3 ); 3) NewTom 3G, 6” (0.16 mm 3 ) and 4) NewTom 3G, 9” FOV (0.25 mm 3 ). Kappa coefficients were calculated to assess both intra- and inter-observer agreements for each image set. No significant differences were found among observers or voxel sizes, with high average Z (Az) results being reported for all groups. Both intra- and inter-observer agreement values were relatively better for 3D Accuitomo 170 images than the images from NewTom 3G. The highest Az and kappa values were obtained with 3D Accuitomo 170, 4 × 4 cm FOV (0.080 mm 3 ) images. No significant differences were found among observers or voxel sizes, with high Az results reported for all groups

  17. Voxel-based plaque classification in coronary intravascular optical coherence tomography images using decision trees

    Science.gov (United States)

    Kolluru, Chaitanya; Prabhu, David; Gharaibeh, Yazan; Wu, Hao; Wilson, David L.

    2018-02-01

    Intravascular Optical Coherence Tomography (IVOCT) is a high contrast, 3D microscopic imaging technique that can be used to assess atherosclerosis and guide stent interventions. Despite its advantages, IVOCT image interpretation is challenging and time consuming with over 500 image frames generated in a single pullback volume. We have developed a method to classify voxel plaque types in IVOCT images using machine learning. To train and test the classifier, we have used our unique database of labeled cadaver vessel IVOCT images accurately registered to gold standard cryoimages. This database currently contains 300 images and is growing. Each voxel is labeled as fibrotic, lipid-rich, calcified or other. Optical attenuation, intensity and texture features were extracted for each voxel and were used to build a decision tree classifier for multi-class classification. Five-fold cross-validation across images gave accuracies of 96 % +/- 0.01 %, 90 +/- 0.02% and 90 % +/- 0.01 % for fibrotic, lipid-rich and calcified classes respectively. To rectify performance degradation seen in left out vessel specimens as opposed to left out images, we are adding data and reducing features to limit overfitting. Following spatial noise cleaning, important vascular regions were unambiguous in display. We developed displays that enable physicians to make rapid determination of calcified and lipid regions. This will inform treatment decisions such as the need for devices (e.g., atherectomy or scoring balloon in the case of calcifications) or extended stent lengths to ensure coverage of lipid regions prone to injury at the edge of a stent.

  18. Brain volumes in healthy adults aged 40 years and over: a voxel-based morphometry study.

    Science.gov (United States)

    Riello, Roberta; Sabattoli, Francesca; Beltramello, Alberto; Bonetti, Matteo; Bono, Giorgio; Falini, Andrea; Magnani, Giuseppe; Minonzio, Giorgio; Piovan, Enrico; Alaimo, Giuseppina; Ettori, Monica; Galluzzi, Samantha; Locatelli, Enrico; Noiszewska, Malgorzata; Testa, Cristina; Frisoni, Giovanni B

    2005-08-01

    Gender and age effect on brain morphology have been extensively investigated. However, the great variety in methods applied to morphology partly explain the conflicting results of linear patterns of tissue changes and lateral asymmetry in men and women. The aim of the present study was to assess the effect of age, gender and laterality on the volumes of gray matter (GM) and white matter (WM) in a large group of healthy adults by means of voxel-based morphometry. This technique, based on observer-independent algorithms, automatically segments the 3 types of tissue and computes the amount of tissue in each single voxel. Subjects were 229 healthy subjects of 40 years of age or older, who underwent magnetic resonance (MR) for reasons other than cognitive impairment. MR images were reoriented following the AC-PC line and, after removing the voxels below the cerebellum, were processed by Statistical Parametric Mapping (SPM99). GM and WM volumes were normalized for intracranial volume. Women had more fractional GM and WM volumes than men. Age was negatively correlated with both fractional GM and WM, and a gender x age interaction effect was found for WM, men having greater WM loss with advancing age. Pairwise differences between left and right GM were negative (greater GM in right hemisphere) in men, and positive (greater GM in left hemisphere) in women (-0.56+/-4.2 vs 0.99+/-4.8; p=0.019). These results support side-specific accelerated WM loss in men, and may help our better understanding of changes in regional brain structures associated with pathological aging.

  19. Corrections in clinical Magnetic Resonance Spectroscopy and SPECT

    DEFF Research Database (Denmark)

    de Nijs, Robin

    infants. In Iodine-123 SPECT the problem of downscatter was addressed. This thesis is based on two papers. Paper I deals with the problem of motion in Single Voxel Spectroscopy. Two novel methods for the identification of outliers in the set of repeated measurements were implemented and compared...... a detrimental effect of the extra-uterine environment on brain development. Paper II describes a method to correct for downscatter in low count Iodine-123 SPECT with a broad energy window above the normal imaging window. Both spatial dependency and weight factors were measured. As expected, the implicitly...... be performed by the subtraction of an energy window, a method was developed to perform scatter and downscatter correction simultaneously. A phantom study has been performed, where the in paper II described downscatter correction was extended with scatter correction. This new combined correction was compared...

  20. Analysis of the brain proton magnetic resonance spectroscopy - differences between normal grey and white matter

    International Nuclear Information System (INIS)

    Krukowski, P.; Podgorski, P.; Guzinski, M.; Szewczyk, P.; Sasiadek, M.

    2010-01-01

    Background: The proton magnetic resonance spectroscopy (HMRS) is a non-invasive diagnostic method that allows for an assessment of the metabolite concentration in tissues. The sources of the strongest resonance signals within the brain are N-acetylaspartate (NAA), creatine (Cr), choline (Cho), myoinositol (mI) and water. The aim of our study was to analyse the ratios of metabolite signals within the brain in HMRS in the healthy population, to define the differences between the grey and white matter spectra. Material/Methods: We studied prospectively 90 subjects aged from 8 to 80 years (mean 43.3 years, SD=17.9), without neurological symptoms or abnormalities in magnetic resonance imaging. In all patients, brain HMRS with Signa HDx 1.5 T MR unit (GE Healthcare) was performed with PRESS sequence, using a single voxel method, at TE of 35 ms and TR of 1500 ms. Spectroscopic evaluation involved voxels placed in the white matter of parietal lobe (PWM) and the grey matter of posterior cingulate gyrus (PGM). On the basis of the intensity of NAA, Cr, Cho, mI and water signals, the proportions of these signals were calculated, as well as the ratio of the analyzed metabolite signal to the sum of signals of NAA, Cho, Cr and mI (%Met) in the PGM and PWM voxels. We compared the proportions in the same patients in PGM and PWM voxels. Results: There has been a statistically significant difference between the proportions of a majority of the metabolite ratios evaluated in PGM and PWM, indicating the higher concentration of NAA, Cr and mI in grey matter, and higher concentration of Cho in white matter. Conclusions: HMRS spectra of the brain grey and white matter differ significantly. The concentrations of NAA, Cr and mI are higher in grey matter, while of choline - in the white matter. (authors)

  1. Study of the phase transformation of single particles of Ga2O3 by UV-Raman spectroscopy and high-resolution TEM.

    Science.gov (United States)

    Wang, Xiang; Xu, Qian; Fan, Fengtao; Wang, Xiuli; Li, Mingrun; Feng, Zhaochi; Li, Can

    2013-09-01

    By taking advantage of UV-Raman spectroscopy and high-resolution TEM (HRTEM), combined with the focused ion beam (FIB) technique, the transformation from GaOOH into α-Ga2O3 and then into β-Ga2O3 was followed. We found that the stepwise transformations took place from the surface region before developing into the bulk of single particles without particle agglomeration and growth. During the transformation from GaOOH into α-Ga2O3, the elimination of water vapor through the dehydroxylation of GaOOH resulted in the formation of micropores in the single particles, whilst maintaining their particle size. For the phase transformation from α-Ga2O3 into β-Ga2O3, the nucleation of β-Ga2O3 was found to occur at the surface defects and this process could be retarded by occupying these defects with a small amount of La2O3. By finely controlling the process of the phase transformation, the β-Ga2O3 domains gradually developed from the surface into the bulk of the single particles without particle agglomeration. Therefore, the surface structure of the α-Ga2O3 single particles can be easily tuned and a particle with an α@β core-shell phase structure has been obtained. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Electrically continuous graphene from single crystal copper verified by terahertz conductance spectroscopy and micro four-point probe

    DEFF Research Database (Denmark)

    Buron, Jonas Christian Due; Pizzocchero, Filippo; Jessen, Bjarke Sørensen

    2014-01-01

    The electrical performance of graphene synthesized by chemical vapor deposition and transferred to insulating surfaces may be compromised by extended defects, including for instance grain boundaries, cracks, wrinkles, and tears. In this study, we experimentally investigate and compare the nano......- and microscale electrical continuity of single layer graphene grown on centimeter-sized single crystal copper with that of previously studied graphene films, grown on commercially available copper foil, after transfer to SiO2 surfaces. The electrical continuity of the graphene films is analyzed using two...... for measurement of the complex conductance response in the frequency range 1-15 terahertz, covering the entire intraband conductance spectrum, and reveals that the conductance response for the graphene grown on single crystalline copper intimately follows the Drude model for a barrier-free conductor. In contrast...

  3. A study on identification of bacteria in environmental samples using single-cell Raman spectroscopy: feasibility and reference libraries.

    Science.gov (United States)

    Baritaux, Jean-Charles; Simon, Anne-Catherine; Schultz, Emmanuelle; Emain, C; Laurent, P; Dinten, Jean-Marc

    2016-05-01

    We report on our recent efforts towards identifying bacteria in environmental samples by means of Raman spectroscopy. We established a database of Raman spectra from bacteria submitted to various environmental conditions. This dataset was used to verify that Raman typing is possible from measurements performed in non-ideal conditions. Starting from the same dataset, we then varied the phenotype and matrix diversity content included in the reference library used to train the statistical model. The results show that it is possible to obtain models with an extended coverage of spectral variabilities, compared to environment-specific models trained on spectra from a restricted set of conditions. Broad coverage models are desirable for environmental samples since the exact conditions of the bacteria cannot be controlled.

  4. Phonon spectrum of single-crystalline FeSe probed by high-resolution electron energy-loss spectroscopy

    Science.gov (United States)

    Zakeri, Khalil; Engelhardt, Tobias; Le Tacon, Matthieu; Wolf, Thomas

    2018-06-01

    Utilizing high-resolution electron energy-loss spectroscopy (HREELS) we measure the phonon frequencies of β-FeSe(001), cleaved under ultra-high vacuum conditions. At the zone center (Γ bar-point) three prominent loss features are observed at loss energies of about ≃ 20.5 and 25.6 and 40 meV. Based on the scattering selection rules we assign the observed loss features to the A1g, B1g, and A2u phonon modes of β-FeSe(001). The experimentally measured phonon frequencies do not agree with the results of density functional based calculations in which a nonmagnetic, a checkerboard or a strip antiferromagnetic order is assumed for β-FeSe(001). Our measurements suggest that, similar to the other Fe-based materials, magnetism has a profound impact on the lattice dynamics of β-FeSe(001).

  5. Unoccupied electronic state of delafossite-type PdCoO2 single crystal probed using inverse photoemission spectroscopy

    International Nuclear Information System (INIS)

    Higuchi, Tohru; Tsukamoto, Takeyo; Hasegawa, Masashi; Tanaka, Masayuki; Takei, Humihiko; Shin, Shik

    2004-01-01

    The unoccupied electronic state of delafossite-type PdCoO 2 has been studied using inverse-photoemission spectroscopy (IPES). The Fermi edge and the unoccupied density-of-state (DOS) at the Fermi level (E F ) are not observed in the IPES spectrum measured at the incidence electron energy (E K ) of 100 eV, which corresponds to the Cooper minimum of Pd 4d. The finite DOS at E F is observed in the IPES spectra measured at the lower E K , which the ionization cross section of Pd 4d increases. These findings indicate that the Pd 4d electron is closely related to the low electrical resistivity of PdCoO 2 . (author)

  6. Forensic Sampling and Analysis from a Single Substrate: Surface-Enhanced Raman Spectroscopy Followed by Paper Spray Mass Spectrometry.

    Science.gov (United States)

    Fedick, Patrick W; Bills, Brandon J; Manicke, Nicholas E; Cooks, R Graham

    2017-10-17

    Sample preparation is the most common bottleneck in the analysis and processing of forensic evidence. Time-consuming steps in many forensic tests involve complex separations, such as liquid and gas chromatography or various types of extraction techniques, typically coupled with mass spectrometry (e.g., LC-MS). Ambient ionization ameliorates these slow steps by reducing or even eliminating sample preparation. While some ambient ionization techniques have been adopted by the forensic community, there is significant resistance to discarding chromatography as most forensic analyses require both an identification and a confirmation technique. Here, we describe the use of a paper substrate, the surface of which has been inkjet printed with silver nanoparticles, for surface enhanced Raman spectroscopy (SERS). The same substrate can also act as the paper substrate for paper spray mass spectrometry. The coupling of SERS and paper spray ionization creates a quick, forensically feasible combination.

  7. [Voxel-Based Morphometry in Autism Spectrum Disorder].

    Science.gov (United States)

    Yamasue, Hidenori

    2017-05-01

    Autism spectrum disorder shows deficits in social communication and interaction including nonverbal communicative behaviors (e.g., eye contact, gestures, voice prosody, and facial expressions) and restricted and repetitive behaviors as its core symptoms. These core symptoms are emerged as an atypical behavioral development in toddlers with the disorder. Atypical neural development is considered to be a neural underpinning of such behaviorally atypical development. A number of studies using voxel-based morphometry have already been conducted to compare regional brain volumes between individuals with autism spectrum disorder and those with typical development. Furthermore, more than ten papers employing meta-analyses of the comparisons using voxel based morphometry between individuals with autism spectrum disorder and those with typical development have already been published. The current review paper adds some brief discussions about potential factors contributing to the inconsistency observed in the previous findings such as difficulty in controlling the confounding effects of different developmental phases among study participants.

  8. Growth Rate and Morphology of a Single Calcium Carbonate Crystal on Polysulfone Film Measured with Time Lapse Raman Micro Spectroscopy

    NARCIS (Netherlands)

    Liszka, B.; Lenferink, Aufrid T.M.; Otto, Cornelis

    2016-01-01

    The growth of single, self- nucleated calcium carbonate crystals on a polysulfone (PSU) film was investigated with high resolution, time lapse Raman imaging. The Raman images were acquired on the interface of the polymer with the crystal. The growth of crystals could thus be followed in time. PSU is

  9. Photon emission statistics and photon tracking in single-molecule spectroscopy of molecular aggregates : Dimers and trimers

    NARCIS (Netherlands)

    Bloemsma, E. A.; Knoester, J.

    2012-01-01

    Based on the generating function formalism, we investigate broadband photon statistics of emission for single dimers and trimers driven by a continuous monochromatic laser field. In particular, we study the first and second moments of the emission statistics, which are the fluorescence excitation

  10. Harmonic Force Spectroscopy Reveals a Force-Velocity Curve from a Single Human Beta Cardiac Myosin Motor

    DEFF Research Database (Denmark)

    Sung, Jongmin; Nag, Suman; Vestergaard, Christian L.

    2014-01-01

    human beta cardiac myosin S1. We also compare load-velocity curves for wild-type motors with load-velocity curves of mutant forms that cause hypertrophic or dilated-cardiomyopathy (HCM or DCM), in order to understand the effects of mutations on the contractile cycle at the single molecule level....

  11. Photoinduced electron-transfer in perylenediimide triphenylamine-based dendrimers : single photon timing and femtosecond transient absorption spectroscopy

    NARCIS (Netherlands)

    Fron, Eduard; Pilot, Roberto; Schweitzer, Gerd; Qu, Jianqiang; Herrmann, Andreas; Müllen, Klaus; Hofkens, Johan; Auweraer, Mark Van der; Schryver, Frans C. De

    2008-01-01

    The excited state dynamics of two generations perylenediimide chromophores substituted in the bay area with dendritic branches bearing triphenylamine units as well as those of the respective reference compounds are investigated. Using single photon timing and multi-pulse femtosecond transient

  12. Measurement and statistical analysis of single-molecule current-voltage characteristics, transition voltage spectroscopy, and tunneling barrier height.

    Science.gov (United States)

    Guo, Shaoyin; Hihath, Joshua; Díez-Pérez, Ismael; Tao, Nongjian

    2011-11-30

    We report on the measurement and statistical study of thousands of current-voltage characteristics and transition voltage spectra (TVS) of single-molecule junctions with different contact geometries that are rapidly acquired using a new break junction method at room temperature. This capability allows one to obtain current-voltage, conductance voltage, and transition voltage histograms, thus adding a new dimension to the previous conductance histogram analysis at a fixed low-bias voltage for single molecules. This method confirms the low-bias conductance values of alkanedithiols and biphenyldithiol reported in literature. However, at high biases the current shows large nonlinearity and asymmetry, and TVS allows for the determination of a critically important parameter, the tunneling barrier height or energy level alignment between the molecule and the electrodes of single-molecule junctions. The energy level alignment is found to depend on the molecule and also on the contact geometry, revealing the role of contact geometry in both the contact resistance and energy level alignment of a molecular junction. Detailed statistical analysis further reveals that, despite the dependence of the energy level alignment on contact geometry, the variation in single-molecule conductance is primarily due to contact resistance rather than variations in the energy level alignment.

  13. Untangling reaction pathways through modern approaches to high-throughput single-molecule force-spectroscopy experiments

    NARCIS (Netherlands)

    Dulin, D.; Berghuis, B.A.; Depken, S.M.; Dekker, N.H.

    2015-01-01

    Single-molecule experiments provide a unique means for real-time observation of the activity of individual biomolecular machines. Through such techniques, insights into the mechanics of for example, polymerases, helicases, and packaging motors have been gleaned. Here we describe the recent advances

  14. Rapid Assemblers for Voxel-Based VLSI Robotics

    Science.gov (United States)

    2014-02-12

    flux vector given by the Nernst -Planck equation ( equation ), where the partial derivative of the concentration of ions with respect to time plus the...species i given by the Nernst -Einstein equation . The boundary conditions are that the diffusive and convective contribu- tions to the flux are zero at...dependent partial differential equations . SIAM Journal of Numerical Analysis, 32(3):797-823, 1995. Task 2: cm-scale voxels for prototypes Task

  15. Analysis of multiplex gene expression maps obtained by voxelation

    OpenAIRE

    An, L; Xie, H; Chin, MH; Obradovic, Z; Smith, DJ; Megalooikonomou, V

    2009-01-01

    Abstract Background Gene expression signatures in the mammalian brain hold the key to understanding neural development and neurological disease. Researchers have previously used voxelation in combination with microarrays for acquisition of genome-wide atlases of expression patterns in the mouse brain. On the other hand, some work has been performed on studying gene functions, without taking into account the location information of a gene's expression in a mouse brain. In this paper, we presen...

  16. Reconstruction of segmented human voxel phantoms for skin dosimetry

    International Nuclear Information System (INIS)

    Antunes, Paula C.G.; Siqueira, Paulo de Tarso D.; Yoriyaz, Helio; Fonseca, Gabriel P.; Reis, Gabriela; Furnari, Laura

    2009-01-01

    High-resolution medical images along with methods that simulate the interaction of radiation with matter, as the Monte Carlo radiation transport codes, have been widely used in medical physics procedures. These images provide the construction of realistic anatomical models, which after being coupled to these codes, may drive to better assessments of dose distributions on the patient. These anatomical models constructed from medical images are known as voxel phantoms (voxel - volume element of an image). Present day regular images are unsuitable to correctly perform skin dose distribution evaluations. This inability is due to improper skin discrimination in most of the current medical images, once its thickness stands below the resolution of the pixels that form the image. This paper proposes the voxel phantom reconstruction by subdividing and segmenting the elements that form the phantom. It is done in order to better discriminate the skin by assigning it more adequate thickness and actual location, allowing a better dosimetric evaluation of the skin. This task is an important issue in many radiotherapy procedures. Particular interest lays in Total Skin Irradiation (TSI) with electron beams, where skin dose evaluation stands as the treatment key point of the whole body irradiation. This radiotherapy procedure is under implementation at the Hospital das Clinicas da Universidade de Sao Paulo (HC-USP). (author)

  17. Repeated intravenous administration of gadobutrol does not lead to increased signal intensity on unenhanced T1-weighted images - a voxel-based whole brain analysis

    Energy Technology Data Exchange (ETDEWEB)

    Langner, Soenke; Kromrey, Marie-Luise [University Medicine Greifswald, Institute of Diagnostic Radiology and Neuroradiology, Greifswald (Germany); Kuehn, Jens-Peter [University Medicine Greifswald, Institute of Diagnostic Radiology and Neuroradiology, Greifswald (Germany); University Hospital, Carl Gustav Carus University Dresden, Institute for Radiology, Dresden (Germany); Grothe, Matthias [University Medicine Greifswald, Department of Neurology, Greifswald (Germany); Domin, Martin [University Medicine Greifswald, Functional Imaging Unit, Institute of Diagnostic Radiology and Neuroradiology, Greifswald (Germany)

    2017-09-15

    To identify a possible association between repeated intravenous administration of gadobutrol and increased signal intensity in the grey and white matter using voxel-based whole-brain analysis. In this retrospective single-centre study, 217 patients with a clinically isolated syndrome underwent baseline brain magnetic resonance imaging and at least one annual follow-up examination with intravenous administration of 0.1 mmol/kg body weight of gadobutrol. Using the ''Diffeomorphic Anatomical Registration using Exponentiated Lie algebra'' (DARTEL) normalisation process, tissue templates for grey matter (GM), white matter (WM), and cerebrospinal fluid (CSF) were calculated, as were GM-CSF and WM-CSF ratios. Voxel-based whole-brain analysis was used to calculate the signal intensity for each voxel in each data set. Paired t-test was applied to test differences to baseline MRI for significance. Voxel-based whole-brain analysis demonstrated no significant changes in signal intensity of grey and white matter after up to five gadobutrol administrations. There was no significant change in GM-CSF and grey WM-CSF ratios. Voxel-based whole-brain analysis did not demonstrate increased signal intensity of GM and WM on unenhanced T1-weighted images after repeated gadobutrol administration. The molecular structure of gadolinium-based contrast agent preparations may be an essential factor causing SI increase on unenhanced T1-weighted images. (orig.)

