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Sample records for single voxel spectroscopy

  1. single voxel magnetic resonance spectroscopy in distinguishing

    African Journals Online (AJOL)

    2011-03-03

    Mar 3, 2011 ... 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 MRI department. Subject: Seventy four consecutive patients.

  2. 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 ...

  3. 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...

  4. 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

  5. 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

    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......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...

  6. 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.

  7. 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

  8. ROLE OF SINGLE VOXEL PROTON MAGNETIC RESONANCE SPECTROSCOPY ON A 3 TESLA MR SCANNER IN CHARACTERISING BREAST LESIONS- A TERTIARY CARE CENTRE EXPERIENCE IN EASTERN INDIA

    Directory of Open Access Journals (Sweden)

    Archana Singh

    2016-12-01

    Full Text Available BACKGROUND To evaluate whether the detection of choline-containing compounds in single voxel MR spectroscopy of breast lesions can differentiate between benign and malignant breast lesions. MATERIALS AND METHODS This prospective observational study included 99 breast lesions in 77 patients (between 18 and 86 years age who underwent 3T breast MRI including proton MR spectroscopy before biopsy. Following dynamic contrast-enhanced study, single voxel, water and fat suppressed proton MR spectroscopy was performed. The position and size of the Volume of Interest (VOI was placed so as to include the enhancing part of the lesion and excluding as much as possible the nonenhancing gland parenchyma, adjoining fat or necrotic part of the lesion. Choline peak at 3.2 ppm was qualitatively evaluated. MRI BIRADS scoring was done for each lesion. Sensitivity and specificity of the (1 H-MRS were calculated. Final histopathological diagnosis was taken as the gold standard. RESULTS According to histopathology, 53 lesions were malignant and 46 were benign. The qualitative approach based on presence or absence of choline peak yielded 88.68% [95% CI 76.97% to 95.73%] sensitivity and 76.09% [95% CI 61.23 to 87.41%] specificity for differentiating malignant and benign lesions (p<0.0001. CONCLUSION In vivo proton, MR spectroscopy can be used as an adjunctive tool for characterising breast lesions. However, the detection of choline-containing compounds is not specific for malignancy. Benign breast lesions may also demonstrate choline peak.

  9. Study of single voxel {sup 1}H MR spectroscopy of bone tumors: Differentiation of benign from malignant tumors

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jing; Cheng, Kebin [Department of Radiology, Beijing Jishuitan Hospital, Beijing (China); Ding, Yi [Department of Orthopaedic Oncology, Beijing Jishuitan Hospital, Beijing (China); Liang, Wei [Department of Radiology, Beijing Jishuitan Hospital, Beijing (China); Ding, Yi [Department of Pathology, Beijing Jishuitan Hospital, Beijing (China); Vanel, Daniel [Rizzoli Institute, Bologna (Italy); Cheng, Xiaoguang, E-mail: xiao65@263.net [Department of Radiology, Beijing Jishuitan Hospital, Beijing (China)

    2013-12-01

    Objective: To evaluate the clinical application of single voxel {sup 1}H MRS in the discrimination of benign and malignant bone tumors. Materials and methods: Eighty-three patients (64 male, 19 female), presenting with a bone tumor, were examined on a 1.5 T MRI scanner. Using pathological results as a gold standard, there were 34 benign and 49 malignant tumors. After plain MRI scans, a 3D fast SPGR sequence was used for dynamic contrast-enhanced scanning. Dynamic images were transferred to the workstation, where the region of maximal enhancement was identified for prescription of the {sup 1}H MRS sequence. Single-voxel {sup 1}H MRS was then performed with the probe-p sequence, TR/TE = 1500/110 ms, VOI ranging from 14.4 mm × 7.3 mm × 20.2 mm to 27.9 mm × 25.5 mm × 20.1 mm, automatic shimming and water suppression, 15 min post-contrast. For control purposes, the 3rd lumbar spine vertebral body of six patients having lumbar disc herniation (LDH) without systemic disease was examined with {sup 1}H MRS of normal bone marrow. The static contrast enhancement scan was used for these LDH patients. Conversion of raw MR signal to an MR spectrum was performed using SAGE 7. Cho/Lip (choline/lipids) peak height ratios were calculated. ROC curve analysis was used to determine the cut-off of Cho/Lip ratio for discrimination. Results: For malignant tumors, one resonance at 3.30–3.19 ppm attributed to choline and another at 1.14–1.55 ppm attributed to lipid were detected. With normal bone marrow and most benign tumors, no choline signal was detected. Choline was only found in six benign lesions. With a threshold for Cho/Lip peak height ratio of 0.2, the area under ROC curve was 0.819. The corresponding sensitivity and specificity of {sup 1}H MRS were 76% and 88%. Conclusions: Single voxel {sup 1}H MRS can help in discriminating benign and malignant bone tumors.

  10. 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.)

  11. Multi-voxel proton magnetic resonance spectroscopy changes in ...

    African Journals Online (AJOL)

    Multi-voxel proton magnetic resonance spectroscopy changes in neuropsychiatric lupus patients. ... Materials and methods: The study included 23 NPSLE patients, 20 non-NPSLE patients, and 21 HCs. A clinical assessment including the SLE disease activity index (SLEDAI) and systemic lupus international collaborating ...