  18. Intracellular formation of α-synuclein oligomers and the effect of heat shock protein 70 characterized by confocal single particle spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Levin, Johannes [Department of Neurology, Ludwig-Maximilians-University, Marchioninistr. 15, 81377 Munich (Germany); German Center for Neurodegenerative Diseases – DZNE, Site Munich, Feodor-Lynen-Str. 17, 81377 Munich (Germany); Hillmer, Andreas S. [Center for Neuropathology and Prion Research, Ludwig-Maximilians-University, Feodor-Lynen-Str. 23, 81377 Munich (Germany); Högen, Tobias [Department of Neurology, Ludwig-Maximilians-University, Marchioninistr. 15, 81377 Munich (Germany); McLean, Pamela J. [Department of Neuroscience, Mayo Clinic, Jacksonville, FL 32224 (United States); Giese, Armin, E-mail: armin.giese@med.uni-muenchen.de [Center for Neuropathology and Prion Research, Ludwig-Maximilians-University, Feodor-Lynen-Str. 23, 81377 Munich (Germany)

    2016-08-12

    Synucleinopathies such as dementia with Lewy bodies or Parkinson’s disease are characterized by intracellular deposition of pathologically aggregated α-synuclein. The details of the molecular pathogenesis of PD and especially the conditions that lead to intracellular aggregation of α-synuclein and the role of these aggregates in cell death remain unknown. In cell free in vitro systems considerable knowledge about the aggregation processes has been gathered. In comparison, the knowledge about these aggregation processes in cells is far behind. In cells α-synuclein aggregates can be toxic. However, the crucial particle species responsible for decisive steps in pathogenesis such as seeding a continuing aggregation process and triggering cell death remain to be identified. In order to understand the complex nature of intracellular α-synuclein aggregate formation, we analyzed fluorescent particles formed by venus and α-synuclein-venus fusion proteins and α-synuclein-hemi-venus fusion proteins derived from gently lyzed cells. With these techniques we were able to identify and characterize α-synuclein oligomers formed in cells. Especially the use of α-synuclein-hemi-venus fusion proteins enabled us to identify very small α-synuclein oligomers with high sensitivity. Furthermore, we were able to study the molecular effect of heat shock protein 70, which is known to inhibit α-synuclein aggregation in cells. Heat shock protein 70 does not only influence the size of α-synuclein oligomers, but also their quantity. In summary, this approach based on fluorescence single particle spectroscopy, that is suited for high throughput measurements, can be used to detect and characterize intracellularly formed α-synuclein aggregates and characterize the effect of molecules that interfere with α-synuclein aggregate formation. - Highlights: • Single particle spectroscopy detects intracellular formed α-synuclein aggregates. • Fusion proteins allow detection of protein

  19. Single-dot Spectroscopy of GaAs Quantum Dots Fabricated by Filling of Self-assembled Nanoholes

    Directory of Open Access Journals (Sweden)

    Heyn Ch

    2010-01-01

    Full Text Available Abstract We study the optical emission of single GaAs quantum dots (QDs. The QDs are fabricated by filling of nanoholes in AlGaAs and AlAs which are generated in a self-assembled fashion by local droplet etching with Al droplets. Using suitable process parameters, we create either uniform QDs in partially filled deep holes or QDs with very broad size distribution in completely filled shallow holes. Micro photoluminescence measurements of single QDs of both types establish sharp excitonic peaks. We measure a fine-structure splitting in the range of 22–40μeV and no dependence on QD size. Furthermore, we find a decrease in exciton–biexciton splitting with increasing QD size.

  20. Photo-induced reorganization of molecular packing of amphi-PIC J-aggregates (single J-aggregate spectroscopy)

    International Nuclear Information System (INIS)

    Malyukin, Yu.V.; Sorokin, A.V.; Yefimova, S.L.; Lebedenko, A.N.

    2005-01-01

    Confocal luminescence microscopy has been used to excite and collect luminescence from single amphi-PIC J-aggregate. Two types of J-aggregates have been revealed in the luminescence image: bead-like J-aggregates, which diameter is less than 1 μm and rod-like ones, which length is about 3 μm and diameter is less than 1 μm. It has been found that single rod-like and bead-like J-aggregates exhibit different luminescence bands with different decay parameters. At the off-resonance blue tail excitation, the J-aggregate exciton luminescence disappeared within a certain time period and a new band appeared, which cannot be attributed to the monomer emission. The luminescence image shows that the J-aggregate is not destroyed. However, J-aggregate storage in darkness does not recover its exciton luminescence

  1. Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time Resolved Spectroscopy

    KAUST Repository

    Maity, Partha

    2018-04-02

    Understanding of the fundamentals behind charge carriers of photo-catalytic materials are still illusive hindering progress in our quest for renewable energy. TiO2 anatase and rutile are the most understood phases in photo-catalysis and serve as the best model for fundamental studies. Their ultrafast charge carrier dynamics especially on TiO2 anatase single crystal (the most active phase) are unresolved. Here femtosecond time resolved spectroscopy (TRS) was carried out to explore the dynamics of photo-excited charge carriers’ recombination in anatase single crystal, for the first time using pump fluence effects, and compares it to that of the rutile single crystal. A significant difference in charge carrier recombination rates between both crystals is observed. We found that the time constants for carrier recombination are two orders of magnitude slower for anatase (101) when compared to those of rutile (110). Moreover, bulk defects introduced by reduction of the samples via annealing in ultra-high vacuum resulted in faster recombination rates for both polymorphs. Both states (fresh and reduced) probed by pump fluence dependence measurements revealed that the major recombination channel in fresh and reduced anatase and reduced rutile is the first-order Shockley–Reed mediated. However, for fresh rutile, third-body Auger recombination was observed, attributed to the presence of higher density of intrinsic charge carriers. At all excitation wavelengths and fluence investigated, anatase (101) single crystal show longer charge carrier lifetime when compared to rutile (110) single. This may explain the superiority of the anatase phase for the electron transfer H+ reduction to molecular hydrogen.

  2. Monte Carlo study of voxel S factor dependence on tissue density and atomic composition

    Energy Technology Data Exchange (ETDEWEB)

    Amato, Ernesto, E-mail: eamato@unime.it [University of Messina, Department of Biomedical Sciences and of Morphologic and Functional Imaging, Section of Radiological Sciences, via Consolare Valeria, 1, I-98125 Messina (Italy); Italiano, Antonio [INFN – Istituto Nazionale di Fisica Nucleare, Gruppo Collegato di Messina (Italy); Baldari, Sergio [University of Messina, Department of Biomedical Sciences and of Morphologic and Functional Imaging, Section of Radiological Sciences, via Consolare Valeria, 1, I-98125 Messina (Italy)

    2013-11-21

    Voxel dosimetry is a common approach to the internal dosimetry of non-uniform activity distributions in nuclear medicine therapies with radiopharmaceuticals and in the estimation of the radiation hazard due to internal contamination of radionuclides. Aim of the present work is to extend our analytical approach for the calculation of voxel S factors to materials different from the soft tissue. We used a Monte Carlo simulation in GEANT4 of a voxelized region of each material in which the source of monoenergetic electrons or photons was uniformly distributed within the central voxel, and the energy deposition was scored over the surrounding 11×11×11 voxels. Voxel S factors were obtained for the following standard ICRP materials: Adipose tissue, Bone cortical, Brain, Lung, Muscle skeletal and Tissue soft with 1 g cm{sup −3} density. Moreover, we considered the standard ICRU materials: Bone compact and Muscle striated. Voxel S factors were represented as a function of the “normalized radius”, defined as the ratio between the source–target voxel distance and the voxel side. We found that voxel S factors and related analytical fit functions are mainly affected by the tissue density, while the material composition gives only a slight contribution to the difference between data series, which is negligible for practical purposes. Our results can help in broadening the dosimetric three-dimensional approach based on voxel S factors to other tissues where diagnostic and therapeutic radionuclides can be taken up and radiation can propagate.

  3. Monte Carlo study of voxel S factor dependence on tissue density and atomic composition

    International Nuclear Information System (INIS)

    Amato, Ernesto; Italiano, Antonio; Baldari, Sergio

    2013-01-01

    Voxel dosimetry is a common approach to the internal dosimetry of non-uniform activity distributions in nuclear medicine therapies with radiopharmaceuticals and in the estimation of the radiation hazard due to internal contamination of radionuclides. Aim of the present work is to extend our analytical approach for the calculation of voxel S factors to materials different from the soft tissue. We used a Monte Carlo simulation in GEANT4 of a voxelized region of each material in which the source of monoenergetic electrons or photons was uniformly distributed within the central voxel, and the energy deposition was scored over the surrounding 11×11×11 voxels. Voxel S factors were obtained for the following standard ICRP materials: Adipose tissue, Bone cortical, Brain, Lung, Muscle skeletal and Tissue soft with 1 g cm −3 density. Moreover, we considered the standard ICRU materials: Bone compact and Muscle striated. Voxel S factors were represented as a function of the “normalized radius”, defined as the ratio between the source–target voxel distance and the voxel side. We found that voxel S factors and related analytical fit functions are mainly affected by the tissue density, while the material composition gives only a slight contribution to the difference between data series, which is negligible for practical purposes. Our results can help in broadening the dosimetric three-dimensional approach based on voxel S factors to other tissues where diagnostic and therapeutic radionuclides can be taken up and radiation can propagate

  4. Multispecies breath analysis faster than a single respiratory cycle by optical-feedback cavity-enhanced absorption spectroscopy

    Science.gov (United States)

    Ventrillard-Courtillot, Irene; Gonthiez, Thierry; Clerici, Christine; Romanini, Daniel

    2009-11-01

    We demonstrate a first application, of optical-feedback cavity-enhanced absorption spectroscopy (OF-CEAS) to breath analysis in a medical environment. Noninvasive monitoring of trace species in exhaled air was performed simultaneous to spirometric measurements on patients at Bichat Hospital (Paris). The high selectivity of the OF-CEAS spectrometer and a time response of 0.3 s (limited by sample flow rate) allowed following the evolution of carbon monoxide and methane concentrations during individual respiratory cycles, and resolving variations among different ventilatory patterns. The minimum detectable absorption on this time scale is about 3×10-10 cm-1. At the working wavelength of the instrument (2.326 μm), this translates to concentration detection limits of ~1 ppbv (45 picomolar, or ~1.25 μg/m3) for CO and 25 ppbv for CH4, well below concentration values found in exhaled air. This same instrument is also able to provide measurement of NH3 concentrations with a detection limit of ~10 ppbv however, at present, memory effects do not allow its measurement on fast time scales.

  5. Growth dynamics of L-cysteine SAMs on single-crystal gold surfaces: a metastable deexcitation spectroscopy study

    Science.gov (United States)

    Canepa, M.; Lavagnino, L.; Pasquali, L.; Moroni, R.; Bisio, F.; DeRenzi, V.; Terreni, S.; Mattera, L.

    2009-07-01

    We report on a metastable deexcitation spectroscopy investigation of the growth of L-cysteine layers deposited under UHV conditions on well-defined Au(110)- (1 × 2) and Au(111) surfaces. The interaction of He* with molecular orbitals gave rise to well-defined UPS-like Penning spectra which provided information on the SAM assembly dynamics and adsorption configurations. Penning spectra have been interpreted through comparison with molecular orbital DFT calculations of the free molecule and have been compared with XPS results of previous works. Regarding adsorption of first-layer molecules at room temperature (RT), two different growth regimes were observed. On Au(110), the absence of spectral features related to orbitals associated with SH groups indicated the formation of a compact SAM of thiolate molecules. On Au(111), the data demonstrated the simultaneous presence, since the early stages of growth, of strongly and weakly bound molecules, the latter showing intact SH groups. The different growth mode was tentatively assigned to the added rows of the reconstructed Au(110) surface which behave as extended defects effectively promoting the formation of the S-Au bond. The growth of the second molecular layer was instead observed to proceed similarly for both substrates. Second-layer molecules preferably adopt an adsorption configuration in which the SH group protrudes into the vacuum side.

  6. Growth dynamics of L-cysteine SAMs on single-crystal gold surfaces: a metastable deexcitation spectroscopy study

    International Nuclear Information System (INIS)

    Canepa, M; Lavagnino, L; Moroni, R; Bisio, F; Terreni, S; Mattera, L; Pasquali, L; De Renzi, V

    2009-01-01

    We report on a metastable deexcitation spectroscopy investigation of the growth of L-cysteine layers deposited under UHV conditions on well-defined Au(110)- (1 x 2) and Au(111) surfaces. The interaction of He* with molecular orbitals gave rise to well-defined UPS-like Penning spectra which provided information on the SAM assembly dynamics and adsorption configurations. Penning spectra have been interpreted through comparison with molecular orbital DFT calculations of the free molecule and have been compared with XPS results of previous works. Regarding adsorption of first-layer molecules at room temperature (RT), two different growth regimes were observed. On Au(110), the absence of spectral features related to orbitals associated with SH groups indicated the formation of a compact SAM of thiolate molecules. On Au(111), the data demonstrated the simultaneous presence, since the early stages of growth, of strongly and weakly bound molecules, the latter showing intact SH groups. The different growth mode was tentatively assigned to the added rows of the reconstructed Au(110) surface which behave as extended defects effectively promoting the formation of the S-Au bond. The growth of the second molecular layer was instead observed to proceed similarly for both substrates. Second-layer molecules preferably adopt an adsorption configuration in which the SH group protrudes into the vacuum side.

  7. A voxel visualization and analysis system based on AutoCAD

    Science.gov (United States)

    Marschallinger, Robert

    1996-05-01

    A collection of AutoLISP programs is presented which enable the visualization and analysis of voxel models by AutoCAD rel. 12/rel. 13. The programs serve as an interactive, graphical front end for manipulating the results of three-dimensional modeling software producing block estimation data. ASCII data files describing geometry and attributes per estimation block are imported and stored as a voxel array. Each voxel may contain multiple attributes, therefore different parameters may be incorporated in one voxel array. Voxel classification is implemented on a layer basis providing flexible treatment of voxel classes such as recoloring, peeling, or volumetry. A versatile clipping tool enables slicing voxel arrays according to combinations of three perpendicular clipping planes. The programs feature an up-to-date, graphical user interface for user-friendly operation by non AutoCAD specialists.

  8. CdTe Timepix detectors for single-photon spectroscopy and linear polarimetry of high-flux hard x-ray radiation.

    Science.gov (United States)

    Hahn, C; Weber, G; Märtin, R; Höfer, S; Kämpfer, T; Stöhlker, Th

    2016-04-01

    Single-photon spectroscopy of pulsed, high-intensity sources of hard X-rays - such as laser-generated plasmas - is often hampered by the pileup of several photons absorbed by the unsegmented, large-volume sensors routinely used for the detection of high-energy radiation. Detectors based on the Timepix chip, with a segmentation pitch of 55 μm and the possibility to be equipped with high-Z sensor chips, constitute an attractive alternative to commonly used passive solutions such as image plates. In this report, we present energy calibration and characterization measurements of such devices. The achievable energy resolution is comparable to that of scintillators for γ spectroscopy. Moreover, we also introduce a simple two-detector Compton polarimeter setup with a polarimeter quality of (98 ± 1)%. Finally, a proof-of-principle polarimetry experiment is discussed, where we studied the linear polarization of bremsstrahlung emitted by a laser-driven plasma and found an indication of the X-ray polarization direction depending on the polarization state of the incident laser pulse.

  9. Single-Kernel FT-NIR Spectroscopy for Detecting Supersweet Corn (Zea mays L. Saccharata Sturt Seed Viability with Multivariate Data Analysis

    Directory of Open Access Journals (Sweden)

    Guangjun Qiu

    2018-03-01

    Full Text Available The viability and vigor of crop seeds are crucial indicators for evaluating seed quality, and high-quality seeds can increase agricultural yield. The conventional methods for assessing seed viability are time consuming, destructive, and labor intensive. Therefore, a rapid and nondestructive technique for testing seed viability has great potential benefits for agriculture. In this study, single-kernel Fourier transform near-infrared (FT-NIR spectroscopy with a wavelength range of 1000–2500 nm was used to distinguish viable and nonviable supersweet corn seeds. Various preprocessing algorithms coupled with partial least squares discriminant analysis (PLS-DA were implemented to test the performance of classification models. The FT-NIR spectroscopy technique successfully differentiated viable seeds from seeds that were nonviable due to overheating or artificial aging. Correct classification rates for both heat-damaged kernels and artificially aged kernels reached 98.0%. The comprehensive model could also attain an accuracy of 98.7% when combining heat-damaged samples and artificially aged samples into one category. Overall, the FT-NIR technique with multivariate data analysis methods showed great potential capacity in rapidly and nondestructively detecting seed viability in supersweet corn.

  10. Mode-Locked Multichromatic X-Rays in a Seeded Free-Electron Laser for Single-Shot X-Ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Dao; Ding, Yuantao; Raubenheimer, Tor; Wu, Juhao; /SLAC

    2012-05-10

    We present the promise of generating gigawatt mode-locked multichromatic x rays in a seeded free-electron laser (FEL). We show that, by using a laser to imprint periodic modulation in electron beam phase space, a single-frequency coherent seed can be amplified and further translated to a mode-locked multichromatic output in an FEL. With this configuration the FEL output consists of a train of mode-locked ultrashort pulses which span a wide frequency gap with a series of equally spaced sharp lines. These gigawatt multichromatic x rays may potentially allow one to explore the structure and dynamics of a large number of atomic states simultaneously. The feasibility of generating mode-locked x rays ranging from carbon K edge ({approx}284 eV) to copper L{sub 3} edge ({approx}931 eV) is confirmed with numerical simulation using the realistic parameters of the linac coherent light source (LCLS) and LCLS-II. We anticipate that the mode-locked multichromatic x rays in FELs may open up new opportunities in x-ray spectroscopy (i.e. resonant inelastic x-ray scattering, time-resolved scattering and spectroscopy, etc.).

  11. Single-Kernel FT-NIR Spectroscopy for Detecting Supersweet Corn (Zea mays L. Saccharata Sturt) Seed Viability with Multivariate Data Analysis.

    Science.gov (United States)

    Qiu, Guangjun; Lü, Enli; Lu, Huazhong; Xu, Sai; Zeng, Fanguo; Shui, Qin

    2018-03-28

    The viability and vigor of crop seeds are crucial indicators for evaluating seed quality, and high-quality seeds can increase agricultural yield. The conventional methods for assessing seed viability are time consuming, destructive, and labor intensive. Therefore, a rapid and nondestructive technique for testing seed viability has great potential benefits for agriculture. In this study, single-kernel Fourier transform near-infrared (FT-NIR) spectroscopy with a wavelength range of 1000-2500 nm was used to distinguish viable and nonviable supersweet corn seeds. Various preprocessing algorithms coupled with partial least squares discriminant analysis (PLS-DA) were implemented to test the performance of classification models. The FT-NIR spectroscopy technique successfully differentiated viable seeds from seeds that were nonviable due to overheating or artificial aging. Correct classification rates for both heat-damaged kernels and artificially aged kernels reached 98.0%. The comprehensive model could also attain an accuracy of 98.7% when combining heat-damaged samples and artificially aged samples into one category. Overall, the FT-NIR technique with multivariate data analysis methods showed great potential capacity in rapidly and nondestructively detecting seed viability in supersweet corn.

  12. A multi-channel THz and infrared spectrometer for femtosecond electron bunch diagnostics by single-shot spectroscopy of coherent radiation

    Energy Technology Data Exchange (ETDEWEB)

    Wesch, Stephan; Schmidt, Bernhard; Behrens, Christopher; Delsim-Hashemi, Hossein; Schmueser, Peter

    2011-08-15

    The high peak current required in free-electron lasers (FELs) is realized by longitudinal compression of the electron bunches to sub-picosecond length. In this paper, a frequency-domain diagnostic method is described that is capable of resolving structures in the femtosecond regime. A novel in-vacuum spectrometer has been developed for spectroscopy of coherent radiation in the THz and infrared range. The spectrometer is equipped with five consecutive dispersion gratings and 120 parallel readout channels; it can be operated either in short wavelength mode (5-44 {mu}m) or in long wavelength mode (45-430 {mu}m). Fast parallel readout permits the spectroscopy of coherent radiation from single electron bunches. Test measurements at the soft X-ray free-electron laser FLASH, using coherent transition radiation, demonstrate excellent performance of the spectrometer. The high sensitivity down to a few micrometers allows study of short bunch features caused for example by microbunching e ects in magnetic chicanes. The device is planned for use as an online bunch profile monitor during regular FEL operation. (orig.)

  13. A multi-channel THz and infrared spectrometer for femtosecond electron bunch diagnostics by single-shot spectroscopy of coherent radiation

    International Nuclear Information System (INIS)

    Wesch, Stephan; Schmidt, Bernhard; Behrens, Christopher; Delsim-Hashemi, Hossein; Schmueser, Peter

    2011-08-01

    The high peak current required in free-electron lasers (FELs) is realized by longitudinal compression of the electron bunches to sub-picosecond length. In this paper, a frequency-domain diagnostic method is described that is capable of resolving structures in the femtosecond regime. A novel in-vacuum spectrometer has been developed for spectroscopy of coherent radiation in the THz and infrared range. The spectrometer is equipped with five consecutive dispersion gratings and 120 parallel readout channels; it can be operated either in short wavelength mode (5-44 μm) or in long wavelength mode (45-430 μm). Fast parallel readout permits the spectroscopy of coherent radiation from single electron bunches. Test measurements at the soft X-ray free-electron laser FLASH, using coherent transition radiation, demonstrate excellent performance of the spectrometer. The high sensitivity down to a few micrometers allows study of short bunch features caused for example by microbunching e ects in magnetic chicanes. The device is planned for use as an online bunch profile monitor during regular FEL operation. (orig.)

  14. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    International Nuclear Information System (INIS)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart; Kosugi, Nobuhiro

    2011-01-01

    Surface-site resolved Kr 3d 5/2 -1 5p and 3d 5/2 -1 6p and Xe 4d 5/2 -1 6p and 4d 5/2 -1 7p Rydberg excited states in small van der Waals Kr and Xe clusters with a mean size of = 15 are investigated by X-ray absorption spectroscopy. Furthermore, surface-site resolved Kr 4s -2 5p, 4s -2 6p, and 4s -1 4p -1 5p shakeup-like Rydberg states in small Kr clusters are investigated by resonant Auger electron spectroscopy. The exchange interaction of the Rydberg electron with the surrounding atoms and the induced polarization of the surrounding atoms in the singly and doubly ionized atoms are deduced from the experimental spectra to analyze different surface-site contributions in small clusters, assuming that the corner, edge, face, and bulk sites have 3, 5-6, 8, and 12 nearest neighbor atoms. These energies are almost proportional to the number of the nearest neighbor atoms. The present analysis indicates that small Kr and Xe clusters with = 15 have an average or mixture structure between the fcc-like cubic and icosahedron-like spherical structures.

  15. Single-mode molecular beam epitaxy grown PbEuSeTe/PbTe buried-heterostructure diode lasers for CO2 high-resolution spectroscopy

    International Nuclear Information System (INIS)

    Feit, Z.; Kostyk, D.; Woods, R.J.; Mak, P.

    1991-01-01

    Buried-heterostructure tunable PbEuSeTe/PbTe lasers were fabricated using a two-stage molecular beam epitaxy growth procedure. Improvements in the processing technique yielded lasers that show performance characteristics significantly better than those reported previously. A continuous wave (cw) operating temperature of 203 K was realized, which is the highest cw operating temperature ever reported for lead-chalcogenides diode lasers. This laser exhibited exceptionally low-threshold currents of 1.4 mA at 90 K and 43 mA at 160 K with single-mode operation for injection currents up to 30I th and 0.18 mW power at 100 K. The usefulness of the laser, when operating cw at 200 K, was demonstrated by the ability to perform high-resolution spectroscopy of a low-pressure CO 2 gas sample

  16. Classification of viable and non-viable spinach (Spinacia oleracea L.) seeds by single seed near infrared spectroscopy and extended canonical variates analysis

    DEFF Research Database (Denmark)

    Olesen, Merete Halkjær; Shetty, Nisha; Gislum, René

    2011-01-01

    ). Assigning the difference of scatter corrected absorbance spectra from aged and non-aged seeds also lead to CH2, CH3 and HC=CH structures, which are some of the functional groups in lipids. In the ECVA plot, there was a clear difference between seeds with and without a pericarp. Evaluating the spectra...... studies. Spinach (Spinacia oleracea L.) is the major crop in vegetable seed production in Denmark and two seed lots with viability percentages of 90% and 97% were chosen for examination by single seed NIR spectroscopy. Lipids play a major role in both ageing and germination. During accelerated ageing......, lipid peroxidation leads to deterioration of cell membranes and contributes in that way to reducing seed viability of the seed sample. These biochemical changes may be the reason for a clear grouping between aged and non-aged seeds when performing the extended canonical variates analysis (ECVA...

  17. Radial composition of single InGaN nanowires: a combined study by EDX, Raman spectroscopy, and X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-Gomez, M.; Garro, N.; Cantarero, A. [Institut de Ciencia dels Materials, Universitat de Valencia, Paterna (Spain); Segura-Ruiz, J.; Martinez-Criado, G.; Chu, M.H. [European Synchrotron Radiation Facility, Experiments Division, Grenoble (France); Denker, C.; Malindretos, J.; Rizzi, A. [IV. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany)

    2013-10-15

    The radial alloy distribution of In{sub x} Ga{sub 1-x}N nanowires grown by plasma-assisted molecular beam epitaxy has been investigated by three different techniques with nanometric spatial resolution and capability to study single nanowires. Energy-dispersive X-ray spectroscopy radial line-scans revealed a gradient in the alloy composition of individual nanowires. Resonant Raman scattering and spatially resolved X-ray diffraction showed the existence of three distinctive regions with different alloy composition. The combination of the three techniques provides robust evidence of the spontaneous formation of a core-shell structure with a thin Ga-richer shell wrapping an In-rich core at the bottom part of the nanowires. This composition-modulated nanostructure offers an attractive way to explore new device concepts in fully epitaxial nanowire-based solar cells. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Radial composition of single InGaN nanowires: a combined study by EDX, Raman spectroscopy, and X-ray diffraction

    International Nuclear Information System (INIS)

    Gomez-Gomez, M.; Garro, N.; Cantarero, A.; Segura-Ruiz, J.; Martinez-Criado, G.; Chu, M.H.; Denker, C.; Malindretos, J.; Rizzi, A.

    2013-01-01

    The radial alloy distribution of In x Ga 1-x N nanowires grown by plasma-assisted molecular beam epitaxy has been investigated by three different techniques with nanometric spatial resolution and capability to study single nanowires. Energy-dispersive X-ray spectroscopy radial line-scans revealed a gradient in the alloy composition of individual nanowires. Resonant Raman scattering and spatially resolved X-ray diffraction showed the existence of three distinctive regions with different alloy composition. The combination of the three techniques provides robust evidence of the spontaneous formation of a core-shell structure with a thin Ga-richer shell wrapping an In-rich core at the bottom part of the nanowires. This composition-modulated nanostructure offers an attractive way to explore new device concepts in fully epitaxial nanowire-based solar cells. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Rapid determination of free fatty acid content in waste deodorizer distillates using single bounce-attenuated total reflectance-FTIR spectroscopy.

    Science.gov (United States)

    Naz, Saba; Sherazi, Sayed Tufail Hussain; Talpur, Farah N; Mahesar, Sarfaraz A; Kara, Huseyin

    2012-01-01

    A simple, rapid, economical, and environmentally friendly analytical method was developed for the quantitative assessment of free fatty acids (FFAs) present in deodorizer distillates and crude oils by single bounce-attenuated total reflectance-FTIR spectroscopy. Partial least squares was applied for the calibration model based on the peak region of the carbonyl group (C=O) from 1726 to 1664 cm(-1) associated with the FFAs. The proposed method totally avoided the use of organic solvents or costly standards and could be applied easily in the oil processing industry. The accuracy of the method was checked by comparison to a conventional standard American Oil Chemists' Society (AOCS) titrimetric procedure, which provided good correlation (R = 0.99980), with an SD of +/- 0.05%. Therefore, the proposed method could be used as an alternate to the AOCS titrimetric method for the quantitative determination of FFAs especially in deodorizer distillates.

  20. Analysis of Strain and Intermixing in a Single Layer Ge/Si dots using polarized Raman Spectroscopy

    OpenAIRE

    PEROVA, TANIA; MOORE, ROBERT

    2006-01-01

    PUBLISHED The built-in strain and composition of as-grown and Si-capped single layers of Ge?Si dots grown at various temperatures (460?800 ?C) are studied by a comparative analysis of the Ge-Ge and Si-Ge modes in the polarized Raman spectra of the dots. A pronounced reduction of the strain and Ge content in the dots after deposition of the cap layer at low temperatures is observed, indicating that strain-induced Si diffusion from the cap layer is occurring. For large dots grown at 700?800...

  1. Tunneling spectroscopy of a germanium quantum dot in single-hole transistors with self-aligned electrodes

    International Nuclear Information System (INIS)

    Chen, G-L; Kuo, David M T; Lai, W-T; Li, P-W

    2007-01-01

    We have fabricated a Ge quantum dot (QD) (∼10 nm) single-hole transistor with self-aligned electrodes using thermal oxidation of a SiGe-on-insulator nanowire based on FinFET technology. This fabricated device exhibits clear Coulomb blockade oscillations with large peak-to-valley ratio (PVCR) of 250-750 and negative differential conductance with PVCR of ∼12 at room temperature. This reveals that the gate-induced tunneling barrier lowering is effectively suppressed due to the self-aligned electrode structure. The magnitude of tunneling current spectra also reveals the coupling strengths between the energy levels of the Ge QD and electrodes

  2. Synthesis, structural, X-ray photoelectron spectroscopy (XPS) studies and IR induced anisotropy of Tl{sub 4}HgI{sub 6} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine); Khyzhun, O.Y. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Piasecki, M. [Institute of Physics, J. Dlugosz University Częstochowa, Armii Krajowej 13/15, Częstochowa (Poland); Kityk, I.V., E-mail: iwank74@gmail.com [Electrical Engineering Department, Czestochowa University Technology, Armii Krajowej 17, PL-42-217, Czestochowa (Poland); Lakshminarayana, G. [Wireless and Photonic Networks Research Centre, Faculty of Engineering, Universiti Putra Malaysia, 43400, Serdang, Selangor (Malaysia); Luzhnyi, I. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., 03142, Kyiv (Ukraine); Fochuk, P.M. [Yuriy Fed’kovych Chernivtsi National University, 2 Kotziubynskoho Str., 58012, Chernivtsi (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, Pekarska Street 50, 79010, Lviv (Ukraine); Levkovets, S.I.; Yurchenko, O.M.; Piskach, L.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, Voli Ave. 13, Lutsk, 43025 (Ukraine)

    2017-02-01

    In the present work, we report on the synthesis and structural properties including X-ray protoelectron spectroscopy (XPS) analysis of Tl{sub 4}HgI{sub 6} crystals that were grown by Bridgman-Stockbarger method up to 80 mm in length and 18 mm in diameter. The existence of the ternary compound Tl{sub 4}HgI{sub 6} that melts incongruently at 641 K was confirmed. Phase equilibria and structural properties for the TlI–HgI{sub 2} system were investigated by differential thermal analysis (DTA) and X-ray diffraction (XRD) methods. X-ray photoelectron spectra were measured for both pristine and Ar{sup +} ion-bombarded Tl{sub 4}HgI{sub 6} single crystal surfaces. The data reveal that the Tl{sub 4}HgI{sub 6} single crystal is sensitive with respect to Ar{sup +} ion-bombardment as 3.0 keV Ar{sup +} irradiation over 5 min at an ion current density 14 μA/cm{sup 2} induces changes to the elemental stoichiometry of the Tl{sub 4}HgI{sub 6} surface, leading to a decrease of the mercury content in the topmost surface layers. X-ray photoelectron spectroscopy (XPS) measurements indicate very low hygroscopic nature of the Tl{sub 4}HgI{sub 6} single crystal surface. The IR coherent bicolor laser treatment at wavelengths 10.6/5.3 μm has shown an occurrence of anisotropy at wavelengths 1540 nm of Er:glass laser. This may open the applications of Tl{sub 4}HgI{sub 6} as a material for IR laser triggering. - Highlights: • Phase diagram of the HgI{sub 2}–TlI system was built. • Tl{sub 4}HgI{sub 6} single crystals were grown by Bridgman Stockbarger method. • XRD, XPS analysis was done. • Ir induced anisotropy was established. • The compounds may be proposed as Ir laser operated polarizers.

  3. Single-photon double and triple ionization of acetaldehyde (ethanal) studied by multi-electron coincidence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zagorodskikh, S. [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg (Sweden); Zhaunerchyk, V. [Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg (Sweden); Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Mucke, M. [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Eland, J.H.D. [Department of Chemistry, Physical and Theoretical Chemistry Laboratory, Oxford University, South Parks Road, Oxford OX1 3QZ (United Kingdom); Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg (Sweden); Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Squibb, R.J. [Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg (Sweden); Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Karlsson, L. [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Linusson, P. [Department of Physics, Stockholm University, AlbaNova University Center, SE-106 91 Stockholm (Sweden); Feifel, R., E-mail: raimund.feifel@gu.se [Department of Physics, University of Gothenburg, Origovägen 6B, SE-412 96 Gothenburg (Sweden); Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden)

    2015-12-16

    Highlights: • The first ever valence double ionization spectrum of acetaldehyde is reported. • The first ever site-selectively extracted Auger spectra of acetaldehyde are reported. • The first ever Auger spectra of acetaldehyde involving shake-up states are reported. • The first ever triple ionization spectra of acetaldehyde are reported. • The first ever energy sharing of electron pairs emitted by acetaldehyde is presented. - Abstract: Single-photon multiple ionization processes of acetaldehyde (ethanal) have been experimentally investigated by utilizing a multi-particle coincidence technique based on the time-of-flight magnetic bottle principle, in combination with either a synchrotron radiation source or a pulsed helium discharge lamp. The processes investigated include double and triple ionization in the valence region as well as single and double Auger decay of core-ionized acetaldehyde. The latter are studied site-selectively for chemically different carbon core vacancies, scrutinizing early theoretical predictions specifically made for the case of acetaldehyde. Moreover, Auger processes in shake-up and core-valence ionized states are investigated. In the cases where the processes involve simultaneous emission of two electrons, the distributions of the energy sharing are presented, emphasizing either the knock-out or shake-off mechanism.

  4. Chemical Structure, Ensemble and Single-Particle Spectroscopy of Thick-Shell InP-ZnSe Quantum Dots.

    Science.gov (United States)

    Reid, Kemar R; McBride, James R; Freymeyer, Nathaniel J; Thal, Lucas B; Rosenthal, Sandra J

    2018-02-14

    Thick-shell (>5 nm) InP-ZnSe colloidal quantum dots (QDs) grown by a continuous-injection shell growth process are reported. The growth of a thick crystalline shell is attributed to the high temperature of the growth process and the relatively low lattice mismatch between the InP core and ZnSe shell. In addition to a narrow ensemble photoluminescence (PL) line-width (∼40 nm), ensemble and single-particle emission dynamics measurements indicate that blinking and Auger recombination are reduced in these heterostructures. More specifically, high single-dot ON-times (>95%) were obtained for the core-shell QDs, and measured ensemble biexciton lifetimes, τ 2x ∼ 540 ps, represent a 7-fold increase compared to InP-ZnS QDs. Further, high-resolution energy dispersive X-ray (EDX) chemical maps directly show for the first time significant incorporation of indium into the shell of the InP-ZnSe QDs. Examination of the atomic structure of the thick-shell QDs by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) reveals structural defects in subpopulations of particles that may mitigate PL efficiencies (∼40% in ensemble), providing insight toward further synthetic refinement. These InP-ZnSe heterostructures represent progress toward fully cadmium-free QDs with superior photophysical properties important in biological labeling and other emission-based technologies.

  5. Identification of Zn-vacancy-hydrogen complexes in ZnO single crystals: A challenge to positron annihilation spectroscopy

    Science.gov (United States)

    Brauer, G.; Anwand, W.; Grambole, D.; Grenzer, J.; Skorupa, W.; Čížek, J.; Kuriplach, J.; Procházka, I.; Ling, C. C.; So, C. K.; Schulz, D.; Klimm, D.

    2009-03-01

    A systematic study of various, nominally undoped ZnO single crystals, either hydrothermally grown (HTG) or melt grown (MG), has been performed. The crystal quality has been assessed by x-ray diffraction, and a comprehensive estimation of the detailed impurity and hydrogen contents by inductively coupled plasma mass spectrometry and nuclear reaction analysis, respectively, has been made also. High precision positron lifetime experiments show that a single positron lifetime is observed in all crystals investigated, which clusters at 180-182 ps and 165-167 ps for HTG and MG crystals, respectively. Furthermore, hydrogen is detected in all crystals in a bound state with a high concentration (at least 0.3at.% ), whereas the concentrations of other impurities are very small. From ab initio calculations it is suggested that the existence of Zn-vacancy-hydrogen complexes is the most natural explanation for the given experimental facts at present. Furthermore, the distribution of H at a metal/ZnO interface of a MG crystal, and the H content of a HTG crystal upon annealing and time afterward has been monitored, as this is most probably related to the properties of electrical contacts made at ZnO and the instability in p -type conductivity observed at ZnO nanorods in literature. All experimental findings and presented theoretical considerations support the conclusion that various types of Zn-vacancy-hydrogen complexes exist in ZnO and need to be taken into account in future studies, especially for HTG materials.

  6. High Resolution AFM and Single-Cell Resonance Raman Spectroscopy of Geobacter sulfurreducens Biofilms Early in Growth

    Energy Technology Data Exchange (ETDEWEB)

    Lebedev, Nikolai, E-mail: nikolai.lebedev@nrl.navy.mil; Strycharz-Glaven, Sarah M.; Tender, Leonard M., E-mail: nikolai.lebedev@nrl.navy.mil [Center for Biomolecular Science and Engineering, US Naval Research Laboratory, Washington, DC (United States)

    2014-08-21

    Atomic force microscopy and confocal resonance Raman microscopy (CRRM) of single-cells were used to study the transition of anode-grown Geobacter sulfurreducens biofilms from lag phase (initial period of low current) to exponential phase (subsequent period of rapidly increasing current). Results reveal that lag phase biofilms consist of lone cells and tightly packed single-cell thick clusters crisscrossed with extracellular linear structures that appears to be comprised of nodules approximately 20 nm in diameter aligned end to end. By early exponential phase, cell clusters expand laterally and a second layer of closely packed cells begins to form on top of the first. Abundance of c-type cytochromes (c-Cyt) is threefold greater in two-cell thick regions than in one-cell thick regions. The results indicate that early biofilm growth involves two transformations. The first is from lone cells to two-dimensionally associated cells during lag phase when current remains low. This is accompanied by formation of extracellular linear structures. The second is from two- to three-dimensionally associated cells during early exponential phase when current begins to increase rapidly. This is accompanied by a dramatic increase in c-Cyt abundance.

  7. High Resolution AFM and Single-Cell Resonance Raman Spectroscopy of Geobacter sulfurreducens Biofilms Early in Growth

    International Nuclear Information System (INIS)

    Lebedev, Nikolai; Strycharz-Glaven, Sarah M.; Tender, Leonard M.

    2014-01-01

    Atomic force microscopy and confocal resonance Raman microscopy (CRRM) of single-cells were used to study the transition of anode-grown Geobacter sulfurreducens biofilms from lag phase (initial period of low current) to exponential phase (subsequent period of rapidly increasing current). Results reveal that lag phase biofilms consist of lone cells and tightly packed single-cell thick clusters crisscrossed with extracellular linear structures that appears to be comprised of nodules approximately 20 nm in diameter aligned end to end. By early exponential phase, cell clusters expand laterally and a second layer of closely packed cells begins to form on top of the first. Abundance of c-type cytochromes (c-Cyt) is threefold greater in two-cell thick regions than in one-cell thick regions. The results indicate that early biofilm growth involves two transformations. The first is from lone cells to two-dimensionally associated cells during lag phase when current remains low. This is accompanied by formation of extracellular linear structures. The second is from two- to three-dimensionally associated cells during early exponential phase when current begins to increase rapidly. This is accompanied by a dramatic increase in c-Cyt abundance.

  8. Absolute choline concentration measured by quantitative proton MR spectroscopy correlates with cell density in meningioma

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Qiang [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan)]|[West China Hospital of Sichuan University, Huaxi MR Research Center, Department of Radiology, Chengdu (China); Shibata, Yasushi; Kawamura, Hiraku; Matsumura, Akira [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan); Isobe, Tomonori [Kitasato University, Department of Medical Technology, School of Allied Health Sciences, Minato, Tokyo (Japan); Anno, Izumi [University of Tsukuba, Department of Radiology, Institute of Clinical Medicine, Tsukuba, Ibaraki (Japan); Gong, Qi-Yong [West China Hospital of Sichuan University, Huaxi MR Research Center, Department of Radiology, Chengdu (China)]|[University of Liverpool, Division of Medical Imaging, Faculty of Medicine, Liverpool (United Kingdom)

    2009-01-15

    This study was aimed to investigate the relationship between quantitative proton magnetic resonance spectroscopy (1H-MRS) and pathological changes in meningioma. Twenty-two meningioma cases underwent single voxel 1H-MRS (point-resolved spectroscopy sequence, repetition time/echo time = 2,000 ms/68, 136, 272 ms). Absolute choline (Cho) concentration was calculated using tissue water as the internal reference and corrected according to intra-voxel cystic/necrotic parts. Pathological specimens were stained with MIB-1 antibody to measure cell density and proliferation index. Correlation analysis was performed between absolute Cho concentration and cell density and MIB-1 labeled proliferation index. Average Cho concentration of all meningiomas before correction was 2.95 {+-} 0.86 mmol/kg wet weight. It was increased to 3.23 {+-} 1.15 mmol/kg wet weight after correction. Average cell density of all meningiomas was 333 {+-} 119 cells/HPF, and average proliferation index was 2.93 {+-} 5.72%. A linear, positive correlation between cell density and Cho concentration was observed (r = 0.650, P = 0.001). After correction of Cho concentration, the correlation became more significant (r = 0.737, P < 0.001). However, no significant correlation between Cho concentration and proliferation index was found. There seemed to be a positive correlation trend after correction of Cho concentration but did not reach significant level. Absolute Cho concentration, especially Cho concentration corrected according to intra-voxel cystic/necrotic parts, reflects cell density of meningioma. (orig.)

  9. Proton Spectroscopy in a Cross-Section of HIV-Positive Asymptomatic Patients Receiving Immediate Compared with Deferred Zidovudine (Concorde Study).

    Science.gov (United States)

    Hall-Craggs, M A; Williams, I G; Wilkinson, I D; Paley, M; Chinn, R J; Chong, W K; Kendall, B E; Harrison, M J; Baldeweg, T; Pugh, K; Riccio, M; Catalan, J; Weller, I V

    1997-01-01

    The purpose of this study was to examine by proton spectroscopy for any difference in cerebral metabolites in patients taking part in the Concorde study (comparing the efficacy of immediate versus deferred treatment with zidovudine on asymptomatic HIV infected individuals). Forty seven HIV positive male patients [29 immediate, 18 deferred zidovudine] were examined in the last 9 months of the therapeutic trial. Magnetic resonance imaging and proton spectroscopy were performed at 1.5 Tesla using a single voxel placed in the parieto-occipital white matter. No significant difference was found in metabolite ratios comparing immediate versus deferred zidovudine (NA/NA+Cho+Cr 0.52 vs. 0.52). High quality spectra were acquired in relatively large numbers of patients and logistically spectroscopy may be applied to clinical therapeutic studies.

  10. Proton magnetic resonance spectroscopy in the distinction of high-grade cerebral gliomas from single metastatic brain tumors

    International Nuclear Information System (INIS)

    Server, Andres; Schellhorn, Till; Haakonsen, Monika; Nakstad, Per H.; Josefsen, Roger; Kulle, Bettina; Maehlen, Jan; Kumar, Theresa; Gadmar, Oeystein; Langberg, Carl W.

    2010-01-01

    Background: Brain metastases and primary high-grade gliomas, including glioblastomas multiforme (GBM) and anaplastic astrocytomas (AA), may be indistinguishable by conventional magnetic resonance (MR) imaging. Identification of these tumors may have therapeutic consequences. Purpose: To assess the value of MR spectroscopy (MRS) using short and intermediate echo time (TE) in differentiating solitary brain metastases and high-grade gliomas on the basis of differences in metabolite ratios in the intratumoral and peritumoral region. Material and Methods: We performed MR imaging and MRS in 73 patients with histologically verified intraaxial brain tumors: 53 patients with high-grade gliomas (34 GBM and 19 AA) and 20 patients with metastatic brain tumors. The metabolite ratios of Cho/Cr, Cho/NAA, and NAA/Cr at intermediate TE and the presence of lipids at short TE were assessed from spectral maps in the tumoral core, peritumoral edema, and contralateral normal-appearing white matter. The differences in the metabolite ratios between high-grade gliomas/GBM/AA and metastases were analyzed statistically. Cutoff values of Cho/Cr, Cho/NAA, and NAA/Cr ratios in the peritumoral edema, as well as Cho/Cr and NAA/Cr ratios in the tumoral core for distinguishing high-grade gliomas/GBM/AA from metastases were determined by receiver operating characteristic (ROC) curve analysis. Results: Significant differences were noted in the peritumoral Cho/Cr, Cho/NAA, and NAA/ Cr ratios between high-grade gliomas/GBM/AA and metastases. ROC analysis demonstrated a cutoff value of 1.24 for peritumoral Cho/Cr ratio to provide sensitivity, specificity, positive (PPV), and negative predictive values (NPV) of 100%, 88.9%, 80.0%, and 100%, respectively, for discrimination between high-grade gliomas and metastases. By using a cutoff value of 1.11 for peritumoral Cho/NAA ratio, the sensitivity was 100%, the specificity was 91.1%, the PPV was 83.3%, and the NPV was 100%. Conclusion: The results of this

  11. Single-shot ultrabroadband two-dimensional electronic spectroscopy of the light-harvesting complex LH2.

    Science.gov (United States)

    Harel, Elad; Long, Phillip D; Engel, Gregory S

    2011-05-01

    Here we present two-dimensional (2D) electronic spectra of the light-harvesting complex LH2 from purple bacteria using coherent pulses with bandwidth of over 100 nm FWHM. This broadband excitation and detection has allowed the simultaneous capture of both the B800 and B850 bands using a single light source. We demonstrate that one laser pulse is sufficient to capture the entire 2D electronic spectrum with a high signal-to-noise ratio. At a waiting time of 800 fs, we observe population transfer from the B800 to B850 band as manifested by a prominent cross peak. These results will enable observation of the dynamics of biological systems across both ultrafast (1 ms) timescales simultaneously.