  12. 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.)

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

    Energy Technology Data Exchange (ETDEWEB)

    Zonari, Paolo [Ospedale ' ' B. Ramazzini' ' , AUSL Modena, Neuroradiologia, Dipartimento Integrato di Neuroscienze, Carpi, Modena (Italy); Baraldi, Patrizia [Universita degli Studi di Modena e Reggio Emilia, Dipartimento di Scienze Biomediche, Sezione di Fisiologia, Modena (Italy); Crisi, Girolamo [Azienda Ospedaliero-Universitaria di Parma, Dipartimento ad Attivita Integrata di Neuroscienze, Parma (Italy)

    2007-10-15

    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.)

  14. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    GENERAL ARTICLE. Single-Molecule Spectroscopy. Every Molecule is Different! Kankan Bhattacharyya. Keywords. Single-molecule spectroscopy. (SMS), confocal microscopy,. FCS, sm-FRET, FLIM. 1 High-resolution spectrum re- fers to a spectrum consisting of very sharp lines. The sharp lines clearly display transitions to ...

  15. Hadamard-encoding combined with two-dimensional-selective radiofrequency excitations for flexible and efficient acquisitions of multiple voxels in MR spectroscopy.

    Science.gov (United States)

    Busch, Martin G; Finsterbusch, Jürgen

    2012-04-01

    To improve the efficiency and flexibility of acquisitions of multiple voxels in MR spectroscopy by combining two-dimensional-selective radiofrequency (2DRF) excitations and Hadamard encoding. With 2DRF excitations (PROPELLER trajectory, 16 half-Fourier segments, each with five lines) two voxels are defined. By combining the individual 2DRF pulses with Hadamard-like encoded phases, the voxels are acquired simultaneously but the individual contributions can be isolated from the obtained spectra. This is demonstrated on a 3 Tesla whole-body MR system in phantoms and in the human brain in vivo. Compared with sequential single-voxel acquisitions the signal efficiency increases with the number of voxels covered. Furthermore, in comparison to conventional single-voxel MRS based on cross-sectional RF excitations, 2DRF excitations offer a higher flexibility because they allow for arbitrary voxel sizes, orientations, in-plane positions, and shapes. The presented approach improves the flexibility and efficiency of acquisitions of multiple voxels, i.e., can shorten acquisition times accordingly, and can help to reduce partial volume effects. Copyright © 2011 Wiley Periodicals, Inc.

  16. 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.

  17. Single-Molecule Spectroscopy

    Indian Academy of Sciences (India)

    IAS Admin

    RESONANCE. February 2015. GENERAL ARTICLE. Single-Molecule Spectroscopy. Every Molecule is Different! Kankan Bhattacharyya. Keywords. Single-molecule ..... Resonance Energy. Transfer (FRET) is an elegant technique to measure the distance between a donor and an acceptor molecule. FRET refers to the.

  18. 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

  19. 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:

  20. 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! ... Author Affiliations. Kankan Bhattacharyya1. Department of Physical Chemistry, Indian Association for the Cultivation of Science Jadavpur, Kolkata 700 032 India.

  1. Pairwise mixture model for unmixing partial volume effect in multi-voxel MR spectroscopy of brain tumour patients

    Science.gov (United States)

    Olliverre, Nathan; Asad, Muhammad; Yang, Guang; Howe, Franklyn; Slabaugh, Gregory

    2017-03-01

    Multi-Voxel Magnetic Resonance Spectroscopy (MV-MRS) provides an important and insightful technique for the examination of the chemical composition of brain tissue, making it an attractive medical imaging modality for the examination of brain tumours. MRS, however, is affected by the issue of the Partial Volume Effect (PVE), where the signals of multiple tissue types can be found within a single voxel and provides an obstacle to the interpretation of the data. The PVE results from the low resolution achieved in MV-MRS images relating to the signal to noise ratio (SNR). To counteract PVE, this paper proposes a novel Pairwise Mixture Model (PMM), that extends a recently reported Signal Mixture Model (SMM) for representing the MV-MRS signal as normal, low or high grade tissue types. Inspired by Conditional Random Field (CRF) and its continuous variant the PMM incorporates the surrounding voxel neighbourhood into an optimisation problem, the solution of which provides an estimation to a set of coefficients. The values of the estimated coefficients represents the amount of each tissue type (normal, low or high) found within a voxel. These coefficients can then be visualised as a nosological rendering using a coloured grid representing the MV-MRS image overlaid on top of a structural image, such as a Magnetic Resonance Image (MRI). Experimental results show an accuracy of 92.69% in classifying patient tumours as either low or high grade compared against the histopathology for each patient. Compared to 91.96% achieved by the SMM, the proposed PMM method demonstrates the importance of incorporating spatial coherence into the estimation as well as its potential clinical usage.

  2. 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.)

  3. 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.)

  4. 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).