  12. Design and Construction of an Autonomous Low-Cost Pulse Height Analyzer and a Single Channel Analyzer for Moessbauer Spectroscopy

    International Nuclear Information System (INIS)

    Velasquez, A.A.; Trujillo, J.M.; Morales, A.L.; Tobon, J.E.; Gancedo, J.R.; Reyes, L.

    2005-01-01

    A multichannel analyzer (MCA) and a single channel-analyzer (SCA) for Moessbauer spectrometry application have been designed and built. Both systems include low-cost digital and analog components. A microcontroller manages, either in PHA or MCS mode, the data acquisition, data storage and setting of the pulse discriminator limits. The user can monitor the system from an external PC through the serial port with the RS232 communication protocol. A graphic interface made with the LabVIEW software allows the user to adjust digitally the lower and upper limits of the pulse discriminator, and to visualize as well as save the PHA spectra in a file. The system has been tested using a 57Co radioactive source and several iron compounds, yielding satisfactory results. The low cost of its design, construction and maintenance make this equipment an attractive choice when assembling a Moessbauer spectrometer

  13. Note: Pulsed single longitudinal mode optical parametric oscillator for sub-Doppler spectroscopy of jet cooled transient species

    Science.gov (United States)

    Zhang, Qiang; Zhu, Boxing; Zhang, Deping; Gu, Jingwang; Zhao, Dongfeng; Chen, Yang

    2017-12-01

    We present a pulsed single longitudinal mode optical parametric oscillator that was recently constructed for sub-Doppler spectroscopic studies of transient species in a supersonic slit jet expansion environment. The system consists of a Littman-type grazing-incidence-grating resonator and a KTP crystal and is pumped at 532 nm. By spatially filtering the pump laser beam and employing an active cavity-length-stabilization scheme, a frequency down-conversion efficiency up to 18% and generation of Fourier-transform limited pulses with a typical pulse duration of ˜5.5 ns and a bandwidth less than 120 MHz have been achieved. In combination with a slit jet expansion, a sub-Doppler spectrum of SiC2 has been recorded at ˜498 nm, showing a spectral resolution of Δν/ν ≈ 6.2 × 10-7.

  14. A voxel-based approach to gray matter asymmetries.

    Science.gov (United States)

    Luders, E; Gaser, C; Jancke, L; Schlaug, G

    2004-06-01

    Voxel-based morphometry (VBM) was used to analyze gray matter (GM) asymmetries in a large sample (n = 60) of male and female professional musicians with and without absolute pitch (AP). We chose to examine these particular groups because previous studies using traditional region-of-interest (ROI) analyses have shown differences in hemispheric asymmetry related to AP and gender. Voxel-based methods may have advantages over traditional ROI-based methods since the analysis can be performed across the whole brain with minimal user bias. After determining that the VBM method was sufficiently sensitive for the detection of differences in GM asymmetries between groups, we found that male AP musicians were more leftward lateralized in the anterior region of the planum temporale (PT) than male non-AP musicians. This confirmed the results of previous studies using ROI-based methods that showed an association between PT asymmetry and the AP phenotype. We further observed that male non-AP musicians revealed an increased leftward GM asymmetry in the postcentral gyrus compared to female non-AP musicians, again corroborating results of a previously published study using ROI-based methods. By analyzing hemispheric GM differences across our entire sample, we were able to partially confirm findings of previous studies using traditional morphometric techniques, as well as more recent, voxel-based analyses. In addition, we found some unusually pronounced GM asymmetries in our musician sample not previously detected in subjects unselected for musical training. Since we were able to validate gender- and AP-related brain asymmetries previously described using traditional ROI-based morphometric techniques, the results of our analyses support the use of VBM for examinations of GM asymmetries.

  15. Internal dosimetry estimates using voxelized reference phantoms for thyroid agents

    International Nuclear Information System (INIS)

    Hoseinian-Azghadi, E.; Rafat-Motavalli, L.; Miri-Hakimabad, H.

    2014-01-01

    This work presents internal dosimetry estimates for diagnostic procedures performed for thyroid disorders by relevant radiopharmaceuticals. The organ doses for 131 Iodine, 123 Iodine and 99m Tc incorporated into the body were calculated for the International Commission on Radiological Protection (ICRP) reference voxel phantoms using the Monte Carlo transport method. A comparison between different thyroid uptakes of iodine in the range of 0–55% was made, and the effect of various techniques for administration of 99m Tc on organ doses was studied. To investigate the necessity of calculating organ dose from all source regions, the major source organ and its contribution to total dose were specified for each target organ. Moreover, we compared effective dose in ICRP voxel phantoms with that in stylized phantoms. In our method, we directly calculated the organ dose without using the S values or SAFs, as is commonly done. Hence, a distribution of the absorbed dose to entire tissues was obtained. The chord length distributions (CLDs) were also computed for the selected source–target pairs to make comparison across the genders. The results showed that the S values for radionuclides in the thyroid are not sufficient for calculating the organ doses, especially for 123 I and 99m Tc. The thyroid and its neighboring organs receive a greater dose as thyroid uptake increases. Our comparisons also revealed an underestimation of organ doses reported for the stylized phantoms compared with the values based on the ICRP voxel phantoms in the uptake range of 5–55%, and an overestimation of absorbed dose by up to 2-fold for Iodine administration using blocking agent and for 99m Tc incorporation. (author)

  16. A non-voxel-based broad-beam (NVBB) framework for IMRT treatment planning.

    Science.gov (United States)

    Lu, Weiguo

    2010-12-07

    We present a novel framework that enables very large scale intensity-modulated radiation therapy (IMRT) planning in limited computation resources with improvements in cost, plan quality and planning throughput. Current IMRT optimization uses a voxel-based beamlet superposition (VBS) framework that requires pre-calculation and storage of a large amount of beamlet data, resulting in large temporal and spatial complexity. We developed a non-voxel-based broad-beam (NVBB) framework for IMRT capable of direct treatment parameter optimization (DTPO). In this framework, both objective function and derivative are evaluated based on the continuous viewpoint, abandoning 'voxel' and 'beamlet' representations. Thus pre-calculation and storage of beamlets are no longer needed. The NVBB framework has linear complexities (O(N(3))) in both space and time. The low memory, full computation and data parallelization nature of the framework render its efficient implementation on the graphic processing unit (GPU). We implemented the NVBB framework and incorporated it with the TomoTherapy treatment planning system (TPS). The new TPS runs on a single workstation with one GPU card (NVBB-GPU). Extensive verification/validation tests were performed in house and via third parties. Benchmarks on dose accuracy, plan quality and throughput were compared with the commercial TomoTherapy TPS that is based on the VBS framework and uses a computer cluster with 14 nodes (VBS-cluster). For all tests, the dose accuracy of these two TPSs is comparable (within 1%). Plan qualities were comparable with no clinically significant difference for most cases except that superior target uniformity was seen in the NVBB-GPU for some cases. However, the planning time using the NVBB-GPU was reduced many folds over the VBS-cluster. In conclusion, we developed a novel NVBB framework for IMRT optimization. The continuous viewpoint and DTPO nature of the algorithm eliminate the need for beamlets and lead to better plan

  17. A non-voxel-based broad-beam (NVBB) framework for IMRT treatment planning

    Energy Technology Data Exchange (ETDEWEB)

    Lu Weiguo, E-mail: wlu@tomotherapy.co [TomoTherapy Inc., 1240 Deming Way, Madison, WI 53717 (United States)

    2010-12-07

    We present a novel framework that enables very large scale intensity-modulated radiation therapy (IMRT) planning in limited computation resources with improvements in cost, plan quality and planning throughput. Current IMRT optimization uses a voxel-based beamlet superposition (VBS) framework that requires pre-calculation and storage of a large amount of beamlet data, resulting in large temporal and spatial complexity. We developed a non-voxel-based broad-beam (NVBB) framework for IMRT capable of direct treatment parameter optimization (DTPO). In this framework, both objective function and derivative are evaluated based on the continuous viewpoint, abandoning 'voxel' and 'beamlet' representations. Thus pre-calculation and storage of beamlets are no longer needed. The NVBB framework has linear complexities (O(N{sup 3})) in both space and time. The low memory, full computation and data parallelization nature of the framework render its efficient implementation on the graphic processing unit (GPU). We implemented the NVBB framework and incorporated it with the TomoTherapy treatment planning system (TPS). The new TPS runs on a single workstation with one GPU card (NVBB-GPU). Extensive verification/validation tests were performed in house and via third parties. Benchmarks on dose accuracy, plan quality and throughput were compared with the commercial TomoTherapy TPS that is based on the VBS framework and uses a computer cluster with 14 nodes (VBS-cluster). For all tests, the dose accuracy of these two TPSs is comparable (within 1%). Plan qualities were comparable with no clinically significant difference for most cases except that superior target uniformity was seen in the NVBB-GPU for some cases. However, the planning time using the NVBB-GPU was reduced many folds over the VBS-cluster. In conclusion, we developed a novel NVBB framework for IMRT optimization. The continuous viewpoint and DTPO nature of the algorithm eliminate the need for beamlets

  18. Photoelectron spectroscopy and density functional theory studies of (FeS)mH- (m = 2-4) cluster anions: effects of the single hydrogen.

    Science.gov (United States)

    Yin, Shi; Bernstein, Elliot R

    2017-12-20

    Single hydrogen containing iron hydrosulfide cluster anions (FeS) m H - (m = 2-4) are studied by photoelectron spectroscopy (PES) at 3.492 eV (355 nm) and 4.661 eV (266 nm) photon energies, and by Density Functional Theory (DFT) calculations. The structural properties, relative energies of different spin states and isomers, and the first calculated vertical detachment energies (VDEs) of different spin states for these (FeS) m H - (m = 2-4) cluster anions are investigated at various reasonable theory levels. Two types of structural isomers are found for these (FeS) m H - (m = 2-4) clusters: (1) the single hydrogen atom bonds to a sulfur site (SH-type); and (2) the single hydrogen atom bonds to an iron site (FeH-type). Experimental and theoretical results suggest such available different SH- and FeH-type structural isomers should be considered when evaluating the properties and behavior of these single hydrogen containing iron sulfide clusters in real chemical and biological systems. Compared to their related, respective pure iron sulfur (FeS) m - clusters, the first VDE trend of the diverse type (FeS) m H 0,1 - (m = 1-4) clusters can be understood through (1) the different electron distribution properties of their highest singly occupied molecular orbital employing natural bond orbital analysis (NBO/HSOMO), and (2) the partial charge distribution on the NBO/HSOMO localized sites of each cluster anion. Generally, the properties of the NBO/HSOMOs play the principal role with regard to the physical and chemical properties of all the anions. The change of cluster VDE from low to high is associated with the change in nature of their NBO/HSOMO from a dipole bound and valence electron mixed character, to a valence p orbital on S, to a valence d orbital on Fe, and to a valence p orbital on Fe or an Fe-Fe delocalized valence bonding orbital. For clusters having the same properties for NBO/HSOMOs, the partial charge distributions at the NBO/HSOMO localized sites additionally

  19. Single-particle spectroscopy of I-III-VI semiconductor nanocrystals: spectral diffusion and suppression of blinking by two-color excitation.

    Science.gov (United States)

    Sharma, Dharmendar Kumar; Hirata, Shuzo; Bujak, Lukasz; Biju, Vasudevanpillai; Kameyama, Tatsuya; Kishi, Marino; Torimoto, Tsukasa; Vacha, Martin

    2016-07-14

    Ternary I-III-VI semiconductor nanocrystals have been explored as non-toxic alternatives to II-VI semiconductors for optoelectronic and sensing applications, but large photoluminescence spectral width and moderate brightness restrict their practical use. Here, using single-particle photoluminescence spectroscopy on nanocrystals of (AgIn)xZn2(1-x)S2 we show that the photoluminescence band is inhomogeneously broadened and that size distribution is the dominant factor in the broadening. The residual homogeneous linewidth of individual nanocrystals reaches up to 75% of the ensemble spectral width. Single nanocrystals undergo spectral diffusion which also contributes to the inhomogeneous band. Excitation with two lasers with energies above and below the bandgap reveals coexistence of two emitting donor states within one particle. Spectral diffusion in such particles is due to temporal activation and deactivation of one such state. Filling of a trap state with a lower-energy laser enables optical modulation of photoluminescence intermittency (blinking) and leads to an almost two-fold increase in brightness.

  20. DFT calculations of the charged states of N@C60 and Fe4 single molecule magnets investigated in tunneling spectroscopy

    Science.gov (United States)

    Nossa, Javier; Islam, Fhokrul; Canali, Carlo; Pederson, Mark

    2012-02-01

    For device applications of single molecule magnets (SMMs) in high-density information storage and quantum-state control it is essential that the magnetic properties of the molecules remain stable under the influence of metallic contacts or surface environment. Recent tunneling experiments [1, 2] on N@C60 and Fe4 SMM have shown that these molecules preserve their magnetic characteristics when they are used as the central island of single-electron transistors. Although quantum spin models have been used extensively to study theoretically tunneling spectroscopy of SMMs, it has been shown recently that the orbital degrees of freedom, which is absent in spin models, can significantly affect the tunneling conductance [3]. In this work we present first-principles calculations of the neutral and charged states of N@C60 and Fe4 SMMs, and discuss a strategy to include their properties into a theory of quantum transport. We also present results of the magnetic anisotropy for the different charge states of Fe4 and discuss their relevance for experiments [2] in the sequential tunneling and cotunnelling regimes. [4pt] [1]. N. Roch et al., Phys. Rev. B 83, 081407 (2011). [0pt] [2]. A.S. Zyazin et al., Nano Lett. 10, 3307 (2010). [0pt] [3]. L. Michalak et al., Phys. Rev. Lett. 104, 017202 (2010).

  1. Probing vacancy-type free-volume defects in Li2B4O7 single crystal by positron annihilation lifetime spectroscopy

    Science.gov (United States)

    Shpotyuk, O.; Adamiv, V.; Teslyuk, I.; Ingram, A.; Demchenko, P.

    2018-01-01

    Vacancy-type free-volume defects in lithium tetraborate Li2B4O7 single crystal, grown by the Czochralski technique, are probed with positron annihilation spectroscopy in the lifetime measuring mode. The experimental positron lifetime spectrum is reconstructed within the three-component fitting, involving channels of positron and positronium Ps trapping, as well as within the two-component fitting with a positronium-compensating source input. Structural configurations of the most efficient positron traps are considered using the crystallographic specificity of lithium tetraborate with the main accent on cation-type vacancies. Possible channels of positron trapping are visualized using the electronic structure calculations with density functional theory at the basis of structural parameters proper to Li2B4O7. Spatially-extended positron-trapping complexes involving singly-ionized lithium vacancies, with character lifetime close to 0.32 ns, are responsible for positron trapping in the nominally undoped lithium tetraborate Li2B4O7 crystal.

  2. Study of Charge-Dependent Transport and Toxicity of Peptide-Functionalized Silver Nanoparticles Using Zebrafish Embryos and Single Nanoparticle Plasmonic Spectroscopy

    Science.gov (United States)

    Lee, Kerry J.; Browning, Lauren M.; Nallathamby, Prakash D.; Xu, Xiao-Hong Nancy

    2013-01-01

    Nanomaterials possess unusually high surface area-to-volume ratios, and surface-determined physicochemical properties. It is essential to understand their surface-dependent toxicity in order to rationally design biocompatible nanomaterials for a wide variety of applications. In this study, we have functionalized the surfaces of silver nanoparticles (Ag NPs, 11.7 ± 2.7 nm in diameters) with three biocompatible peptides (CALNNK, CALNNS, CALNNE) to prepare positively (Ag-CALNNK NPs+ζ), negatively (Ag-CALNNS NPs−2ζ), and more negatively charged NPs (Ag-CALNNE NPs−4ζ), respectively. Each peptide differs in a single amino acid at its C-terminus, which minimizes the effects of peptide sequences and serves as a model molecule to create positive, neutral and negative charges on the surface of the NPs at pH 4–10. We have studied their charge-dependent transport into early-developing (cleavage-stage) zebrafish embryos and their effects on embryonic development using dark-field optical microscopy and spectroscopy (DFOMS). We found that all three Ag-peptide NPs passively diffused into the embryos via their chorionic pore canals, and stayed inside the embryos throughout their entire development (120 h), showing charge-independent diffusion modes and charge-dependent diffusion coefficients. Notably, the NPs create charge-dependent toxic effects on embryonic development, showing that the Ag-CALNNK NPs+ζ (positively charged) are the most biocompatible while the Ag-CALNNE NPs–4ζ (more negatively charged) are the most toxic. By comparing with our previous studies of the same sized citrated Ag and Au NPs, the Ag-peptide NPs are much more biocompatible than the citrated Ag NPs, and nearly as biocompatible as the Au NPs, showing the dependence of nanotoxicity upon the surface charges, surface functional groups and chemical compositions of the NPs. This study also demonstrates powerful applications of single NP plasmonic spectroscopy for quantitative analysis of single NPs

  3. Revealing energy level structure of individual quantum dots by tunneling rate measured by single-electron sensitive electrostatic force spectroscopy.

    Science.gov (United States)

    Roy-Gobeil, Antoine; Miyahara, Yoichi; Grutter, Peter

    2015-04-08

    We present theoretical and experimental studies of the effect of the density of states of a quantum dot (QD) on the rate of single-electron tunneling that can be directly measured by electrostatic force microscopy (e-EFM) experiments. In e-EFM, the motion of a biased atomic force microscope cantilever tip modulates the charge state of a QD in the Coulomb blockade regime. The charge dynamics of the dot, which is detected through its back-action on the capacitavely coupled cantilever, depends on the tunneling rate of the QD to a back-electrode. The density of states of the QD can therefore be measured through its effect on the energy dependence of tunneling rate. We present experimental data on individual 5 nm colloidal gold nanoparticles that exhibit a near continuous density of state at 77 K. In contrast, our analysis of already published data on self-assembled InAs QDs at 4 K clearly reveals discrete degenerate energy levels.

  4. Single-neutron orbits near {sup 78}Ni: Spectroscopy of the N=49 isotope {sup 79}Zn

    Energy Technology Data Exchange (ETDEWEB)

    Orlandi, R., E-mail: orlandi.riccardo@jaea.go.jp [Instituto de Estructura de la Materia, IEM-CSIC, Madrid, E-28006 (Spain); KU Leuven, Instituut voor Kern- en Stralingsfysica, B-3001 Heverlee (Belgium); School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (SUPA) (United Kingdom); Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195 (Japan); Mücher, D. [Physik Department E12, Technische Universität München, D-85748 Garching (Germany); Raabe, R. [KU Leuven, Instituut voor Kern- en Stralingsfysica, B-3001 Heverlee (Belgium); Jungclaus, A. [Instituto de Estructura de la Materia, IEM-CSIC, Madrid, E-28006 (Spain); Pain, S.D. [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Bildstein, V. [Physik Department E12, Technische Universität München, D-85748 Garching (Germany); Chapman, R. [School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (SUPA) (United Kingdom); Angelis, G. de [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Legnaro, Legnaro, I-35020 (Italy); Johansen, J.G. [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus (Denmark); Van Duppen, P. [KU Leuven, Instituut voor Kern- en Stralingsfysica, B-3001 Heverlee (Belgium); Andreyev, A.N. [School of Engineering, University of the West of Scotland, Paisley, PA1 2BE (United Kingdom); Scottish Universities Physics Alliance (SUPA) (United Kingdom); Department of Physics, University of York, Heslington, YO10 5DD (United Kingdom); Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195 (Japan); and others

    2015-01-05

    Single-neutron states in the Z=30, N=49 isotope {sup 79}Zn have been populated using the {sup 78}Zn(d, p){sup 79}Zn transfer reaction at REX-ISOLDE, CERN. The experimental setup allowed the combined detection of protons ejected in the reaction, and of γ rays emitted by {sup 79}Zn. The analysis reveals that the lowest excited states populated in the reaction lie at approximately 1 MeV of excitation, and involve neutron orbits above the N=50 shell gap. From the analysis of γ-ray data and of proton angular distributions, characteristic of the amount of angular momentum transferred, a 5/2{sup +} configuration was assigned to a state at 983 keV. Comparison with large-scale-shell-model calculations supports a robust neutron N=50 shell-closure for {sup 78}Ni. These data constitute an important step towards the understanding of the magicity of {sup 78}Ni and of the structure of nuclei in the region.

  5. Single-resonance optical pumping spectroscopy and application in dressed-state measurement with atomic vapor cell at room temperature.

    Science.gov (United States)

    Liang, Qiangbing; Yang, Baodong; Zhang, Tiancai; Wang, Junmin

    2010-06-21

    By monitoring the transmission of probe laser beam (also served as coupling laser beam) which is locked to a cycling hyperfine transition of cesium D(2) line, while pumping laser is scanned across cesium D(1) or D(2) lines, the single-resonance optical pumping (SROP) spectra are obtained with atomic vapor cell. The SROP spectra indicate the variation of the zero-velocity atoms population of one hyperfine fold of ground state, which is optically pumped into another hyperfine fold of ground state by pumping laser. With the virtue of Doppler-free linewidth, high signal-to-noise ratio (SNR), flat background and elimination of crossover resonance lines (CRLs), the SROP spectra with atomic vapor cell around room temperature can be employed to measure dressed-state splitting of ground state, which is normally detected with laser-cooled atomic sample only, even if the dressed-state splitting is much smaller than the Doppler-broaden linewidth at room temperature.

  6. Using surface-enhanced Raman spectroscopy and electrochemically driven melting to discriminate Yersinia pestis from Y. pseudotuberculosis based on single nucleotide polymorphisms within unpurified polymerase chain reaction amplicons.

    Science.gov (United States)

    Papadopoulou, Evanthia; Goodchild, Sarah A; Cleary, David W; Weller, Simon A; Gale, Nittaya; Stubberfield, Michael R; Brown, Tom; Bartlett, Philip N

    2015-02-03

    The development of sensors for the detection of pathogen-specific DNA, including relevant species/strain level discrimination, is critical in molecular diagnostics with major impacts in areas such as bioterrorism and food safety. Herein, we use electrochemically driven denaturation assays monitored by surface-enhanced Raman spectroscopy (SERS) to target single nucleotide polymorphisms (SNPs) that distinguish DNA amplicons generated from Yersinia pestis, the causative agent of plague, from the closely related species Y. pseudotuberculosis. Two assays targeting SNPs within the groEL and metH genes of these two species have been successfully designed. Polymerase chain reaction (PCR) was used to produce Texas Red labeled single-stranded DNA (ssDNA) amplicons of 262 and 251 bases for the groEL and metH targets, respectively. These amplicons were used in an unpurified form to hybridize to immobilized probes then subjected to electrochemically driven melting. In all cases electrochemically driven melting was able to discriminate between fully homologous DNA and that containing SNPs. The metH assay was particularly challenging due to the presence of only a single base mismatch in the middle of the 251 base long PCR amplicon. However, manipulation of assay conditions (conducting the electrochemical experiments at 10 °C) resulted in greater discrimination between the complementary and mismatched DNA. Replicate data were collected and analyzed for each duplex on different days, using different batches of PCR product and different sphere segment void (SSV) substrates. Despite the variability introduced by these differences, the assays are shown to be reliable and robust providing a new platform for strain discrimination using unpurified PCR samples.

  7. Development of Compton X-ray spectrometer for high energy resolution single-shot high-flux hard X-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kojima, Sadaoki, E-mail: kojima-s@ile.osaka-u.ac.jp, E-mail: sfujioka@ile.osaka-u.ac.jp; Ikenouchi, Takahito; Arikawa, Yasunobu; Sakata, Shohei; Zhang, Zhe; Abe, Yuki; Nakai, Mitsuo; Nishimura, Hiroaki; Shiraga, Hiroyuki; Fujioka, Shinsuke, E-mail: kojima-s@ile.osaka-u.ac.jp, E-mail: sfujioka@ile.osaka-u.ac.jp; Azechi, Hiroshi [Institute of Laser Engineering, Osaka University, 2-6 Yamada-oka, Suita, Osaka 565-0871 (Japan); Ozaki, Tetsuo [National Institute for Fusion Science, 322-6 Oroshi, Toki, Gifu 509-5292 (Japan); Miyamoto, Shuji; Yamaguchi, Masashi; Takemoto, Akinori [Laboratory of Advanced Science and Technology for Industry, University of Hyogo, 3-1-2 Kouto, Kamigori-cho, Ako-gun, Hyogo 678-1205 (Japan)

    2016-04-15

    Hard X-ray spectroscopy is an essential diagnostics used to understand physical processes that take place in high energy density plasmas produced by intense laser-plasma interactions. A bundle of hard X-ray detectors, of which the responses have different energy thresholds, is used as a conventional single-shot spectrometer for high-flux (>10{sup 13} photons/shot) hard X-rays. However, high energy resolution (Δhv/hv < 0.1) is not achievable with a differential energy threshold (DET) X-ray spectrometer because its energy resolution is limited by energy differences between the response thresholds. Experimental demonstration of a Compton X-ray spectrometer has already been performed for obtaining higher energy resolution than that of DET spectrometers. In this paper, we describe design details of the Compton X-ray spectrometer, especially dependence of energy resolution and absolute response on photon-electron converter design and its background reduction scheme, and also its application to the laser-plasma interaction experiment. The developed spectrometer was used for spectroscopy of bremsstrahlung X-rays generated by intense laser-plasma interactions using a 200 μm thickness SiO{sub 2} converter. The X-ray spectrum obtained with the Compton X-ray spectrometer is consistent with that obtained with a DET X-ray spectrometer, furthermore higher certainly of a spectral intensity is obtained with the Compton X-ray spectrometer than that with the DET X-ray spectrometer in the photon energy range above 5 MeV.

  8. Voxel-based model construction from colored tomographic images

    International Nuclear Information System (INIS)

    Loureiro, Eduardo Cesar de Miranda

    2002-07-01

    This work presents a new approach in the construction of voxel-based phantoms that was implemented to simplify the segmentation process of organs and tissues reducing the time used in this procedure. The segmentation process is performed by painting tomographic images and attributing a different color for each organ or tissue. A voxel-based head and neck phantom was built using this new approach. The way as the data are stored allows an increasing in the performance of the radiation transport code. The program that calculates the radiation transport also works with image files. This capability allows image reconstruction showing isodose areas, under several points of view, increasing the information to the user. Virtual X-ray photographs can also be obtained allowing that studies could be accomplished looking for the radiographic techniques optimization assessing, at the same time, the doses in organs and tissues. The accuracy of the program here presented, called MCvoxEL, that implements this new approach, was tested by comparison to results from two modern and well-supported Monte Carlo codes. Dose conversion factors for parallel X-ray exposure were also calculated. (author)

  9. Mister Voxel: 3D internal dosimetry software for nuclear medicine

    International Nuclear Information System (INIS)

    McKay, E.

    1998-01-01

    Full text: Calculation of individual internal dosimetry in nuclear medicine is a complex, multi-stage process. Most often, calculations are biased on the MIRD methodology, which assumes uniform distribution of cumulated activity inside a set of mathematically described internal organs. The MIRD 'reference man' geometry is highly simplified and the dosimetry estimates generated by this method were originally only intended to predict the average dose expected in an exposed population. We have developed a software package for the Macintosh computer ('Mister Voxel') that uses a fast Fourier transform to calculate the 3D distribution of absorbed dose by convolving a 3D dose kernel with a 3D distribution of cumulated activity. This makes it possible to generate dose volume histograms and isodose contours for organs or tumours treated with radiopharmaceuticals, a task not possible using the MIRD technique. In addition to providing 3D convolution, Mister Voxel performs basic image processing functions (image math, filters, cut and paste) and provides a collection of painting tools and simple morphological operators to facilitate the delineation of regions of interest (ROIs) along anatomical boundaries. The package also includes an image registration module with tools for automated or manual registration of 3D data sets. The structure of the package allows ROIs drawn on CT or MRI data to be easily transferred to registered SPECT data. Dose kernels are implemented by plug-in code modules, allowing the user to extend the system's capabilities if required. File import and export capabilities are also extensible

  10. Fast voxel and polygon ray-tracing algorithms in intensity modulated radiation therapy treatment planning

    International Nuclear Information System (INIS)

    Fox, Christopher; Romeijn, H. Edwin; Dempsey, James F.

    2006-01-01

    We present work on combining three algorithms to improve ray-tracing efficiency in radiation therapy dose computation. The three algorithms include: An improved point-in-polygon algorithm, incremental voxel ray tracing algorithm, and stereographic projection of beamlets for voxel truncation. The point-in-polygon and incremental voxel ray-tracing algorithms have been used in computer graphics and nuclear medicine applications while the stereographic projection algorithm was developed by our group. These algorithms demonstrate significant improvements over the current standard algorithms in peer reviewed literature, i.e., the polygon and voxel ray-tracing algorithms of Siddon for voxel classification (point-in-polygon testing) and dose computation, respectively, and radius testing for voxel truncation. The presented polygon ray-tracing technique was tested on 10 intensity modulated radiation therapy (IMRT) treatment planning cases that required the classification of between 0.58 and 2.0 million voxels on a 2.5 mm isotropic dose grid into 1-4 targets and 5-14 structures represented as extruded polygons (a.k.a. Siddon prisms). Incremental voxel ray tracing and voxel truncation employing virtual stereographic projection was tested on the same IMRT treatment planning cases where voxel dose was required for 230-2400 beamlets using a finite-size pencil-beam algorithm. Between a 100 and 360 fold cpu time improvement over Siddon's method was observed for the polygon ray-tracing algorithm to perform classification of voxels for target and structure membership. Between a 2.6 and 3.1 fold reduction in cpu time over current algorithms was found for the implementation of incremental ray tracing. Additionally, voxel truncation via stereographic projection was observed to be 11-25 times faster than the radial-testing beamlet extent approach and was further improved 1.7-2.0 fold through point-classification using the method of translation over the cross product technique

  11. Proton MR spectroscopy in patients with acute temporal lobe seizures.

    Science.gov (United States)

    Castillo, M; Smith, J K; Kwock, L

    2001-01-01

    Decreases in N-acetyl aspartate (NAA) as seen by proton MR spectroscopy are found in hippocampal sclerosis, and elevated levels of lipids/lactate have been observed after electroconvulsive therapy. Our purpose was to determine whether increased levels of lipids/lactate are found in patients with acute seizures of hippocampal origin. Seventeen patients with known temporal lobe epilepsy underwent proton MR spectroscopy of the mesial temporal lobes within 24 hours of their last seizure. Four of them were restudied when they were seizure-free. Five healthy individuals were used as control subjects. All MR spectroscopy studies were obtained using a single-voxel technique with TEs of 135 and 270. The relationship between the presence of lipids/lactate and seizures was tested using Fisher's exact test. Mean and standard deviations for NAA/creatine (Cr) were obtained in the hippocampi in patients with seizures on initial and follow-up studies and these values were compared with those in the control subjects. Seizure lateralization was obtained in 15 patients. Of the 17 seizure locations that involved hippocampi, 16 showed lipids/lactate by proton MR spectroscopy. Of the 13 hippocampi not directly affected by seizures, 10 showed no lipids/lactate and three showed lipids/lactate. The relationship between lipids/lactate and seizure location was confirmed. A comparison of NAA/Cr ratios for the involved hippocampi with those in control subjects showed significant differences on initial MR spectroscopy; however, no significant difference was found between acute and follow-up NAA/Cr ratios in hippocampi affected by seizures. Lipids/lactate were present in the hippocampi of patients with acute seizures and decreased when the patients were seizure-free. Thus, lipids/lactate may be a sensitive marker for acute temporal lobe seizures.

  12. WE-D-BRE-06: Quantification of Dose-Response for High Grade Esophagtis Patients Using a Novel Voxel-To-Voxel Method

    International Nuclear Information System (INIS)

    Niedzielski, J; Martel, M; Tucker, S; Gomez, D; Court, L; Yang, J; Briere, T

    2014-01-01

    Purpose: Radiation induces an inflammatory response in the esophagus, discernible on CT studies. This work objectively quantifies the voxel esophageal radiation-response for patients with acute esophagitis. This knowledge is an important first-step towards predicting the effect of complex dose distributions on patient esophagitis symptoms. Methods: A previously validated voxel-based methodology of quantifying radiation esophagitis severity was used to identify the voxel dose-response for 18 NSCLC patients with severe esophagitis (CTCAE grading criteria, grade2 or higher). The response is quantified as percent voxel volume change for a given dose. During treatment (6–8 weeks), patients had weekly 4DCT studies and esophagitis scoring. Planning CT esophageal contours were deformed to each weekly CT using a demons DIR algorithm. An algorithm using the Jacobian Map from the DIR of the planning CT to all weekly CTs was used to quantify voxel-volume change, along with corresponding delivered voxel dose, to the planning voxel. Dose for each voxel for each time-point was calculated on each previous weekly CT image, and accumulated using DIR. Thus, for each voxel, the volume-change and delivered dose was calculated for each time-point. The data was binned according to when the volume-change first increased by a threshold volume (10%–100%, in 10% increments), and the average delivered dose calculated for each bin. Results: The average dose resulting in a voxel volume increase of 10–100% was 21.6 to 45.9Gy, respectively. The mean population dose to give a 50% volume increase was 36.3±4.4Gy, (range:29.8 to 43.5Gy). The average week of 50% response was 4.1 (range:4.9 to 2.8 weeks). All 18 patients showed similar dose to first response curves, showing a common trend in the initial inflammatoryresponse. Conclusion: We extracted the dose-response curve of the esophagus on a voxel-to-voxel level. This may be useful for estimating the esophagus response (and patient symptoms

  13. Near infra-red spectroscopy quantitative modelling of bivalve protein, lipid and glycogen composition using single-species versus multi-species calibration and validation sets

    Science.gov (United States)

    Bartlett, Jill K.; Maher, William A.; Purss, Matthew B. J.

    2018-03-01

    Near infrared spectroscopy (NIRS) quantitative modelling was used to measure the protein, lipid and glycogen composition of five marine bivalve species (Saccostrea glomerata, Ostrea angasi, Crassostrea gigas, Mytilus galloprovincialis and Anadara trapezia) from multiple locations and seasons. Predictive models were produced for each component using individual species and aggregated sample populations for the three oyster species (S. glomerata, O. angasi and C. gigas) and for all five bivalve species. Whole animal tissues were freeze dried, ground to > 20 μm and scanned by NIRS. Protein, lipid and glycogen composition were determined by traditional chemical analyses and calibration models developed to allow rapid NIRS-measurement of these components in the five bivalve species. Calibration modelling was performed using wavelet selection, genetic algorithms and partial least squares analysis. Model quality was assessed using RPIQ and RMESP. For protein composition, single species model results had RPIQ values between 2.4 and 3.5 and RMSEP between 8.6 and 18%, the three oyster model had an RPIQ of 2.6 and an RMSEP of 10.8% and the five bivalve species had an RPIQ of 3.6 and RMSEP of 8.7% respectively. For lipid composition, single species models achieved RPIQ values between 2.9 and 5.3 with RMSEP between 9.1 and 11.2%, the oyster model had an RPIQ of 3.6 and RMSEP of 6.8 and the five bivalve model had an RPIQ of 5.2 and RMSEP of 6.8% respectively. For glycogen composition, the single species models had RPIQs between 3.8 and 18.9 with RMSEP between 3.5 and 9.2%, the oyster model had an RPIQ of 5.5 and RMSEP of 7.1% and the five bivalve model had an RPIQ of 4 and RMSEP of 7.6% respectively. Comparison between individual species models and aggregated models for three oyster species and five bivalve species for each component indicate that aggregating data from like species produces high quality models with robust and reliable quantitative application. The benefit of

  14. Analysis of multiplex gene expression maps obtained by voxelation.

    Science.gov (United States)

    An, Li; Xie, Hongbo; Chin, Mark H; Obradovic, Zoran; Smith, Desmond J; Megalooikonomou, Vasileios

    2009-04-29

    Gene expression signatures in the mammalian brain hold the key to understanding neural development and neurological disease. Researchers have previously used voxelation in combination with microarrays for acquisition of genome-wide atlases of expression patterns in the mouse brain. On the other hand, some work has been performed on studying gene functions, without taking into account the location information of a gene's expression in a mouse brain. In this paper, we present an approach for identifying the relation between gene expression maps obtained by voxelation and gene functions. To analyze the dataset, we chose typical genes as queries and aimed at discovering similar gene groups. Gene similarity was determined by using the wavelet features extracted from the left and right hemispheres averaged gene expression maps, and by the Euclidean distance between each pair of feature vectors. We also performed a multiple clustering approach on the gene expression maps, combined with hierarchical clustering. Among each group of similar genes and clusters, the gene function similarity was measured by calculating the average gene function distances in the gene ontology structure. By applying our methodology to find similar genes to certain target genes we were able to improve our understanding of gene expression patterns and gene functions. By applying the clustering analysis method, we obtained significant clusters, which have both very similar gene expression maps and very similar gene functions respectively to their corresponding gene ontologies. The cellular component ontology resulted in prominent clusters expressed in cortex and corpus callosum. The molecular function ontology gave prominent clusters in cortex, corpus callosum and hypothalamus. The biological process ontology resulted in clusters in cortex, hypothalamus and choroid plexus. Clusters from all three ontologies combined were most prominently expressed in cortex and corpus callosum. The experimental

  15. Analysis of multiplex gene expression maps obtained by voxelation

    Directory of Open Access Journals (Sweden)

    Smith Desmond J

    2009-04-01

    Full Text Available Abstract Background Gene expression signatures in the mammalian brain hold the key to understanding neural development and neurological disease. Researchers have previously used voxelation in combination with microarrays for acquisition of genome-wide atlases of expression patterns in the mouse brain. On the other hand, some work has been performed on studying gene functions, without taking into account the location information of a gene's expression in a mouse brain. In this paper, we present an approach for identifying the relation between gene expression maps obtained by voxelation and gene functions. Results To analyze the dataset, we chose typical genes as queries and aimed at discovering similar gene groups. Gene similarity was determined by using the wavelet features extracted from the left and right hemispheres averaged gene expression maps, and by the Euclidean distance between each pair of feature vectors. We also performed a multiple clustering approach on the gene expression maps, combined with hierarchical clustering. Among each group of similar genes and clusters, the gene function similarity was measured by calculating the average gene function distances in the gene ontology structure. By applying our methodology to find similar genes to certain target genes we were able to improve our understanding of gene expression patterns and gene functions. By applying the clustering analysis method, we obtained significant clusters, which have both very similar gene expression maps and very similar gene functions respectively to their corresponding gene ontologies. The cellular component ontology resulted in prominent clusters expressed in cortex and corpus callosum. The molecular function ontology gave prominent clusters in cortex, corpus callosum and hypothalamus. The biological process ontology resulted in clusters in cortex, hypothalamus and choroid plexus. Clusters from all three ontologies combined were most prominently expressed in

  16. Sci—Fri AM: Mountain — 04: Label-free Raman spectroscopy of single tumour cells detects early radiation-induced glycogen synthesis associated with increased radiation resistance

    International Nuclear Information System (INIS)

    Matthews, Q; Lum, JJ; Isabelle, M; Harder, S; Jirasek, A; Brolo, AG

    2014-01-01

    Purpose: To use label-free Raman spectroscopy (RS) for early treatment monitoring of tumour cell radioresistance. Methods: Three human tumour cell lines, two radioresistant (H460, SF 2 = 0.57 and MCF7, SF 2 = 0.70) and one radiosensitive (LNCaP, SF 2 = 0.36), were irradiated with single fractions of 2, 4, 6, 8 or 10 Gy. In additional experiments, H460 and MCF7 cells were irradiated under co-treatment with the anti-diabetic drug metformin, a known radiosensitizing agent. Treated and control cultures were analyzed with RS daily for 3 days post-treatment. Single-cell Raman spectra were acquired from 20 live cells per sample, and experiments were repeated in triplicate. The combined data sets were analyzed with principal component analysis using standard algorithms. Cells from each culture were also subjected to standard assays for viability, proliferation, cell cycle, and radiation clonogenic survival. Results: The radioresistant cells (H460, MCF7) exhibited a RS molecular radiation response signature, detectable as early as 1 day post-treatment, of which radiation-induced glycogen synthesis is a significant contributor. The radiosensitive cells (LNCaP) exhibited negligible glycogen synthesis. Co-treatment with metformin in MCF7 cells blocked glycogen synthesis, reduced viability and proliferation, and increased radiosensitivity. Conversely, metformin co-treatment in H460 cells did not produce these same effects; importantly, both radiation-induced synthesis of glycogen and radiosensitivity were unaffected. Conclusions: Label-free RS can detect early glycogen synthesis post-irradiation, a previously undocumented metabolic mechanism associated with tumour cell radioresistance that can be targeted to increase radiosensitivity. RS monitoring of intratumoral glycogen may provide new opportunities for personalized combined modality radiotherapy treatments

  17. Laser desorption single-conformation UV and IR spectroscopy of the sulfonamide drug sulfanilamide, the sulfanilamide-water complex, and the sulfanilamide dimer.

    Science.gov (United States)

    Uhlemann, Thomas; Seidel, Sebastian; Müller, Christian W

    2017-06-07

    We have studied the conformational preferences of the sulfonamide drug sulfanilamide, its dimer, and its monohydrated complex through laser desorption single-conformation UV and IR spectroscopy in a molecular beam. Based on potential energy curves for the inversion of the anilinic and the sulfonamide NH 2 groups calculated at DFT level, we suggest that the zero-point level wave function of the sulfanilamide monomer is appreciably delocalized over all four conformer wells. The sulfanilamide dimer, and the monohydrated complex each exhibit a single isomer in the molecular beam. The isomeric structures of the sulfanilamide dimer and the monohydrated sulfanilamide complex were assigned based on their conformer-specific IR spectra in the NH and OH stretch region. Quantum Theory of Atoms in Molecules (QTAIM) analysis of the calculated electron density in the water complex suggests that the water molecule is bound side-on in a hydrogen bonding pocket, donating one O-HO[double bond, length as m-dash]S hydrogen bond and accepting two hydrogen bonds, a NHO and a CHO hydrogen bond. QTAIM analysis of the dimer electron density suggests that the C i symmetry dimer structure exhibits two dominating N-HO[double bond, length as m-dash]S hydrogen bonds, and three weaker types of interactions: two CHO bonds, two CHN bonds, and a chalcogen OO interaction. Most interestingly, the molecular beam dimer structure closely resembles the R dimer unit - the dimer unit with the greatest interaction energy - of the α, γ, and δ crystal polymorphs. Interacting Quantum Atoms analysis provides evidence that the total intermolecular interaction in the dimer is dominated by the short-range exchange-correlation contribution.

  18. Sci—Fri AM: Mountain — 04: Label-free Raman spectroscopy of single tumour cells detects early radiation-induced glycogen synthesis associated with increased radiation resistance

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, Q; Lum, JJ [BC Cancer Agency — Vancouver Island Centre (Canada); Isabelle, M; Harder, S; Jirasek, A [Physics and Astronomy, University of Victoria (Australia); Brolo, AG [Chemistry, University of Victoria (Australia)

    2014-08-15

    Purpose: To use label-free Raman spectroscopy (RS) for early treatment monitoring of tumour cell radioresistance. Methods: Three human tumour cell lines, two radioresistant (H460, SF{sub 2} = 0.57 and MCF7, SF{sub 2} = 0.70) and one radiosensitive (LNCaP, SF{sub 2} = 0.36), were irradiated with single fractions of 2, 4, 6, 8 or 10 Gy. In additional experiments, H460 and MCF7 cells were irradiated under co-treatment with the anti-diabetic drug metformin, a known radiosensitizing agent. Treated and control cultures were analyzed with RS daily for 3 days post-treatment. Single-cell Raman spectra were acquired from 20 live cells per sample, and experiments were repeated in triplicate. The combined data sets were analyzed with principal component analysis using standard algorithms. Cells from each culture were also subjected to standard assays for viability, proliferation, cell cycle, and radiation clonogenic survival. Results: The radioresistant cells (H460, MCF7) exhibited a RS molecular radiation response signature, detectable as early as 1 day post-treatment, of which radiation-induced glycogen synthesis is a significant contributor. The radiosensitive cells (LNCaP) exhibited negligible glycogen synthesis. Co-treatment with metformin in MCF7 cells blocked glycogen synthesis, reduced viability and proliferation, and increased radiosensitivity. Conversely, metformin co-treatment in H460 cells did not produce these same effects; importantly, both radiation-induced synthesis of glycogen and radiosensitivity were unaffected. Conclusions: Label-free RS can detect early glycogen synthesis post-irradiation, a previously undocumented metabolic mechanism associated with tumour cell radioresistance that can be targeted to increase radiosensitivity. RS monitoring of intratumoral glycogen may provide new opportunities for personalized combined modality radiotherapy treatments.