  5. Automated single-voxel proton MRS: technical development and multisite verification.

    Science.gov (United States)

    Webb, P G; Sailasuta, N; Kohler, S J; Raidy, T; Moats, R A; Hurd, R E

    1994-04-01

    To improve clinical utility, an integrated method has been developed to automatically acquire and process single-voxel in vivo proton spectra on a 1.5 T clinical scanner. This method includes automated adjustment of linear shims using a very rapid modified simplex method, automated water suppression, and applies a water referencing scheme to correct for phase and residual eddy current effects. No operator intervention is required for the acquisition and processing of these pure-absorption spectra. This method was tested in a preliminary multisite trial to determine intersite and intrasite variability of metabolite ratio measurements. In a sample of over 100 examinations, the standard deviation of the ratios NAA:Cr, Cho:Cr, and ml:Cr were found to be under 15% when using this method, a substantially narrower range than has been found in studies relying on manual adjustment of the instrument and/or manual processing. This result indicates that automated setting of acquisition and processing parameters is of critical importance in the clinical application of in vivo spectroscopy.

  6. 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.

  7. 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.

  8. 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.

  9. Optical Spectroscopy of Single Nanowires

    OpenAIRE

    Trägårdh, Johanna

    2008-01-01

    This thesis describes optical spectroscopy on III-V semiconductor nanowires. The nanowires were grown by metal-organic vapor phase epitaxy (MOVPE) and chemical beam epitaxy (CBE). Photoluminescence and photocurrent spectroscopy are used as tools to investigate issues such as the size of the band gap, the effects of surface states, and the charge carrier transport in core-shell nanowires. The band gap of InAs1-xPx nanowires with wurtzite crystal structure is measured as a function of ...

  10. 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.)

  11. Motion-insensitive determination of B1+ amplitudes based on the bloch-siegert shift in single voxels of moving organs including the human heart.

    Science.gov (United States)

    Dokumaci, Ayse Sila; Pouymayou, Bertrand; Kreis, Roland; Boesch, Chris

    2016-05-01

    To reliably determine the amplitude of the transmit radiofrequency ( B1+) field in moving organs like the liver and heart, where most current techniques are usually not feasible. B1+ field measurement based on the Bloch-Siegert shift induced by a pair of Fermi pulses in a double-triggered modified Point RESolved Spectroscopy (PRESS) sequence with motion-compensated crusher gradients has been developed. Performance of the sequence was tested in moving phantoms and in muscle, liver, and heart of six healthy volunteers each, using different arrangements of transmit/receive coils. B1+ determination in a moving phantom was almost independent of type and amplitude of the motion and agreed well with theory. In vivo, repeated measurements led to very small coefficients of variance (CV) if the amplitude of the Fermi pulse was chosen above an appropriate level (CV in muscle 0.6%, liver 1.6%, heart 2.3% with moderate amplitude of the Fermi pulses and 1.2% with stronger Fermi pulses). The proposed sequence shows a very robust determination of B1+ in a single voxel even under challenging conditions (transmission with a surface coil or measurements in the heart without breath-hold). © 2015 Wiley Periodicals, Inc.

  12. 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.

  13. 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.)

  14. 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.

  15. When the Single Matters more than the Group (II): Addressing the Problem of High False Positive Rates in Single Case Voxel Based Morphometry Using Non-parametric Statistics.

    Science.gov (United States)

    Scarpazza, Cristina; Nichols, Thomas E; Seramondi, Donato; Maumet, Camille; Sartori, Giuseppe; Mechelli, Andrea

    2016-01-01

    In recent years, an increasing number of studies have used Voxel Based Morphometry (VBM) to compare a single patient with a psychiatric or neurological condition of interest against a group of healthy controls. However, the validity of this approach critically relies on the assumption that the single patient is drawn from a hypothetical population with a normal distribution and variance equal to that of the control group. In a previous investigation, we demonstrated that family-wise false positive error rate (i.e., the proportion of statistical comparisons yielding at least one false positive) in single case VBM are much higher than expected (Scarpazza et al., 2013). Here, we examine whether the use of non-parametric statistics, which does not rely on the assumptions of normal distribution and equal variance, would enable the investigation of single subjects with good control of false positive risk. We empirically estimated false positive rates (FPRs) in single case non-parametric VBM, by performing 400 statistical comparisons between a single disease-free individual and a group of 100 disease-free controls. The impact of smoothing (4, 8, and 12 mm) and type of pre-processing (Modulated, Unmodulated) was also examined, as these factors have been found to influence FPRs in previous investigations using parametric statistics. The 400 statistical comparisons were repeated using two independent, freely available data sets in order to maximize the generalizability of the results. We found that the family-wise error rate was 5% for increases and 3.6% for decreases in one data set; and 5.6% for increases and 6.3% for decreases in the other data set (5% nominal). Further, these results were not dependent on the level of smoothing and modulation. Therefore, the present study provides empirical evidence that single case VBM studies with non-parametric statistics are not susceptible to high false positive rates. The critical implication of this finding is that VBM can be used

  16. Spectroscopy of Single Free Standing Quantum Wells

    International Nuclear Information System (INIS)