  19. Interactions of Histone Acetyltransferase p300 with the Nuclear Proteins Histone and HMGB1, As Revealed by Single Molecule Atomic Force Spectroscopy.

    Science.gov (United States)

    Banerjee, S; Rakshit, T; Sett, S; Mukhopadhyay, R

    2015-10-22

    One of the important properties of the transcriptional coactivator p300 is histone acetyltransferase (HAT) activity that enables p300 to influence chromatin action via histone modulation. p300 can exert its HAT action upon the other nuclear proteins too--one notable example being the transcription-factor-like protein HMGB1, which functions also as a cytokine, and whose accumulation in the cytoplasm, as a response to tissue damage, is triggered by its acetylation. Hitherto, no information on the structure and stability of the complexes between full-length p300 (p300FL) (300 kDa) and the histone/HMGB1 proteins are available, probably due to the presence of unstructured regions within p300FL that makes it difficult to be crystallized. Herein, we have adopted the high-resolution atomic force microscopy (AFM) approach, which allows molecularly resolved three-dimensional contour mapping of a protein molecule of any size and structure. From the off-rate and activation barrier values, obtained using single molecule dynamic force spectroscopy, the biochemical proposition of preferential binding of p300FL to histone H3, compared to the octameric histone, can be validated. Importantly, from the energy landscape of the dissociation events, a model for the p300-histone and the p300-HMGB1 dynamic complexes that HAT forms, can be proposed. The lower unbinding forces of the complexes observed in acetylating conditions, compared to those observed in non-acetylating conditions, indicate that upon acetylation, p300 tends to weakly associate, probably as an outcome of charge alterations on the histone/HMGB1 surface and/or acetylation-induced conformational changes. To our knowledge, for the first time, a single molecule level treatment of the interactions of HAT, where the full-length protein is considered, is being reported.

  20. Attention enhances multi-voxel representation of novel objects in frontal, parietal and visual cortices.

    Science.gov (United States)

    Woolgar, Alexandra; Williams, Mark A; Rich, Anina N

    2015-04-01

    Selective attention is fundamental for human activity, but the details of its neural implementation remain elusive. One influential theory, the adaptive coding hypothesis (Duncan, 2001, An adaptive coding model of neural function in prefrontal cortex, Nature Reviews Neuroscience 2:820-829), proposes that single neurons in certain frontal and parietal regions dynamically adjust their responses to selectively encode relevant information. This selective representation may in turn support selective processing in more specialized brain regions such as the visual cortices. Here, we use multi-voxel decoding of functional magnetic resonance images to demonstrate selective representation of attended--and not distractor--objects in frontal, parietal, and visual cortices. In addition, we highlight a critical role for task demands in determining which brain regions exhibit selective coding. Strikingly, representation of attended objects in frontoparietal cortex was highest under conditions of high perceptual demand, when stimuli were hard to perceive and coding in early visual cortex was weak. Coding in early visual cortex varied as a function of attention and perceptual demand, while coding in higher visual areas was sensitive to the allocation of attention but robust to changes in perceptual difficulty. Consistent with high-profile reports, peripherally presented objects could also be decoded from activity at the occipital pole, a region which corresponds to the fovea. Our results emphasize the flexibility of frontoparietal and visual systems. They support the hypothesis that attention enhances the multi-voxel representation of information in the brain, and suggest that the engagement of this attentional mechanism depends critically on current task demands. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Voxel Based Analysis of Surgical Revascularization for Moyamoya Disease: Pre- and Postoperative SPECT Studies.

    Directory of Open Access Journals (Sweden)

    Yasutaka Fushimi

    Full Text Available Moyamoya disease (MMD is a chronic, progressive, cerebrovascular occlusive disease that causes abnormal enlargement of collateral pathways (moyamoya vessels in the region of the basal ganglia and thalamus. Cerebral revascularization procedures remain the preferred treatment for patients with MMD, improving the compromised cerebral blood flow (CBF. However, voxel based analysis (VBA of revascularization surgery for MMD based on data from pre- and postoperative data has not been established. The latest algorithm called as Diffeomorphic Anatomical Registration Through Exponentiated Lie Algebra (DARTEL has been introduced for VBA as the function of statistical parametric mapping (SPM8, and improved registration has been achieved by SPM8 with DARTEL. In this study, VBA was conducted to evaluate pre- and postoperative single photon emission computed tomography (SPECT images for MMD by SPM8 with DARTEL algorithm, and the results were compared with those from SPM8 without DARTEL (a conventional method. Thirty-two patients with MMD who underwent superficial temporal artery-middle cerebral artery (STA-MCA bypass surgery as the first surgery were included and all patients underwent pre- and postoperative 3D T1-weighted imaging and SPECT. Pre- and postoperative SPECT images were registered to 3D T1-weighted images, then VBA was conducted. Postoperative SPECT showed more statistically increased CBF areas in the bypassed side cerebral hemisphere by using SPM8 with DARTEL (58,989 voxels; P<0.001, and increased ratio of CBF after operation was less than 15%. Meanwhile, postoperative SPECT showed less CBF increased areas by SPM8 without DARTEL. In conclusion, VBA was conducted for patients with MMD, and SPM8 with DARTEL revealed that postoperative SPECT showed statistically significant CBF increases over a relatively large area and with at most 15% increase ratio.

  2. Application of multivariate chemometric techniques for simultaneous determination of five parameters of cottonseed oil by single bounce attenuated total reflectance Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Talpur, M Younis; Kara, Huseyin; Sherazi, S T H; Ayyildiz, H Filiz; Topkafa, Mustafa; Arslan, Fatma Nur; Naz, Saba; Durmaz, Fatih; Sirajuddin

    2014-11-01

    Single bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy in conjunction with chemometrics was used for accurate determination of free fatty acid (FFA), peroxide value (PV), iodine value (IV), conjugated diene (CD) and conjugated triene (CT) of cottonseed oil (CSO) during potato chips frying. Partial least square (PLS), stepwise multiple linear regression (SMLR), principal component regression (PCR) and simple Beer׳s law (SBL) were applied to develop the calibrations for simultaneous evaluation of five stated parameters of cottonseed oil (CSO) during frying of French frozen potato chips at 170°C. Good regression coefficients (R(2)) were achieved for FFA, PV, IV, CD and CT with value of >0.992 by PLS, SMLR, PCR, and SBL. Root mean square error of prediction (RMSEP) was found to be less than 1.95% for all determinations. Result of the study indicated that SB-ATR FTIR in combination with multivariate chemometrics could be used for accurate and simultaneous determination of different parameters during the frying process without using any toxic organic solvent. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Temperature-dependent Raman spectroscopy studies of the interface coupling effect of monolayer ReSe2 single crystals on Au foils

    Science.gov (United States)

    Jiang, Shaolong; Zhao, Liyun; Shi, Yuping; Xie, Chunyu; Zhang, Na; Zhang, Zhepeng; Huan, Yahuan; Yang, Pengfei; Hong, Min; Zhou, Xiebo; Shi, Jianping; Zhang, Qing; Zhang, Yanfeng

    2018-05-01

    Rhenium diselenide (ReSe2), which bears in-plane anisotropic optical and electrical properties, is of considerable interest for its excellent applications in novel devices, such as polarization-sensitive photodetectors and integrated polarization-controllers. However, great challenges to date in the controllable synthesis of high-quality ReSe2 have hindered its in-depth investigations and practical applications. Herein, we report a feasible synthesis of monolayer single-crystal ReSe2 flakes on the Au foil substrate by using a chemical vapor deposition route. Particularly, we focus on the temperature-dependent Raman spectroscopy investigations of monolayer ReSe2 grown on Au foils, which present concurrent red shifts of Eg-like and Ag-like modes with increasing measurement temperature from 77–290 K. Linear temperature dependences of both modes are revealed and explained from the anharmonic vibration of the ReSe2 lattice. More importantly, the strong interaction of ReSe2 with Au, with respect to that with SiO2/Si, is further confirmed by temperature-dependent Raman characterization. This work is thus proposed to shed light on the optical and thermal properties of such anisotropic two-dimensional three-atom-thick materials.

  4. Proline adsorption on TiO 2(1 1 0) single crystal surface: A study by high resolution photoelectron spectroscopy

    Science.gov (United States)

    Fleming, G. J.; Adib, K.; Rodriguez, J. A.; Barteau, M. A.; Idriss, H.

    2007-12-01

    The surface chemistry and binding of DL-proline were investigated on the oxidised (stoichiometric) and reduced (sub-stoichiometric) TiO 2(1 1 0) single crystal surfaces. TiO 2 was chosen as the substrate as it best represents the surface of a biomedical implant, which bio-molecules interact with during the healing of bone/teeth fractures (molecular recognition). High resolution X-ray photoelectron spectroscopy (HR-XPS) studies of the C1s and N1s regions revealed that DL-proline is present in two forms (dissociated and zwitterionic) on the oxidised TiO 2 surface. On TiO 2(1 1 0) surfaces reduced by Ar + sputtering, a significant increase in the amount of zwitterionic proline at the surface was detected when compared with the oxidised surface. Study of the temperature effect showed that in both cases the zwitterionic structure was the less stable structure. The reason for its relative instability appears to be thermodynamic.

  5. Advanced MRI increases the diagnostic accuracy of recurrent glioblastoma: Single institution thresholds and validation of MR spectroscopy and diffusion weighted MR imaging

    Directory of Open Access Journals (Sweden)

    Tomas Kazda

    2016-01-01

    Full Text Available The accurate identification of glioblastoma progression remains an unmet clinical need. The aim of this prospective single-institutional study is to determine and validate thresholds for the main metabolite concentrations obtained by MR spectroscopy (MRS and the values of the apparent diffusion coefficient (ADC to enable distinguishing tumor recurrence from pseudoprogression. Thirty-nine patients after the standard treatment of a glioblastoma underwent advanced imaging by MRS and ADC at the time of suspected recurrence — median time to progression was 6.7 months. The highest significant sensitivity and specificity to call the glioblastoma recurrence was observed for the total choline (tCho to total N-acetylaspartate (tNAA concentration ratio with the threshold ≥1.3 (sensitivity 100.0% and specificity 94.7%. The ADCmean value higher than 1313 × 10−6 mm2/s was associated with the pseudoprogression (sensitivity 98.3%, specificity 100.0%. The combination of MRS focused on the tCho/tNAA concentration ratio and the ADCmean value represents imaging methods applicable to early non-invasive differentiation between a glioblastoma recurrence and a pseudoprogression. However, the institutional definition and validation of thresholds for differential diagnostics is needed for the elimination of setup errors before implementation of these multimodal imaging techniques into clinical practice, as well as into clinical trials.

  6. Hydrogenation of the alpha,beta-Unsaturated Aldehydes Acrolein, Crotonaldehyde, and Prenal over Pt Single Crystals: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study

    Energy Technology Data Exchange (ETDEWEB)

    Kliewer, C.J.; Somorjai, G.A.

    2008-11-26

    Sum-frequency generation vibrational spectroscopy (SFG-VS) and kinetic measurements using gas chromatography have been used to study the surface reaction intermediates during the hydrogenation of three {alpha},{beta}-unsaturated aldehydes, acrolein, crotonaldehyde, and prenal, over Pt(111) at Torr pressures (1 Torr aldehyde, 100 Torr hydrogen) in the temperature range of 295K to 415K. SFG-VS data showed that acrolein has mixed adsorption species of {eta}{sub 2}-di-{sigma}(CC)-trans, {eta}{sub 2}-di-{sigma}(CC)-cis as well as highly coordinated {eta}{sub 3} or {eta}{sub 4} species. Crotonaldehyde adsorbed to Pt(111) as {eta}{sub 2} surface intermediates. SFG-VS during prenal hydrogenation also suggested the presence of the {eta}{sub 2} adsorption species, and became more highly coordinated as the temperature was raised to 415K, in agreement with its enhanced C=O hydrogenation. The effect of catalyst surface structure was clarified by carrying out the hydrogenation of crotonaldehyde over both Pt(111) and Pt(100) single crystals while acquiring the SFG-VS spectra in situ. Both the kinetics and SFG-VS showed little structure sensitivity. Pt(100) generated more decarbonylation 'cracking' product while Pt(111) had a higher selectivity for the formation of the desired unsaturated alcohol, crotylalcohol.

  7. Thin-film morphology of inkjet-printed single-droplet organic transistors using polarized Raman spectroscopy: effect of blending TIPS-pentacene with insulating polymer.

    Science.gov (United States)

    James, David T; Kjellander, B K Charlotte; Smaal, Wiljan T T; Gelinck, Gerwin H; Combe, Craig; McCulloch, Iain; Wilson, Richard; Burroughes, Jeremy H; Bradley, Donal D C; Kim, Ji-Seon

    2011-12-27

    We report thin-film morphology studies of inkjet-printed single-droplet organic thin-film transistors (OTFTs) using angle-dependent polarized Raman spectroscopy. We show this to be an effective technique to determine the degree of molecular order as well as to spatially resolve the orientation of the conjugated backbones of the 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-Pentacene) molecules. The addition of an insulating polymer, polystyrene (PS), does not disrupt the π-π stacking of the TIPS-Pentacene molecules. Blending in fact improves the uniformity of the molecular morphology and the active layer coverage within the device and reduces the variation in molecular orientation between polycrystalline domains. For OTFT performance, blending enhances the saturation mobility from 0.22 ± 0.05 cm(2)/(V·s) (TIPS-Pentacene) to 0.72 ± 0.17 cm(2)/(V·s) (TIPS-Pentacene:PS) in addition to improving the quality of the interface between TIPS-Pentacene and the gate dielectric in the channel, resulting in threshold voltages of ∼0 V and steep subthreshold slopes.

  8. Dynamics of Charged Excitons and Biexcitons in CsPbBr3 Perovskite Nanocrystals Revealed by Femtosecond Transient-Absorption and Single-Dot Luminescence Spectroscopy.

    Science.gov (United States)

    Yarita, Naoki; Tahara, Hirokazu; Ihara, Toshiyuki; Kawawaki, Tokuhisa; Sato, Ryota; Saruyama, Masaki; Teranishi, Toshiharu; Kanemitsu, Yoshihiko

    2017-04-06

    Metal-halide perovskite nanocrystals (NCs) are promising photonic materials for use in solar cells, light-emitting diodes, and lasers. The optoelectronic properties of these devices are determined by the excitons and exciton complexes confined in their NCs. In this study, we determined the relaxation dynamics of charged excitons and biexcitons in CsPbBr 3 NCs using femtosecond transient-absorption (TA), time-resolved photoluminescence (PL), and single-dot second-order photon correlation spectroscopy. Decay times of ∼40 and ∼200 ps were obtained from the TA and PL decay curves for biexcitons and charged excitons, respectively, in NCs with an average edge length of 7.7 nm. The existence of charged excitons even under weak photoexcitation was confirmed by the second-order photon correlation measurements. We found that charged excitons play a dominant role in luminescence processes of CsPbBr 3 NCs. Combining different spectroscopic techniques enabled us to clarify the dynamical behaviors of excitons, charged excitons, and biexcitons.

  9. Metabolic changes in the normal ageing brain: Consistent findings from short and long echo time proton spectroscopy

    International Nuclear Information System (INIS)

    Gruber, S.; Pinker, K.; Riederer, F.; Chmelik, M.; Stadlbauer, A.; Bittsansky, M.; Mlynarik, V.; Frey, R.; Serles, W.; Bodamer, O.; Moser, E.

    2008-01-01

    Objectives: Sixty three healthy subjects were measured to assess dependence of brain metabolites on age using short- and long echo time spectroscopy in different brain regions. Material and methods: Younger and elderly humans were measured with long echo time (TE = 135 ms) 3D-MR-spectroscopic imaging (MRSI) (10 subjects) and with ultra-short echo (TE = 11 ms) time 2D-MRSI (7 subjects). In addition, results from single voxel 1 H-spectroscopy (TE = 20 ms) of two cohorts of 46 healthy subjects were retrospectively correlated with age. Results: 3D-MR SI revealed reduced NAA/Cr in the older group in the frontal lobe (-22%; p < 0.01), parietal lobe (-28%; p < 0.01) and semiovale (-9%; p < 0.01) compared to the younger group. Cho/Cr was elevated in the semiovale (+35%; p < 0.01) and in the n. lentiformis (+42%; p < 0.01) in the older group. NAA/Cho was reduced in all regions measured, except the thalamus, in the older group compared to the younger group (from -21 to -49%; p < 0.01). 2D-MRSI revealed decreased total NAA (-3.1% per decade; p < 0.01) and NAA/Cr (-3.8% per decade; p < 0.01), increased total Cho (+3.6% per decade; p < 0.01) and Cho/Cr (+4.6% per decade; p < 0.01) and increased total myo-Inositol (mI, +4.7% per decade; p < 0.01) and mI/Cr (+5.4% per decade; p < 0.01) and decreased NAA/Cho (-8% per decade; p < 0.01) in semiovale WM. Results from single voxel spectroscopy revealed a significantly negative correlation of NAA/Cho in frontal (-13% per decade; p < 0.01) and in temporal lobe (-7.4% per decade; p < 0.01) as well as increased total Cr (10% per decade; p < 0.01) in frontal lobe. Other results from single voxel measurements were not significant, but trends were comparable to that from multivoxel spectroscopy. Conclusion: Age-related changes measured with long echo time and short echo time 1H-MRS were comparable and cannot, therefore, be caused by different T2 relaxation times in young and old subjects, as suggested previously

  10. Connecting horizon pixels and interior voxels of a black hole

    International Nuclear Information System (INIS)

    Nicolini, Piero; Singleton, Douglas

    2014-01-01

    In this paper we discuss to what extent one can infer details of the interior structure of a black hole based on its horizon. Recalling that black hole thermal properties are connected to the non-classical nature of gravity, we circumvent the restrictions of the no-hair theorem by postulating that the black hole interior is singularity free due to violations of the usual energy conditions. Further these conditions allow one to establish a one-to-one, holographic projection between Planckian areal “bits” on the horizon and “voxels”, representing the gravitational degrees of freedom in the black hole interior. We illustrate the repercussions of this idea by discussing an example of the black hole interior consisting of a de Sitter core postulated to arise from the local graviton quantum vacuum energy. It is shown that the black hole entropy can emerge as the statistical entropy of a gas of voxels

  11. Effects of image distortion correction on voxel-based morphometry

    International Nuclear Information System (INIS)

    Goto, Masami; Abe, Osamu; Kabasawa, Hiroyuki

    2012-01-01

    We aimed to show that correcting image distortion significantly affects brain volumetry using voxel-based morphometry (VBM) and to assess whether the processing of distortion correction reduces system dependency. We obtained contiguous sagittal T 1 -weighted images of the brain from 22 healthy participants using 1.5- and 3-tesla magnetic resonance (MR) scanners, preprocessed images using Statistical Parametric Mapping 5, and tested the relation between distortion correction and brain volume using VBM. Local brain volume significantly increased or decreased on corrected images compared with uncorrected images. In addition, the method used to correct image distortion for gradient nonlinearity produced fewer volumetric errors from MR system variation. This is the first VBM study to show more precise volumetry using VBM with corrected images. These results indicate that multi-scanner or multi-site imaging trials require correction for distortion induced by gradient nonlinearity. (author)

  12. Development of prostate voxel models for brachytherapy treatment

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Adriano M.; Reis, Lucas P.; Grynberg, Suely E., E-mail: amsantos@cdtn.b [Center for Development of Nuclear Technology (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2011-07-01

    The tools developed recently in the areas of computer graphics and animation movies to computer games allow the creation of new voxel anthropomorphic phantoms with better resolution and thus, more anatomical details. These phantoms can be used in nuclear applications, especially in radiation protection for estimating doses in cases of occupational or accidental radioactive incidents, and in medical and biological applications. For dose estimates, the phantoms are coupled to a Monte Carlo code, which will be responsible for the transport of radiation in this environment. This study aimed to develop a computational tool to estimate the isodose curves in the prostate after brachytherapy seed implants. For this, we have created a model called FANTPROST in the shape of a 48 mm side cube, with a standard prostate inserted in the center of this cube with different distributions of brachytherapy seeds in this volume. The prostate, according to this model, was obtained from the phantom voxels MASH2 developed by Numerical Dosimetry Group, Department of Nuclear Energy - Federal University of Pernambuco. The modeling of the seeds, added to FANTPROST, was done through the use of geometric information of Iodine-125 Amersham 6711 commercial seed. The simulations were performed by the code MCNP5 for spatial distributions containing different amounts of seeds within the FANTPROST. The obtained curves allowed an estimation of the behavior of the maximum dose that decreases with distance, showing that this tool can be used for a more accurate analysis of the effects produced by the presence of such seeds in the prostate and its vicinity. (author)

  13. Creation of a voxel phantom of the ICRP reference crab.

    Science.gov (United States)

    Caffrey, E A; Higley, K A

    2013-06-01

    The International Commission on Radiological Protection (ICRP) has modeled twelve reference animal and plant (RAP) species using simple geometric shapes in Monte-Carlo (MCNP) based simulations. The focus has now shifted to creating voxel phantoms of each RAP in order to estimate doses to biota with a higher degree of confidence. This paper describes the creation of a voxel model of a Dungeness crab from CT images with shell, gills, gonads, hepatopancreas, and heart identified and segmented. Absorbed fractions were tabulated for each organ as a source and target at twelve photon and nine electron energies: 0.01, 0.015, 0.02, 0.03, 0.05, 0.1, 0.2, 0.5, 1.0, 1.5, 2.0, and 4.0 MeV for photons and 0.1, 0.2, 0.4, 0.5, 0.7, 1.0, 1.5, 2.0 and 4.0 MeV for electrons. AFs whose error exceeded 5% are marked with an underline in the data tables; AFs whose error was higher than 10% were excluded, and are shown in the tabulated data as a dashed line. A representative sample of the data is shown in Figs. 3-8; the entire data set is available as an electronic appendix. The results are consistent with previous small organism studies (Kinase, 2008; Stabin et al., 2006), and suggest that AF values are highly dependent on source organ location and mass. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. In vivo proton magnetic resonance spectroscopy (1H-MRS) evaluation of the metabolite concentration of optic radiation in primary open angle glaucoma

    Energy Technology Data Exchange (ETDEWEB)

    Sidek, Sabrilhakim [University of Malaya, Department of Biomedical Imaging, University Malaya Research Imaging Centre (UMRIC), Kuala Lumpur (Malaysia); Universiti Teknologi MARA, Medical Imaging Unit, Faculty of Medicine, Sg Buloh, Selangor (Malaysia); Ramli, Norlisah; Rahmat, Kartini; Kuo, Tan Li [University of Malaya, Department of Biomedical Imaging, University Malaya Research Imaging Centre (UMRIC), Kuala Lumpur (Malaysia); Ramli, Norlina Mohd; Abdulrahman, Fadzlina [University of Malaya, Department of Ophthalmology, Faculty of Medicine, Kuala Lumpur (Malaysia)

    2016-12-15

    To compare the metabolite concentration of optic radiation in glaucoma patients with that of healthy subjects using Proton Magnetic Resonance Spectroscopy (1H-MRS). 1H-MRS utilising the Single-Voxel Spectroscopy (SVS) technique was performed using a 3.0Tesla MRI on 45 optic radiations (15 from healthy subjects, 15 from mild glaucoma patients, and 15 from severe glaucoma patients). A standardised Volume of Interest (VOI) of 20 x 20 x 20 mm was placed in the region of optic radiation. Mild and severe glaucoma patients were categorised based on the Hodapp-Parrish-Anderson (HPA) classification. Mean and multiple group comparisons for metabolite concentration and metabolite concentration ratio between glaucoma grades and healthy subjects were obtained using one-way ANOVA. The metabolite concentration and metabolite concentration ratio between the optic radiations of glaucoma patients and healthy subjects did not demonstrate any significant difference (p > 0.05). Our findings show no significant alteration of metabolite concentration associated with neurodegeneration that could be measured by single-voxel 1H-MRS in optic radiation among glaucoma patients. (orig.)

  15. Regeneration of LOHC dehydrogenation catalysts: In-situ IR spectroscopy on single crystals, model catalysts, and real catalysts from UHV to near ambient pressure

    International Nuclear Information System (INIS)

    Amende, Max; Kaftan, Andre; Bachmann, Philipp; Brehmer, Richard; Preuster, Patrick; Koch, Marcus

    2016-01-01

    Graphical abstract: - Highlights: • We examine the regeneration of Pt-based catalysts poisoned by LOHC degradation. • A microscopic mechanism of the removal of degradation products from Pt is proposed. • Results of our UHV studies on model catalysts are transferred to real catalysis. • Oxidative regeneration of Pt/alumina is possible under mild conditions (600 K). • The degree and temperature regime of regeneration depends on the catalyst morphology. - Abstract: The Liquid Organic Hydrogen Carrier (LOHC) concept offers an efficient route to store hydrogen using organic compounds that are reversibly hydrogenated and dehydrogenated. One important challenge towards application of the LOHC technology at a larger scale is to minimize degradation of Pt-based dehydrogenation catalysts during long-term operation. Herein, we investigate the regeneration of Pt/alumina catalysts poisoned by LOHC degradation. We combine ultrahigh vacuum (UHV) studies on Pt(111), investigations on well-defined Pt/Al_2O_3 model catalysts, and near-ambient pressure (NAP) measurements on real core–shell Pt/Al_2O_3 catalyst pellets. The catalysts were purposely poisoned by reaction with the LOHC perhydro-dibenzyltoluene (H18-MSH) and with dicyclohexylmethane (DCHM) as a simpler model compound. We focus on oxidative regeneration under conditions that may be applied in real dehydrogenation reactors. The degree of poisoning and regeneration under oxidative reaction conditions was quantified using CO as a probe molecule and measured by infrared reflection-absorption spectroscopy (IRAS) and diffuse reflectance Fourier transform IR spectroscopy (DRIFTS) for planar model systems and real catalysts, respectively. We find that regeneration strongly depends on the composition of the catalyst surface. While the clean surface of a poisoned Pt(111) single crystal is fully restored upon thermal treatment in oxygen up to 700 K, contaminated Pt/Al_2O_3 model catalyst and core–shell pellet were only

  16. Regeneration of LOHC dehydrogenation catalysts: In-situ IR spectroscopy on single crystals, model catalysts, and real catalysts from UHV to near ambient pressure

    Energy Technology Data Exchange (ETDEWEB)

    Amende, Max, E-mail: max.amende@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Kaftan, Andre, E-mail: andre.kaftan@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Bachmann, Philipp, E-mail: philipp.bachmann@fau.de [Lehrstuhl für Physikalische Chemie II, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Brehmer, Richard, E-mail: richard.brehmer@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Preuster, Patrick, E-mail: patrick.preuster@fau.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); Koch, Marcus, E-mail: marcus.koch@crt.cbi.uni-erlangen.de [Lehrstuhl für Chemische Reaktionstechnik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Egerlandstr. 3, 91058 Erlangen (Germany); and others

    2016-01-01

    Graphical abstract: - Highlights: • We examine the regeneration of Pt-based catalysts poisoned by LOHC degradation. • A microscopic mechanism of the removal of degradation products from Pt is proposed. • Results of our UHV studies on model catalysts are transferred to real catalysis. • Oxidative regeneration of Pt/alumina is possible under mild conditions (600 K). • The degree and temperature regime of regeneration depends on the catalyst morphology. - Abstract: The Liquid Organic Hydrogen Carrier (LOHC) concept offers an efficient route to store hydrogen using organic compounds that are reversibly hydrogenated and dehydrogenated. One important challenge towards application of the LOHC technology at a larger scale is to minimize degradation of Pt-based dehydrogenation catalysts during long-term operation. Herein, we investigate the regeneration of Pt/alumina catalysts poisoned by LOHC degradation. We combine ultrahigh vacuum (UHV) studies on Pt(111), investigations on well-defined Pt/Al{sub 2}O{sub 3} model catalysts, and near-ambient pressure (NAP) measurements on real core–shell Pt/Al{sub 2}O{sub 3} catalyst pellets. The catalysts were purposely poisoned by reaction with the LOHC perhydro-dibenzyltoluene (H18-MSH) and with dicyclohexylmethane (DCHM) as a simpler model compound. We focus on oxidative regeneration under conditions that may be applied in real dehydrogenation reactors. The degree of poisoning and regeneration under oxidative reaction conditions was quantified using CO as a probe molecule and measured by infrared reflection-absorption spectroscopy (IRAS) and diffuse reflectance Fourier transform IR spectroscopy (DRIFTS) for planar model systems and real catalysts, respectively. We find that regeneration strongly depends on the composition of the catalyst surface. While the clean surface of a poisoned Pt(111) single crystal is fully restored upon thermal treatment in oxygen up to 700 K, contaminated Pt/Al{sub 2}O{sub 3} model catalyst and

  17. Alderson-Rando phantom 'voxelization' for use in numerical dosimetry

    International Nuclear Information System (INIS)

    Santos, A.M.; Vieira, J.W.

    2008-01-01

    This paper presents the methodology used for creating a voxel phantom from the tomographic physical Alderson-Rando phantom images (HR) and to develop a computer model formed by exposure of the resulting phantom 'voxelization' of AR coupled to the Monte Carlo code EGS4 plus algorithms to simulate radioactive sources in internal dosimetry

  18. Electron spectroscopy

    International Nuclear Information System (INIS)

    Hegde, M.S.

    1979-01-01

    An introduction to the various techniques in electron spectroscopy is presented. These techniques include: (1) UV Photoelectron spectroscopy, (2) X-ray Photoelectron spectroscopy, (3) Auger electron spectroscopy, (4) Electron energy loss spectroscopy, (5) Penning ionization spectroscopy and (6) Ion neutralization spectroscopy. The radiations used in each technique, the basis of the technique and the special information obtained in structure determination in atoms and molecules by each technique are summarised. (A.K.)

  19. Combining voxel-based morphometry and diffusion tensor imaging to detect age-related brain changes.

    Science.gov (United States)

    Lehmbeck, Jan T; Brassen, Stefanie; Weber-Fahr, Wolfgang; Braus, Dieter F

    2006-04-03

    The present study combined optimized voxel-based morphometry and diffusion tensor imaging to detect age-related brain changes. We compared grey matter density maps (grey matter voxel-based morphometry) and white matter fractional anisotropy maps (diffusion tensor imaging-voxel-based morphometry) between two groups of 17 younger and 17 older women. Older women exhibited reduced white matter fractional anisotropy as well as decreased grey matter density most prominently in the frontal, limbic, parietal and temporal lobes. A discriminant analysis identified four frontal and limbic grey and white matter areas that separated the two groups most effectively. We conclude that grey matter voxel-based morphometry and diffusion tensor imaging voxel-based morphometry are well suited for the detection of age-related changes and their combination provides high accuracy when detecting the neural correlates of aging.

  20. Development of Japanese voxel models and their application to organ dose calculation

    International Nuclear Information System (INIS)

    Sato, Kaoru; Endo, Akira; Saito, Kimiaki

    2007-01-01

    Three Japanese voxel (volume pixel) phantoms in supine and upright postures, which are consisted of about 1 mm 3 size voxels, have been developed on the basis of computed tomography (CT) images of healthy Japanese adult male and female volunteers. Their body structures are reproduced more realistically in comparison with most existing voxel phantoms. Organ doses due to internal or external exposures were calculated using the developed phantoms. In estimation of radiation dose from radionuclides incorporated into body, specific absorbed fractions (SAFs) for low energy photon were significantly influenced by the changes in postures. In estimation of organ doses due to external exposures, the doses of some organs of the developed phantom were calculated and were compared with those of a previous Japanese voxel phantom (voxel size: 0.98x0.98x10 mm 3 ) and the reference values of ICRP Publication 74. (author)

  1. Voxel-by-voxel analysis of ECD-brain SPECT can separate penumbra from irreversibly damaged tissue at the acute phase of stroke

    International Nuclear Information System (INIS)

    Darcourt, J.; Migneco, O.; David, O.; Bussiere, F.; Mahagne, M.H.; Dunac, A.; Baron, J.C.

    2002-01-01

    Aim. At the acute phase of ischemic stroke, the target of treatment is still salvageable hypoperfused cerebral tissue; so called penumbra. We tested the possibility of separating on early ECD brain SPECT penumbral voxels (P) from irreversibly damaged damaged tissue (IDT). We used ECD which is not only a perfusion tracer but also a metabolic marker. Materials and methods. We prospectively studied 18 patients who underwent ECD-SPECT within the 12 hours following a first-ever acute middle cerebral artery stroke. Neurological evaluation was performed using the Orgogozo's scale at admission and 3 months later in order to calculate and evolution index (IE%) (Martinez-Vila et al.). SPECT data were obtained using a triple head camera equipped with fan beam collimators one hour after injection of 1000 MBq of 99mTc-ECD. On reconstructed images gray matter voxels were automatically segmented. Contralateral healthy hemisphere was used as reference leading to the identification of 3 cortical voxel types: normal (N-SPECT) above 80%; penumbra (P-SPECT) between 80% and 40% and IDT (IDT-SPECT) below 40%. 10 patients also underwent a T2 weighted 3D MRI study at 3 months. Cortical voxels with hypersignal served as reference for IDT (IDT-MRI) the others were considered normal (N-MRI). SPECT and MRI data were co-registered. Therefore each voxel belonged to one of 6 categories (3 SPECT x 2 MRI). Results. (1) The SPECT thresholds were validated on the MRI subgroup. 99% of the N-SPECT voxels were normal on late MRI. 84% of IDT-SPECT voxels corresponded to IDT-MRI. 89% of P-SPECT voxels were normal on late MRI and 11% corresponded to IDT on late MRI. Other categories of voxels (N-SPECT IDT-MRI and IDT-SPECT N-MRI) represented less than 5%. (2) Percentages of each voxel SPECT type was correlated with the EI% on the entire population (Spearman test). P-SPECT extent correlated with EI% improvement (p<0.001) and IDT-SPECT with EI% worsening (p<0.001). Conclusion. Analysis of ECD cortical

  2. Construction of a voxel model from CT images with density derived from CT numbers

    International Nuclear Information System (INIS)

    Cheng Mengyun; Zeng Qin; Cao Ruifen; Li Gui; Zheng Huaqing; Huang Shanqing; Song Gang; Wu Yican

    2010-01-01

    The voxel models representing human anatomy have been developed to calculate dose distribution in human body, while the density is the most important physical property of voxel model. Traditionally, when creating the Monte Carlo input files, the average tissue parameters recommended in ICRP report were used to assign each voxel in the existing voxel models. However, as each tissue consists of many voxels in which voxels are different in their densities, the method of assigning average tissue parameters doesn't take account of the voxel's discrepancy, and can't represent human anatomy faithfully. To represent human anatomy more faithfully, a method was implemented to assign each voxel, the density of which was derived from CT number. In order to compare with the traditional method, we have constructed two models from a same cadaver specimen date set. A CT-based pelvic voxel model called Pelvis-CT model, was constructed, the densities of which were derived from the CT numbers. A color photograph-based pelvic voxel model called Pelvis-Photo model, was also constructed, the densities of which were taken from ICRP Publication. The CT images and color photographs were obtained from the same female cadaver specimen. The Pelvis-CT and Pelvis-Photo models were ported into Monte Carlo code MCNP to calculate the conversion coefficients from kerma free-in-air to absorbed dose for external monoenergetic photon beams with energies of 0.1, 1 and 10 MeV under anterior-posterior (AP) geometries. The results were compared with those of given in ICRP74. Differences of up to 50% were observed between conversion coefficients of Pelvis-CT and Pelvis-Photo models, moreover the discrepancies decreased for the photon beams with higher energies. The overall trend of conversion coefficients of the Pelvis-CT model were agreed well with that of ICRP74 data. (author)

  3. Single molecule force spectroscopy for in-situ probing oridonin inhibited ROS-mediated EGF-EGFR interactions in living KYSE-150 cells.

    Science.gov (United States)

    Pi, Jiang; Jin, Hua; Jiang, Jinhuan; Yang, Fen; Cai, Huaihong; Yang, Peihui; Cai, Jiye; Chen, Zheng W

    2017-05-01

    As the active anticancer component of Rabdosia Rubescens, oridonin has been proved to show strong anticancer activity in cancer cells, which is also found to be closely related to its specific inhibition effects on the EGFR tyrosine kinase activity. In this study, atomic force microscopy based single molecule force spectroscopy (AFM-SMFS) was used for real-time and in-situ detection of EGF-EGFR interactions in living esophageal cancer KYSE-150 cells to evaluate the anticancer activity of oridonin for the first time. Oridonin was found to induce apoptosis and also reduce EGFR expression in KYSE-150 cells. AFM-SMFS results demonstrated that oridonin could inhibit the binding between EGF and EGFR in KYSE-150 cells by decreasing the unbinding force and binding probability for EGF-EGFR complexes, which was further proved to be closely associated with the intracellular ROS level. More precise mechanism studies based on AFM-SMFS demonstrated that oridonin treatment could decrease the energy barrier width, increase the dissociation off rate constant and decrease the activation energy of EGF-EGFR complexes in ROS dependent way, suggesting oridonin as a strong anticancer agent targeting EGF-EGFR interactions in cancer cells through ROS dependent mechanism. Our results not only suggested oridonin as a strong anticancer agent targeting EGF-EGFR interactions in ROS dependent mechanism, but also highlighted AFM-SMFS as a powerful technique for pharmacodynamic studies by detecting ligand-receptor interactions, which was also expected to be developed into a promising tool for the screening and mechanism studies of drugs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Effects of fluoxetine on the amygdala and the hippocampus after administration of a single prolonged stress to male Wistar rates: In vivo proton magnetic resonance spectroscopy findings.

    Science.gov (United States)

    Han, Fang; Xiao, Bing; Wen, Lili; Shi, Yuxiu

    2015-05-30

    Posttraumatic stress disorder (PTSD) is an anxiety- and memory-based disorder. The hippocampus and amygdala are key areas in mood regulation. Fluoxetine was found to improve the anxiety-related symptoms of PTSD patients. However, little work has directly examined the effects of fluoxetine on the hippocampus and the amygdala. In the present study, male Wistar rats received fluoxetine or vehicle after exposure to a single prolonged stress (SPS), an animal model of PTSD. In vivo proton magnetic resonance spectroscopy ((1)H-MRS) was performed -1, 1, 4, 7 and 14 days after SPS to examine the effects of fluoxetine on neurometabolite changes in amygdala, hippocampus and thalamus. SPS increased the N-acetylaspartate (NAA)/creatine (Cr) and choline moieties (Cho)/Cr ratios in the bilateral amygdala on day 4, decreased the NAA/Cr ratio in the left hippocampus on day 1, and increased both ratios in the right hippocampus on day 14. But no significant change was found in the thalamus. Fluoxetine treatment corrected the SPS increases in the NAA/Cr and Cho/Cr levels in the amygdala on day 4 and in the hippocampus on day 14, but it failed to normalise SPS-associated decreases in NAA/Cr levels in the left hippocampus on day 1. These results suggested that metabolic abnormalities in the amygdala and the hippocampus were involved in SPS, and different effects of fluoxetine in correcting SPS-induced neurometabolite changes among the three areas. These findings have implications for fluoxetine treatment in PTSD. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  5. Adults with attention-deficit/hyperactivity disorder - a brain magnetic resonance spectroscopy study

    DEFF Research Database (Denmark)

    Dramsdahl, Margaretha; Ersland, Lars; Plessen, Kerstin J

    2011-01-01

    Background: Impaired cognitive control in individuals with attention-deficit/hyperactivity disorder (ADHD) may be related to a prefrontal cortical glutamatergic deficit. We assessed the glutamate level in the left and the right midfrontal region including the anterior cingulate cortex in adults...... groups. Results: The ADHD group showed a significant reduction of Glu/Cre in the left midfrontal region compared to the controls. Conclusion: The reduction of Glu/Cre in the left midfrontal region in the ADHD group may reflect a glutamatergic deficit in prefrontal neuronal circuitry in adults with ADHD...... with ADHD and healthy controls. Methods: Twenty-nine adults with ADHD and 38 healthy controls were included. We used Proton Magnetic Resonance Imaging with single voxel point-resolved spectroscopy to measure the ratio of glutamate to creatine (Glu/Cre) in the left and the right midfrontal region in the two...

  6. Single-Fiber Reflectance Spectroscopy of Isotropic-Scattering Medium: An Analytic Perspective to the Ratio-of-Remission in Steady-State Measurements

    Directory of Open Access Journals (Sweden)

    Daqing Piao

    2014-12-01

    Full Text Available Recent focused Monte Carlo and experimental studies on steady-state single-fiber reflectance spectroscopy (SfRS from a biologically relevant scattering medium have revealed that, as the dimensionless reduced scattering of the medium increases, the SfRS intensity increases monotonically until reaching a plateau. The SfRS signal is semi-empirically decomposed to the product of three contributing factors, including a ratio-of-remission (RoR term that refers to the ratio of photons remitting from the medium and crossing the fiber-medium interface over the total number of photons launched into the medium. The RoR is expressed with respect to the dimensionless reduced scattering parameter , where  is the reduced scattering coefficient of the medium and  is the diameter of the probing fiber. We develop in this work, under the assumption of an isotropic-scattering medium, a method of analytical treatment that will indicate the pattern of RoR as a function of the dimensionless reduced scattering of the medium. The RoR is derived in four cases, corresponding to in-medium (applied to interstitial probing of biological tissue or surface-based (applied to contact-probing of biological tissue SfRS measurements using straight-polished or angle-polished fiber. The analytically arrived surface-probing RoR corresponding to single-fiber probing using a 15° angle-polished fiber over the range of  agrees with previously reported similarly configured experimental measurement from a scattering medium that has a Henyey–Greenstein scattering phase function with an anisotropy factor of 0.8. In cases of a medium scattering light anisotropically, we propose how the treatment may be furthered to account for the scattering anisotropy using the result of a study of light scattering close to the point-of-entry by Vitkin et al. (Nat. Commun. 2011, doi:10.1038/ncomms1599.

  7. SU-F-I-68: Longitudinal Neurochemical Changes On Rat Prefrontal Cortex of Single Prolonged Stress Model by Using Proton Magnetic Resonance Spectroscopy at 9.4T

    International Nuclear Information System (INIS)

    Lim, S-I; Yoo, C-H; Song, K-H; Choe, B-Y; Woo, D-C

    2016-01-01

    Purpose: Single prolonged stress (SPS) is an animal model of posttraumatic stress disorder (PTSD). However, it has not been known how PTSD develops from the first exposure to traumatic events and neurochemical differences between acute/single stress and PTSD-triggering stress. Therefore, the object of this study is to determine time-dependent neurochemical changes in prefrontal cortex (PFC) of rats using in vivo proton magnetic resonance spectroscopy (1H-MRS). Methods: Male Sprague-Dawley rats (n=14; body weight=200–220g) were used. The SPS protocol was used in this study. Rats were restrained for 2h and then immediately forced to swim for 20min in water (20–24 Celsius). After a 15-min recuperation period, rats were exposed to ether (using a desiccator) until general anesthesia occurred (<5min). In vivo proton MRS was performed 30min before the SPS (Base), approximately 10min after the SPS (D+0), 3 (D+3) and 7 (D+7) days after SPS to investigate time-dependent changes on metabolites levels in the PFC. Acquisition of in vivo MRS spectra and MRI was conducted at the four time points using 9.4 T Agilent Scanner. Concentration of metabolites was quantified by LCModel. Results: Statistical significance was analyzed using one-way ANOVA with post hoc Tukey HSD tests to assess the metabolite changes in the PFC. The SPS resulted in significant stress-induced differences for 7 days in glutamine (F(3,52)=6.750, P=0.001), choline-containing compounds (F(3,52)=16.442, P=0.000), glutamine/glutamate concentrations (F(3,52)=7.352, P=0.000). Conclusion: PTSD in human is associated with decreased neuronal activity in the PFC. In this study, SPS altered total choline, glutamine levels but not NAA levels in the PFC of the rats. Therefore, for the three stressors and quiescent period of seven days, SPS attenuated excitatory tone and membrane turnover but did not affect neural integrity in the PFC.