    Williams, M D; Hollars, C W; Huser, T; Jallow, N; Cochran, A; Bryant, R

    2006-01-01

    We investigated the interaction of quantum confined exciton states GaAs quantum wells with native surface states. Single molecule photoluminescence (PL) spectroscopy, developed by T. Huser at LLNL was used to probe the unique bare quantum wells in the free standing quantum well structure. The latter was developed by the M. D. Williams at Clark Atlanta University. The goals of the project during this budget cycle were to procure samples containing GaAs free standing QWs, identify suitable regions for PL analysis at Lawrence Livermore, analyze the structures at room temperature and at liquid nitrogen temperatures. The specific regions of interest on the sample structures were identified by scanning electron microscopy at Clark Atlanta prior to transport to LLNL. Previous attempts at other facilities using NSOM, cathodoluminescence, and conventional PL showed little luminescence activity at room temperature from the 200 (angstrom) thick wells. This suggested either excess recombination due to surface states in the quantum well region or insufficient absorption length for photoluminescence. The literature suggested that the effect of the defects could be eliminated by reducing the sample temperature below their associated activation energies. In our previous subcontract work with LLNL, a significant amount of effort was expended to modify the apparatus to allow low temperature measurements. The modifications were not successful and we concluded that in order to do the measurements at low temperature we would need to purchase a commercial optical cryostat to get reliable results. Ms. Rochelle Bryant worked during the summer as an intern at LLNL on the project under the supervision of C. Hollars and in collaboration with T. Huser and found that PL emission could be obtained at room temperature. This was a surprising result as the literature and our experience shows that there is no PL emission from GaAs at room temperature. We speculate that this is due to the small

  17. Parallel reconstruction in accelerated multivoxel MR spectroscopy

    NARCIS (Netherlands)

    Boer, V. O.; Klomp, D. W. J.|info:eu-repo/dai/nl/298206382; 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

  18. 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.

  19. High spatial resolution spectroscopy of single semiconductor nanostructures

    Science.gov (United States)

    Harris, T. D.; Gershoni, D.; Pfeiffer, L.; Nirmal, M.; Trautman, J. K.; Macklin, J. J.

    1996-11-01

    Low-temperature near-field scanning optical microscopy is used for the first time in spectroscopic studies of single, nanometre dimension, cleaved edge overgrown quantum wires. A direct experimental comparison between a two-dimensional system and a single genuinely one-dimensional quantum wire system, inaccessible to conventional far-field optical spectroscopy, is enabled by the enhanced spatial resolution. We show that the photoluminescence of a single quantum wire is easily distinguished from that of the surrounding quantum well. Emission from localized centres is shown to dominate the photoluminescence from both wires and wells at low temperatures. A factor of three oscillator strength enhancement for these wires compared with the wells is concluded from the photoluminescence excitation data. We also report room-temperature spectroscopy and dynamics of single CdSe nanocrystals. Photochemistry, trap dynamics and spectroscopy are easily determined.

  20. 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

  1. 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...

  2. 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)

  3. 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)

  4. The Observation and Execution of Actions Share Motor and Somatosensory Voxels in all Tested Subjects : Single-Subject Analyses of Unsmoothed fMRI Data

    NARCIS (Netherlands)

    Gazzola, Valeria; Keysers, Christian

    Many neuroimaging studies of the mirror neuron system (MNS) examine if certain voxels in the brain are shared between action observation and execution (shared voxels, sVx). Unfortunately, finding sVx in standard group analyses is not a guarantee that sVx exist in individual subjects. Using

  5. 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.

  6. 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.

  7. Fourier-transform spatial modulation spectroscopy of single gold nanorods

    Directory of Open Access Journals (Sweden)

    Kollmann Heiko

    2018-03-01

    Full Text Available Sensing the scattered fields of single metallic nanostructures is a crucial step towards the applications of isolated plasmonic antennas, such as for the sensing of single molecules or nanoparticles. In the past, both near- and far-field spectroscopy methods have been applied to monitor single plasmonic resonances. So far, however, these spectral-domain techniques do not yet provide the femtosecond time resolution that is needed to probe the dynamics of plasmonic fields in the time domain. Here, we introduce a time-domain technique that combines broadband Fourier-transform spectroscopy and spatial modulation spectroscopy (FT-SMS to quantitatively measure the extinction spectra of the isolated gold nanorods with a nominal footprint of 41×10 nm2. Using a phase-stable pulse pair for excitation, the technique is capable of rejecting off-resonant stray fields and providing absolute measurements of the extinction cross section. Our results indicate that the method is well suited for measuring the optical response of strongly coupled hybrid systems with high signal-to-noise ratio. It may form the basis for new approaches towards time-domain spectroscopy of single nanoantennas with few-cycle time resolution.

  8. An RNA toolbox for single-molecule force spectroscopy studies

    NARCIS (Netherlands)

    Vilfan, I.D.; Kamping, W.; Van den Hout, M.; Candelli, A.; Hage, S.; Dekker, N.H.

    2007-01-01

    Precise, controllable single-molecule force spectroscopy studies of RNA and RNA-dependent processes have recently shed new light on the dynamics and pathways of RNA folding and RNAenzyme interactions. A crucial component of this research is the design and assembly of an appropriate RNA construct.

  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. Near-field optical spectroscopy of single quantum wires

    Science.gov (United States)

    Harris, T. D.; Gershoni, D.; Grober, R. D.; Pfeiffer, L.; West, K.; Chand, N.

    1996-02-01

    Low temperature near-field scanning optical microscopy is used for spectroscopic studies of single, nanometer dimension, cleaved edge overgrown quantum wires. A direct experimental comparison between a two dimensional system and a single genuinely one dimensional quantum wire system, inaccessible to conventional far field optical spectroscopy, is enabled by the enhanced spatial resolution. We show that the photoluminescence of a single quantum wire is easily distinguished from that of the surrounding quantum well. Emission from localized centers is shown to dominate the photoluminescence from both wires and wells at low temperatures. A factor of 3 absorption enhancement for these wires compared to the wells is concluded from the photoluminescence excitation data.