  8. SU-F-I-68: Longitudinal Neurochemical Changes On Rat Prefrontal Cortex of Single Prolonged Stress Model by Using Proton Magnetic Resonance Spectroscopy at 9.4T

    Energy Technology Data Exchange (ETDEWEB)

    Lim, S-I; Yoo, C-H [Department of Biomedical Engineering, and Research Institute of Biomedical Engineering, The Catholic University of Korea College of Medicine, Seoul, Seoul (Korea, Republic of); Asan Institute for Life Sciences, Asan Medical Center, Seoul, Seoul (Korea, Republic of); Song, K-H; Choe, B-Y [Department of Biomedical Engineering, and Research Institute of Biomedical Engineering, The Catholic University of Korea College of Medicine, Seoul, Seoul (Korea, Republic of); Woo, D-C [Asan Institute for Life Sciences, Asan Medical Center, Seoul, Seoul (Korea, Republic of)

    2016-06-15

    Purpose: Single prolonged stress (SPS) is an animal model of posttraumatic stress disorder (PTSD). However, it has not been known how PTSD develops from the first exposure to traumatic events and neurochemical differences between acute/single stress and PTSD-triggering stress. Therefore, the object of this study is to determine time-dependent neurochemical changes in prefrontal cortex (PFC) of rats using in vivo proton magnetic resonance spectroscopy (1H-MRS). Methods: Male Sprague-Dawley rats (n=14; body weight=200–220g) were used. The SPS protocol was used in this study. Rats were restrained for 2h and then immediately forced to swim for 20min in water (20–24 Celsius). After a 15-min recuperation period, rats were exposed to ether (using a desiccator) until general anesthesia occurred (<5min). In vivo proton MRS was performed 30min before the SPS (Base), approximately 10min after the SPS (D+0), 3 (D+3) and 7 (D+7) days after SPS to investigate time-dependent changes on metabolites levels in the PFC. Acquisition of in vivo MRS spectra and MRI was conducted at the four time points using 9.4 T Agilent Scanner. Concentration of metabolites was quantified by LCModel. Results: Statistical significance was analyzed using one-way ANOVA with post hoc Tukey HSD tests to assess the metabolite changes in the PFC. The SPS resulted in significant stress-induced differences for 7 days in glutamine (F(3,52)=6.750, P=0.001), choline-containing compounds (F(3,52)=16.442, P=0.000), glutamine/glutamate concentrations (F(3,52)=7.352, P=0.000). Conclusion: PTSD in human is associated with decreased neuronal activity in the PFC. In this study, SPS altered total choline, glutamine levels but not NAA levels in the PFC of the rats. Therefore, for the three stressors and quiescent period of seven days, SPS attenuated excitatory tone and membrane turnover but did not affect neural integrity in the PFC.

  9. Covariance J-resolved spectroscopy: Theory and application in vivo.

    Science.gov (United States)

    Iqbal, Zohaib; Verma, Gaurav; Kumar, Anand; Thomas, M Albert

    2017-08-01

    Magnetic resonance spectroscopy (MRS) is a powerful tool capable of investigating the metabolic status of several tissues in vivo. In particular, single-voxel-based 1 H spectroscopy provides invaluable biochemical information from a volume of interest (VOI) and has therefore been used in a variety of studies. Unfortunately, typical one-dimensional MRS data suffer from severe signal overlap and thus important metabolites are difficult to distinguish. One method that is used to disentangle overlapping resonances is the two-dimensional J-resolved spectroscopy (JPRESS) experiment. Due to the long acquisition duration of the JPRESS experiment, a limited number of points are acquired in the indirect dimension, leading to poor spectral resolution along this dimension. Poor spectral resolution is problematic because proper peak assignment may be hindered, which is why the zero-filling method is often used to improve resolution as a post-processing step. However, zero-filling leads to spectral artifacts, which may affect visualization and quantitation of spectra. A novel method utilizing a covariance transformation, called covariance J-resolved spectroscopy (CovJ), was developed in order to improve spectral resolution along the indirect dimension (F 1 ). Comparison of simulated data demonstrates that peak structures remain qualitatively similar between JPRESS and the novel method along the diagonal region (F 1 = 0 Hz), whereas differences arise in the cross-peak (F 1 ≠0 Hz) regions. In addition, quantitative results of in vivo JPRESS data acquired on a 3T scanner show significant correlations (r 2 >0.86, pCOVariance Spectral Evaluation of 1 H Acquisitions using Representative prior knowledge' (Cov-SEHAR), was developed in order to quantify γ-aminobutyric acid and glutamate from the CovJ spectra. These preliminary findings indicate that the CovJ method may be used to improve spectral resolution without hindering metabolite quantitation for J-resolved spectra

  10. Voxel-based statistical analysis of cerebral blood flow using Tc-99m ECD brain SPECT in patients with traumatic brain injury: group and individual analyses.

    Science.gov (United States)

    Shin, Yong Beom; Kim, Seong-Jang; Kim, In-Ju; Kim, Yong-Ki; Kim, Dong-Soo; Park, Jae Heung; Yeom, Seok-Ran

    2006-06-01

    Statistical parametric mapping (SPM) was applied to brain perfusion single photon emission computed tomography (SPECT) images in patients with traumatic brain injury (TBI) to investigate regional cerebral abnormalities compared to age-matched normal controls. Thirteen patients with TBI underwent brain perfusion SPECT were included in this study (10 males, three females, mean age 39.8 +/- 18.2, range 21 - 74). SPM2 software implemented in MATLAB 5.3 was used for spatial pre-processing and analysis and to determine the quantitative differences between TBI patients and age-matched normal controls. Three large voxel clusters of significantly decreased cerebral blood perfusion were found in patients with TBI. The largest clusters were area including medial frontal gyrus (voxel number 3642, peak Z-value = 4.31, 4.27, p = 0.000) in both hemispheres. The second largest clusters were areas including cingulated gyrus and anterior cingulate gyrus of left hemisphere (voxel number 381, peak Z-value = 3.67, 3.62, p = 0.000). Other clusters were parahippocampal gyrus (voxel number 173, peak Z-value = 3.40, p = 0.000) and hippocampus (voxel number 173, peak Z-value = 3.23, p = 0.001) in the left hemisphere. The false discovery rate (FDR) was less than 0.04. From this study, group and individual analyses of SPM2 could clearly identify the perfusion abnormalities of brain SPECT in patients with TBI. Group analysis of SPM2 showed hypoperfusion pattern in the areas including medial frontal gyrus of both hemispheres, cingulate gyrus, anterior cingulate gyrus, parahippocampal gyrus and hippocampus in the left hemisphere compared to age-matched normal controls. Also, left parahippocampal gyrus and left hippocampus were additional hypoperfusion areas. However, these findings deserve further investigation on a larger number of patients to be performed to allow a better validation of objective SPM analysis in patients with TBI.

  11. New observations concerning the interpretation of magnetic resonance spectroscopy of meningioma

    Energy Technology Data Exchange (ETDEWEB)

    Yue, Qiang [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan); West China Hospital of Sichuan University, Huaxi MR Research Center, Department of Radiology, Chengdu (China); Isobe, Tomonori [Kitasato University, Department of Medical Technology, School of Allied Health Sciences, Minato (Japan); Shibata, Yasushi; Kawamura, Hiraku; Yamamoto, Youhei; Takano, Shingo; Matsumura, Akira [University of Tsukuba, Department of Neurosurgery, Institute of Clinical Medicine, Tsukuba Science City, Ibaraki (Japan); Anno, Izumi [University of Tsukuba, Department of Radiology, Institute of Clinical Medicine, Tsukuba (Japan)

    2008-12-15

    This study was aimed to clarify some ambiguities in the interpretation of proton magnetic resonance spectroscopy (1H-MRS) of meningiomas. The cases of 31 meningioma patients (27 benign and 4 nonbenign meningiomas) that underwent single-voxel 1H-MRS (PRESS sequence, TR/TE = 2,000 ms/68, 136, 272 ms) were retrospectively analyzed. To verify the findings of in-vivo study, phantoms were measured, and pathological sections of 11 patients were reviewed. All meningiomas demonstrated increased choline and decreased creatine, except for a lipomatous meningioma that only displayed a prominent lipid (Lip) peak. Alanine (Ala) and lactate (Lac) coexisted in eight cases, indicating an alternative pathway of energy metabolism in meningiomas. They partially overlapped with each other and demonstrated a triplet-like spectral pattern, which was consistent with phantom study. Glutamine/glutamate (Glx) was helpful for the recognition of meningioma when Ala was absent. N-acetyl compounds(NACs) were observed in nine cases whose voxels were completely limited within the tumors, indicating that meningiomas might have endogenous NACs. Lac was indicative of an aggressive meningioma, although not always a nonbenign one. Lip not only represented micronecrosis in nonbenign meningiomas, but also reflected microcystic changes or fatty degeneration in benign meningiomas. 1H-MRS reflects some distinctive biochemical and pathological changes of meningiomas that might be misinterpreted. (orig.)

  12. Magnetic resonance spectroscopy features of normal-appearing white matter in patients with acute brucellosis

    Energy Technology Data Exchange (ETDEWEB)

    Kayabas, Uner [Department of Infectious Disease and Clinical Microbiology, Inonu University, Medical Faculty, TR-44280 Malatya (Turkey)], E-mail: ukayabas@inonu.edu.tr; Alkan, Alpay; Firat, Ahmet Kemal; Karakas, Hakki Muammer [Department of Radiology, Inonu University, Medical Faculty, TR-44280 Malatya (Turkey); Bayindir, Yasar; Yetkin, Funda [Department of Infectious Disease and Clinical Microbiology, Inonu University, Medical Faculty, TR-44280 Malatya (Turkey)

    2008-03-15

    We aimed to evaluate whether the subtle metabolic cerebral changes are present in normal-appearing white matter on conventional MRI, in patients with acute brucellosis, by using MR spectroscopy (MRS). Sixteen patients with acute brucellosis and 13 healthy control subjects were investigated with conventional MRI and single-voxel MRS. Voxels were placed in normal-appearing parietal white matter (NAPWM). N-Acetyl aspartate (NAA)/creatine (Cr) and choline (Cho)/Cr ratios were calculated. There was no significant difference between the study subjects and the control group in NAA/Cr ratios obtained from NAPWM. However, the Cho/Cr ratios were significantly higher in patients with acute brucellosis compared to controls (p = 0.01). MRS revealed metabolic changes in normal-appearing white matter of patients with brucellosis. Brucellosis may cause subtle cerebral alterations, which may only be discernible with MRS. Increased Cho/Cr ratio possibly represents an initial phase of inflammation and/or demyelination process of brucellosis.

  13. Magnetic resonance spectroscopy features of normal-appearing white matter in patients with acute brucellosis

    International Nuclear Information System (INIS)

    Kayabas, Uner; Alkan, Alpay; Firat, Ahmet Kemal; Karakas, Hakki Muammer; Bayindir, Yasar; Yetkin, Funda

    2008-01-01

    We aimed to evaluate whether the subtle metabolic cerebral changes are present in normal-appearing white matter on conventional MRI, in patients with acute brucellosis, by using MR spectroscopy (MRS). Sixteen patients with acute brucellosis and 13 healthy control subjects were investigated with conventional MRI and single-voxel MRS. Voxels were placed in normal-appearing parietal white matter (NAPWM). N-Acetyl aspartate (NAA)/creatine (Cr) and choline (Cho)/Cr ratios were calculated. There was no significant difference between the study subjects and the control group in NAA/Cr ratios obtained from NAPWM. However, the Cho/Cr ratios were significantly higher in patients with acute brucellosis compared to controls (p = 0.01). MRS revealed metabolic changes in normal-appearing white matter of patients with brucellosis. Brucellosis may cause subtle cerebral alterations, which may only be discernible with MRS. Increased Cho/Cr ratio possibly represents an initial phase of inflammation and/or demyelination process of brucellosis

  14. Gamma Spectroscopy

    NARCIS (Netherlands)

    Niemantsverdriet, J.W.; Butz, Tilman; Ertl, G.; Knözinger, H.; Schüth, F.

    2008-01-01

    No abstract. The sections in this article are 1 Introduction 2 Mössbauer Spectroscopy 3 Time-Differential Perturbed Angular Correlations (TDPAC) 4 Conclusions and Outlook Keywords: Mössbauer spectroscopy; gamma spectroscopy; perturbed angular correlation; TDPAC

  15. Comparing localized and nonlocalized dynamic 31P magnetic resonance spectroscopy in exercising muscle at 7T

    Science.gov (United States)

    Meyerspeer, Martin; Robinson, Simon; Nabuurs, Christine I; Scheenen, Tom; Schoisengeier, Adrian; Unger, Ewald; Kemp, Graham J; Moser, Ewald

    2012-01-01

    By improving spatial and anatomical specificity, localized spectroscopy can enhance the power and accuracy of the quantitative analysis of cellular metabolism and bioenergetics. Localized and nonlocalized dynamic 31P magnetic resonance spectroscopy using a surface coil was compared during aerobic exercise and recovery of human calf muscle. For localization, a short echo time single-voxel magnetic resonance spectroscopy sequence with adiabatic refocusing (semi-LASER) was applied, enabling the quantification of phosphocreatine, inorganic phosphate, and pH value in a single muscle (medial gastrocnemius) in single shots (TR = 6 s). All measurements were performed in a 7 T whole body scanner with a nonmagnetic ergometer. From a series of equal exercise bouts we conclude that: (a) with localization, measured phosphocreatine declines in exercise to a lower value (79 ± 7% cf. 53 ± 10%, P = 0.002), (b) phosphocreatine recovery shows shorter half time (t1/2 = 34 ± 7 s cf. t1/2 = 42 ± 7 s, nonsignificant) and initial postexercise phosphocreatine resynthesis rate is significantly higher (32 ± 5 mM/min cf. 17 ± 4 mM/min, P = 0.001) and (c) in contrast to nonlocalized 31P magnetic resonance spectroscopy, no splitting of the inorganic phosphate peak is observed during exercise or recovery, just an increase in line width during exercise. This confirms the absence of contaminating signals originating from weaker-exercising muscle, while an observed inorganic phosphate line broadening most probably reflects variations across fibers in a single muscle. Magn Reson Med, 2012. © 2012 Wiley Periodicals, Inc. PMID:22334374

  16. A Voxel-Based Approach to Explore Local Dose Differences Associated With Radiation-Induced Lung Damage

    Energy Technology Data Exchange (ETDEWEB)

    Palma, Giuseppe [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Monti, Serena [IRCCS SDN, Naples (Italy); D' Avino, Vittoria [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Conson, Manuel [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Department of Advanced Biomedical Sciences, Federico II University School of Medicine, Naples (Italy); Liuzzi, Raffaele [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Pressello, Maria Cristina [Department of Health Physics, S. Camillo-Forlanini Hospital, Rome (Italy); Donato, Vittorio [Department of Radiation Oncology, S. Camillo-Forlanini Hospital, Rome (Italy); Deasy, Joseph O. [Department of Medical Physics, Memorial Sloan Kettering Cancer Center, New York, NY (United States); Quarantelli, Mario [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Pacelli, Roberto [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy); Department of Advanced Biomedical Sciences, Federico II University School of Medicine, Naples (Italy); Cella, Laura, E-mail: laura.cella@cnr.it [Institute of Biostructure and Bioimaging, National Research Council, Naples (Italy)

    2016-09-01

    Purpose: To apply a voxel-based (VB) approach aimed at exploring local dose differences associated with late radiation-induced lung damage (RILD). Methods and Materials: An interinstitutional database of 98 patients who were Hodgkin lymphoma (HL) survivors treated with postchemotherapy supradiaphragmatic radiation therapy was analyzed in the study. Eighteen patients experienced late RILD, classified according to the Radiation Therapy Oncology Group scoring system. Each patient's computed tomographic (CT) scan was normalized to a single reference case anatomy (common coordinate system, CCS) through a log-diffeomorphic approach. The obtained deformation fields were used to map the dose of each patient into the CCS. The coregistration robustness and the dose mapping accuracy were evaluated by geometric and dose scores. Two different statistical mapping schemes for nonparametric multiple permutation inference on dose maps were applied, and the corresponding P<.05 significance lung subregions were generated. A receiver operating characteristic (ROC)-based test was performed on the mean dose extracted from each subregion. Results: The coregistration process resulted in a geometrically robust and accurate dose warping. A significantly higher dose was consistently delivered to RILD patients in voxel clusters near the peripheral medial-basal portion of the lungs. The area under the ROC curves (AUC) from the mean dose of the voxel clusters was higher than the corresponding AUC derived from the total lung mean dose. Conclusions: We implemented a framework including a robust registration process and a VB approach accounting for the multiple comparison problem in dose-response modeling, and applied it to a cohort of HL survivors to explore a local dose–RILD relationship in the lungs. Patients with RILD received a significantly greater dose in parenchymal regions where low doses (∼6 Gy) were delivered. Interestingly, the relation between differences in the high

  17. Simulation of computed tomography dose based on voxel phantom

    Science.gov (United States)

    Liu, Chunyu; Lv, Xiangbo; Li, Zhaojun

    2017-01-01

    Computed Tomography (CT) is one of the preferred and the most valuable imaging tool used in diagnostic radiology, which provides a high-quality cross-sectional image of the body. It still causes higher doses of radiation to patients comparing to the other radiological procedures. The Monte-Carlo method is appropriate for estimation of the radiation dose during the CT examinations. The simulation of the Computed Tomography Dose Index (CTDI) phantom was developed in this paper. Under a similar conditions used in physical measurements, dose profiles were calculated and compared against the measured values that were reported. The results demonstrate a good agreement between the calculated and the measured doses. From different CT exam simulations using the voxel phantom, the highest absorbed dose was recorded for the lung, the brain, the bone surface. A comparison between the different scan type shows that the effective dose for a chest scan is the highest one, whereas the effective dose values during abdomen and pelvis scan are very close, respectively. The lowest effective dose resulted from the head scan. Although, the dose in CT is related to various parameters, such as the tube current, exposure time, beam energy, slice thickness and patient size, this study demonstrates that the MC simulation is a useful tool to accurately estimate the dose delivered to any specific organs for patients undergoing the CT exams and can be also a valuable technique for the design and the optimization of the CT x-ray source.

  18. Lattice Boltzmann heat transfer model for permeable voxels

    Science.gov (United States)

    Pereira, Gerald G.; Wu, Bisheng; Ahmed, Shakil

    2017-12-01

    We develop a gray-scale lattice Boltzmann (LB) model to study fluid flow combined with heat transfer for flow through porous media where voxels may be partially solid (or void). Heat transfer in rocks may lead to deformation, which in turn can modulate the fluid flow and so has significant contribution to rock permeability. The LB temperature field is compared to a finite difference solution of the continuum partial differential equations for fluid flow in a channel. Excellent quantitative agreement is found for both Poiseuille channel flow and Brinkman flow. The LB model is then applied to sample porous media such as packed beds and also more realistic sandstone rock sample, and both the convective and diffusive regimes are recovered when varying the thermal diffusivity. It is found that while the rock permeability can be comparatively small (order milli-Darcy), the temperature field can show significant variation depending on the thermal convection of the fluid. This LB method has significant advantages over other numerical methods such as finite and boundary element methods in dealing with coupled fluid flow and heat transfer in rocks which have irregular and nonsmooth pore spaces.

  19. Dose calculation on voxels phantoms using the GEANT4 code

    International Nuclear Information System (INIS)

    Martins, Maximiano C.; Santos, Denison S.; Queiroz Filho, Pedro P.; Begalli, Marcia

    2009-01-01

    This work implemented an anthropomorphic phantom of voxels on the structure of Monte Carlo GEANT4, for utilization by professionals from the radioprotection, external dosimetry and medical physics. This phantom allows the source displacement that can be isotropic punctual, plain beam, linear or radioactive gas, in order to obtain diverse irradiation geometries. In them, the radioactive sources exposure is simulated viewing the determination of effective dose or the dose in each organ of the human body. The Zubal head and body trunk phantom was used, and we can differentiate the organs and tissues by the chemical constitution in soft tissue, lung tissue, bone tissue, water and air. The calculation method was validated through the comparison with other well established method, the Visual Monte Carlo (VMC). Besides, a comparison was done with the international recommendation for the evaluation of dose by exposure to punctual sources, described in the document TECDOC - 1162- Generic Procedures for Assessment and Response During a Radiological Emergency, where analytical expressions for this calculation are given. Considerations are made on the validity limits of these expressions for various irradiation geometries, including linear sources, immersion into clouds and contaminated soils

  20. A voxel-based MRI morphometric study of Alzheimer's disease

    International Nuclear Information System (INIS)

    Hao Jing; Li Kuncheng; Yang Yanhui; Wang Wei; Li Ke; Yan Bin; Shan Baoci

    2005-01-01

    Objective: To assess the diagnostic value of voxel-based Morphometry (VBM) in studying Alzheimer's disease (AD). Methods: Graymatter density were comprehensive assessed by means of VBM on T 1 -weighted MRI volume sets in 19 patients with AD and 15 healthy subjects of similar age and gender ratio, 15 healthy adults. The data were collected on Siemens 1.5 T Sonata MRI systems and analyzed by SPM 99 to generate gray matter density map. Results: Relative to healthy controls, significant clusters of reduced gray matter density were found to affect medial temporal lobe ( hippocampus) (P<0.001). For hippocampus, reduced gray matter density were 1529 in the right and 1281 in the left with right-sided predominance. Moreover, atrophy of right caudate head and left medial thalamus were showed. We demonstrate global asymmetrical cortical atrophy with sparing of the sensorimotor cortex, occipital lobe and cerebellum. Conclusion: The results from VBM are in perfect agreement with those of earlier neuroimaging, which confirmed its value in demonstrating neuroanatomy of AD. VBM, the simple and automatic approach providing a full-brain assessment of AD morphology, has a good clinical perspective. (authors)

  1. DTI Analysis of Presbycusis Using Voxel-Based Analysis.

    Science.gov (United States)

    Ma, W; Li, M; Gao, F; Zhang, X; Shi, L; Yu, L; Zhao, B; Chen, W; Wang, G; Wang, X

    2016-07-14

    Presbycusis is the most common sensory deficit in the aging population. A recent study reported using a DTI-based tractography technique to identify a lack of integrity in a portion of the auditory pathway in patients with presbycusis. The aim of our study was to investigate the white matter pathology of patients with presbycusis by using a voxel-based analysis that is highly sensitive to local intensity changes in DTI data. Fifteen patients with presbycusis and 14 age- and sex-matched healthy controls were scanned on a 3T scanner. Fractional anisotropy, mean diffusivity, axial diffusivity, and radial diffusivity were obtained from the DTI data. Intergroup statistics were implemented on these measurements, which were transformed to Montreal Neurological Institute coordinates by using a nonrigid image registration method called large deformation diffeomorphic metric mapping. Increased axial diffusivity, radial diffusivity, and mean diffusivity and decreased fractional anisotropy were found near the right-side hearing-related areas in patients with presbycusis. Increased radial diffusivity and mean diffusivity were also found near a language-related area (Broca area) in patients with presbycusis. Our findings could be important for exploring reliable imaging evidence of presbycusis and could complement an ROI-based approach. © 2016 American Society of Neuroradiology.