  11. 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

  12. 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.

  13. 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.

  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. Charge transient spectroscopy of C 60 single crystals

    Science.gov (United States)

    Baranc̆ok, D.; Halus̆ka, M.; Kuzmany, H.; Nádaz̆dy, V.

    1994-01-01

    Suitability of the charge transient spectroscopy — QTS for the investigation of fullerites is demonstrated. QTS can yield an information on the electrical properties of both the bulk and the interface of fullerites interfaced with metals (insulators, semiconductors) as well as on its bulk phase transition. Our measurements were carried out on C60 single crystals. We observed a single QTS peak which reflects most probably a thermally activated relaxation process (polarization or trap - limited charge emission) in the crystal. The expected phase transition was detected as a step of QTS signal at 255 K. The influence of a thermal treatment in air on the QTS peak was also observed.

  16. Single-particle absorption spectroscopy by photothermal contrast.

    Science.gov (United States)

    Yorulmaz, Mustafa; Nizzero, Sara; Hoggard, Anneli; Wang, Lin-Yung; Cai, Yi-Yu; Su, Man-Nung; Chang, Wei-Shun; Link, Stephan

    2015-05-13

    Removing effects of sample heterogeneity through single-molecule and single-particle techniques has advanced many fields. While background free luminescence and scattering spectroscopy is widely used, recording the absorption spectrum only is rather difficult. Here we present an approach capable of recording pure absorption spectra of individual nanostructures. We demonstrate the implementation of single-particle absorption spectroscopy on strongly scattering plasmonic nanoparticles by combining photothermal microscopy with a supercontinuum laser and an innovative calibration procedure that accounts for chromatic aberrations and wavelength-dependent excitation powers. Comparison of the absorption spectra to the scattering spectra of the same individual gold nanoparticles reveals the blueshift of the absorption spectra, as predicted by Mie theory but previously not detectable in extinction measurements that measure the sum of absorption and scattering. By covering a wavelength range of 300 nm, we are furthermore able to record absorption spectra of single gold nanorods with different aspect ratios. We find that the spectral shift between absorption and scattering for the longitudinal plasmon resonance decreases as a function of nanorod aspect ratio, which is in agreement with simulations.

  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. Infrared absorption spectroscopy of single particles using photophoresis

    International Nuclear Information System (INIS)

    Lin, H.

    1985-01-01

    In situ absorption spectroscopy was performed on a single suspended salt particle using photophoresis. The charged ammonium sulfate particle was levitated in an electric-quadrpole field and illuminated by a CO 2 laser. The size-dependent absorption spectrum of ammonium sulfate particles was observed for the first time to our knowledge at 930-1080 cm -1 . The effects of gas pressure and laser power were also determined. For particles approximately 10 μm in diameter, the photophoretic force was observed to be negative

  1. Two-photon compatibility and single-voxel, single-trial detection of subthreshold neuronal activity by a two-component optical voltage sensor.

    Science.gov (United States)

    Fink, Ann E; Bender, Kevin J; Trussell, Laurence O; Otis, Thomas S; DiGregorio, David A

    2012-01-01

    Minimally invasive measurements of neuronal activity are essential for understanding how signal processing is performed by neuronal networks. While optical strategies for making such measurements hold great promise, optical sensors generally lack the speed and sensitivity necessary to record neuronal activity on a single-trial, single-neuron basis. Here we present additional biophysical characterization and practical improvements of a two-component optical voltage sensor (2cVoS), comprised of the neuronal tracer dye, DiO, and dipicrylamine (DiO/DPA). Using laser spot illumination we demonstrate that membrane potential-dependent fluorescence changes can be obtained in a wide variety of cell types within brain slices. We show a correlation between membrane labeling and the sensitivity of the magnitude of fluorescence signal, such that neurons with the brightest membrane labeling yield the largest ΔF/F values per action potential (AP; ∼40%). By substituting a blue-shifted donor for DiO we confirm that DiO/DPA works, at least in part, via a Förster resonance energy transfer (FRET) mechanism. We also describe a straightforward iontophoretic method for labeling multiple neurons with DiO and show that DiO/DPA is compatible with two-photon (2P) imaging. Finally, exploiting the high sensitivity of DiO/DPA, we demonstrate AP-induced fluorescence transients (fAPs) recorded from single spines of hippocampal pyramidal neurons and single-trial measurements of subthreshold synaptic inputs to granule cell dendrites. Our findings suggest that the 2cVoS, DiO/DPA, enables optical measurements of trial-to-trial voltage fluctuations with very high spatial and temporal resolution, properties well suited for monitoring electrical signals from multiple neurons within intact neuronal networks.

  2. Two-photon compatibility and single-voxel, single-trial detection of subthreshold neuronal activity by a two-component optical voltage sensor.

    Directory of Open Access Journals (Sweden)

    Ann E Fink

    Full Text Available Minimally invasive measurements of neuronal activity are essential for understanding how signal processing is performed by neuronal networks. While optical strategies for making such measurements hold great promise, optical sensors generally lack the speed and sensitivity necessary to record neuronal activity on a single-trial, single-neuron basis. Here we present additional biophysical characterization and practical improvements of a two-component optical voltage sensor (2cVoS, comprised of the neuronal tracer dye, DiO, and dipicrylamine (DiO/DPA. Using laser spot illumination we demonstrate that membrane potential-dependent fluorescence changes can be obtained in a wide variety of cell types within brain slices. We show a correlation between membrane labeling and the sensitivity of the magnitude of fluorescence signal, such that neurons with the brightest membrane labeling yield the largest ΔF/F values per action potential (AP; ∼40%. By substituting a blue-shifted donor for DiO we confirm that DiO/DPA works, at least in part, via a Förster resonance energy transfer (FRET mechanism. We also describe a straightforward iontophoretic method for labeling multiple neurons with DiO and show that DiO/DPA is compatible with two-photon (2P imaging. Finally, exploiting the high sensitivity of DiO/DPA, we demonstrate AP-induced fluorescence transients (fAPs recorded from single spines of hippocampal pyramidal neurons and single-trial measurements of subthreshold synaptic inputs to granule cell dendrites. Our findings suggest that the 2cVoS, DiO/DPA, enables optical measurements of trial-to-trial voltage fluctuations with very high spatial and temporal resolution, properties well suited for monitoring electrical signals from multiple neurons within intact neuronal networks.

  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. Action spectroscopy for single-molecule reactions - Experiments and theory

    Science.gov (United States)

    Kim, Y.; Motobayashi, K.; Frederiksen, T.; Ueba, H.; Kawai, M.

    2015-05-01

    We review several representative experimental results of action spectroscopy (AS) of single molecules on metal surfaces using a scanning tunneling microscope (STM) by M. Kawai's group over last decade. The experimental procedures to observe STM-AS are described. A brief description of a low-temperature STM and experimental setup are followed by key experimental techniques of how to determine an onset bias voltage of a reaction and how to measure a current change associated with reactions and finally how to observe AS for single molecule reactions. The experimental results are presented for vibrationally mediated chemical transformation of trans-2-butene to 1.3-butadiene molecule and rotational motion of a single cis-2-butene molecule among four equivalent orientations on Pd(1 1 0). The AS obtained from the motion clearly detects more vibrational modes than inelastic electron tunneling spectroscopy with an STM. AS is demonstrated as a useful and novel single molecule vibrational spectroscopy. The AS for a lateral hopping of water dimer on Pt(1 1 1) is presented as an example of novelty. Several distinct vibrational modes are detected as the thresholds in the AS. The assignment of the vibrational modes determined from the analysis of the AS is made from a view of the adsorption geometry of hydrogen-bond donor or acceptor molecules in water dimer. A generic theory of STM-AS, i.e., a reaction rate or yield as a function of bias voltage, is presented using a single adsorbate resonance model for single molecule reactions induced by the inelastic tunneling current. Formulas for the reaction rate R (V) and Y (V) , i.e., reaction yield per electron Y (V) = eR (V) / I are derived. It provides a versatile framework to analyze any vibrationally mediated reactions of single adsorbates on metal surfaces. Numerical examples are presented to demonstrate generic features of the vibrational generation rate and Y (V) at different levels of approximations and to show how the effective

  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. Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

    Science.gov (United States)

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

    2015-01-01

    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. PMID:25867282

  7. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Ikuta, Naomi [Yamaguchi Univ., Ube (Japan). School of Medicine

    1998-04-01

    Using proton magnetic resonance spectroscopy ({sup 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{sup 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)

  10. 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.

  11. 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).

  12. Efficient unfolding pattern recognition in single molecule force spectroscopy data

    Directory of Open Access Journals (Sweden)

    Labudde Dirk

    2011-06-01

    Full Text Available Abstract Background Single-molecule force spectroscopy (SMFS is a technique that measures the force necessary to unfold a protein. SMFS experiments generate Force-Distance (F-D curves. A statistical analysis of a set of F-D curves reveals different unfolding pathways. Information on protein structure, conformation, functional states, and inter- and intra-molecular interactions can be derived. Results In the present work, we propose a pattern recognition algorithm and apply our algorithm to datasets from SMFS experiments on the membrane protein bacterioRhodopsin (bR. We discuss the unfolding pathways found in bR, which are characterised by main peaks and side peaks. A main peak is the result of the pairwise unfolding of the transmembrane helices. In contrast, a side peak is an unfolding event in the alpha-helix or other secondary structural element. The algorithm is capable of detecting side peaks along with main peaks. Therefore, we can detect the individual unfolding pathway as the sequence of events labeled with their occurrences and co-occurrences special to bR's unfolding pathway. We find that side peaks do not co-occur with one another in curves as frequently as main peaks do, which may imply a synergistic effect occurring between helices. While main peaks co-occur as pairs in at least 50% of curves, the side peaks co-occur with one another in less than 10% of curves. Moreover, the algorithm runtime scales well as the dataset size increases. Conclusions Our algorithm satisfies the requirements of an automated methodology that combines high accuracy with efficiency in analyzing SMFS datasets. The algorithm tackles the force spectroscopy analysis bottleneck leading to more consistent and reproducible results.

  13. Single-cell Raman spectroscopy of irradiated tumour cells

    Science.gov (United States)

    Matthews, Quinn

    This work describes the development and application of a novel combination of single-cell Raman spectroscopy (RS), automated data processing, and principal component analysis (PCA) for investigating radiation induced biochemical responses in human tumour cells. The developed techniques are first validated for the analysis of large data sets (˜200 spectra) obtained from single cells. The effectiveness and robustness of the automated data processing methods is demonstrated, and potential pitfalls that may arise during the implementation of such methods are identified. The techniques are first applied to investigate the inherent sources of spectral variability between single cells of a human prostate tumour cell line (DU145) cultured in vitro. PCA is used to identify spectral differences that correlate with cell cycle progression and the changing confluency of a cell culture during the first 3-4 days after sub-culturing. Spectral variability arising from cell cycle progression is (i) expressed as varying intensities of protein and nucleic acid features relative to lipid features, (ii) well correlated with known biochemical changes in cells as they progress through the cell cycle, and (iii) shown to be the most significant source of inherent spectral variability between cells. This characterization provides a foundation for interpreting spectral variability in subsequent studies. The techniques are then applied to study the effects of ionizing radiation on human tumour cells. DU145 cells are cultured in vitro and irradiated to doses between 15 and 50 Gy with single fractions of 6 MV photons from a medical linear accelerator. Raman spectra are acquired from irradiated and unirradiated cells, up to 5 days post-irradiation. PCA is used to distinguish radiation induced spectral changes from inherent sources of spectral variability, such as those arising from cell cycle. Radiation induced spectral changes are found to correlate with both the irradiated dose and the

  14. 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

  15. 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.

  16. From Protein Structure to Function via Single Crystal Optical Spectroscopy

    Directory of Open Access Journals (Sweden)

    Luca eRonda

    2015-04-01

    Full Text Available The more than 100.000 protein structures determined by X-ray crystallography provide a wealth of information for the characterization of biological processes at the molecular level. However, several crystallographic artifacts, including conformational selection, crystallization conditions and radiation damages, may affect the quality and the interpretation of the electron density map, thus limiting the relevance of structure determinations. Moreover, for most of these structures no functional data have been obtained in the crystalline state, thus posing serious questions on their validity in the inference for protein mechanisms. In order to solve these issues, spectroscopic methods have been applied for the determination of equilibrium and kinetic properties of proteins in the crystalline state. These methods are UV-vis spectrophotometry, spectrofluorimetry, IR, EPR, Raman and resonance Raman spectroscopy. Some of these approaches have been implemented with on-line instruments at X-ray synchrotron beamlines. Here, we provide an overview of investigations predominantly carried out in our laboratory by single crystal polarized absorption UV-vis microspectrophotometry, the most applied technique for the functional characterization of proteins in the crystalline state. Studies on hemoglobins, pyridoxal 5’-phosphate dependent enzymes and green fluorescent protein in the crystalline state have addressed key biological issues, leading to either straightforward structure-function correlations or limitations to structure-based mechanisms.

  17. Photothermal cantilever actuation for fast single-molecule force spectroscopy

    Science.gov (United States)

    Stahl, Stefan W.; Puchner, Elias M.; Gaub, Hermann E.

    2009-07-01

    Photothermal cantilever excitation provides a fast and easy to implement means to control the deflection of standard atomic force microscopy cantilevers. Minute heat pulses yield deflections on the order of several tens of nanometers or when the deflection is kept constant, forces of several hundreds of piconewton can be applied. In our case these pulses resulted in less than 1 K temperature changes at the sample position. Here we present and characterize the implementation of photothermal actuation for single-molecule force-spectroscopy experiments. When molecules are stretched under force-clamp conditions, fast control cycles that re-establish the pulling force after the rupture of molecular domains are essential for detecting the complete unfolding pattern with high precision. By combining the fast response of photothermal cantilever excitation with a conventional piezoactuator, a fast force-clamp with high accuracy and large working distances is reached. Simple feedback mechanisms and standard cantilever geometries lead to step response times of less than 90 μs, which is more than one order of magnitude faster than those of conventional force-clamp systems that are based only on piezo feedback. We demonstrate the fast and accurate performance of the setup by unfolding a protein construct consisting of one green fluorescent protein and eight surrounding immunoglobulin domains at constant force.

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

    Directory of Open Access Journals (Sweden)

    Brandon Redding

    2015-08-01

    Full Text Available 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.

  19. 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.

  20. Quantitative analysis of hepatic fat fraction by single-breath-holding MR spectroscopy with T₂ correction: phantom and clinical study with histologic assessment.

    Science.gov (United States)

    Hayashi, Norio; Miyati, Tosiaki; Minami, Takashi; Takeshita, Yumie; Ryu, Yasuji; Matsuda, Tsuyoshi; Ohno, Naoki; Hamaguchi, Takashi; Kato, Kenichiro; Takamura, Toshinari; Matsui, Osamu

    2013-01-01

    The focus of this study was on the investigation of the accuracy of the fat fraction of the liver by use of single-breath-holding magnetic resonance spectroscopy (MRS) with T (2) correction. Single-voxel proton MRS was performed with several TE values, and the fat fraction was determined with and without T (2) correction. MRS was also performed with use of the point-resolved spectroscopy sequence in single breath holding. The T (2) values of both water and fat were determined separately at the same time, and the effect of T (2) on the fat fraction was corrected. In addition, MRS-based fat fractions were compared with the degree of hepatic steatosis (HS) by liver biopsy in human subjects. With T (2) correction, the MRI-derived fat fractions were in good agreement with the fat fractions in all phantoms, but the fat fractions were overestimated without T (2) correction. R (2) values were in good agreement with the preset iron concentrations in the phantoms. The MRI-derived fat fraction was well correlated with the degree of HS. Iron deposited in the liver affects the signal strength when proton MRS is used for detection of the fat signal in the liver. However, the fat signal can be evaluated more accurately when the T (2) correction is applied. Breath-holding MRS minimizes the respiratory motion, and it can be more accurate in the quantification of the hepatic fat fraction.

  1. 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

  2. Theoretical investigations of single particle spectroscopies of novel materials

    Energy Technology Data Exchange (ETDEWEB)

    Randeria, Mohit [The Ohio State Univ., Columbus, OH (United States)

    2017-02-24

    The project focused on three areas in the theoretical investigation of quantum materials. The first was novel magnetism in low dimensional systems, especially chiral magnetism and topological spin textures that can arise in thin films and at interfaces. The second related to high temperature superconductivity, and particularly on understanding puzzling features of quantum oscillations. The third related to collaborations with experimentalists on angle-resolved photoemission spectroscopy of high Tc superconductors and charge density wave materials.

  3. Development of new microscope unit for single molecule spectroscopy under various ambient conditions

    International Nuclear Information System (INIS)

    Yamada, T; Kaji, T; Ueda, R; Otomo, A

    2013-01-01

    This paper introduces techniques we previously developed for single molecule spectroscopy and continues on to describe our studies on dipole orientation imaging of single molecules under various ambient conditions. In these studies, we successfully obtained defocused images of single perylene diimide (PDI) molecules under air, high-vacuum, and pure N 2 gas conditions by utilizing the advantages of our new microscope unit. The studies are positioned as one of the important applications of our microscope unit for single molecule spectroscopy. We expect a wide range of applications for this unit for various microscope measurements for many types of materials.

  4. 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.

  5. Magnetic resonance spectroscopy of single centers in silicon quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Bagraev, Nikolay T., E-mail: impurity.dipole@mail.ioffe.r [Ioffe Physical-Technical Institute, 194021 St. Petersburg (Russian Federation); Klyachkin, Leonid E.; Kudryavtsev, Andrey A.; Malyarenko, Anna M. [Ioffe Physical-Technical Institute, 194021 St. Petersburg (Russian Federation)

    2009-12-15

    We present the new optically detected magnetic resonance (ODMR) technique which reveals single point defects in silicon quantum wells embedded in microcavities within frameworks of the excitonic normal-mode coupling (NMC) without the external cavity and the hf source.

  6. Heterodyne spectroscopy with superconducting single-photon detector

    International Nuclear Information System (INIS)

    Lobanov, Yu.V.; Shcherbatenko, M.L.; Semenov, A.V.; Kovalyuk, V.V.; Korneev, A.A.; Goltsman, G.N.

    2017-01-01

    We demonstrate successful operation of a Superconducting Single Photon Detector (SSPD) as the core element in a heterodyne receiver. Irradiating the SSPD by both a local oscillator power and signal power simultaneously, we observed beat signal at the intermediate frequency of a few MHz. Gain bandwidth was found to coincide with the detector single pulse width, where the latter depends on the detector kinetic inductance, determined by the superconducting nanowire length.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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......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...... calibration and analysis of the detection system, several theoretical simulations of the expected dynamics and associated optical response of the ion were undertaken. Finally, a new laser source based on second harmonic generation was developed in order to perform laser-cooling of Ca+ ions, and to serve...

  12. 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

  13. Time-resolved gamma spectroscopy of single events

    Science.gov (United States)

    Wolszczak, W.; Dorenbos, P.

    2018-04-01

    In this article we present a method of characterizing scintillating materials by digitization of each individual scintillation pulse followed by digital signal processing. With this technique it is possible to measure the pulse shape and the energy of an absorbed gamma photon on an event-by-event basis. In contrast to time-correlated single photon counting technique, the digital approach provides a faster measurement, an active noise suppression, and enables characterization of scintillation pulses simultaneously in two domains: time and energy. We applied this method to study the pulse shape change of a CsI(Tl) scintillator with energy of gamma excitation. We confirmed previously published results and revealed new details of the phenomenon.

  14. 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...

  15. 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.

  16. 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.

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

    OpenAIRE

    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)...

  18. 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

  19. 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

  20. Screening for Breast Cancer Using Near Field Infrared Spectroscopy of a Single Strand of Hair

    National Research Council Canada - National Science Library

    Erramilli, Shyamsunder

    2001-01-01

    ... predisposition to breast cancer because of the breast of a mutation of the BRCA1 gene. We would like to develop a new method for the screening of breast cancer based on infrared spectroscopy of a single strand of human hair...

  1. Single-component reflecting objective for low-temperature spectroscopy in the entire visible region

    NARCIS (Netherlands)

    Fujiyoshi, Satoru; Fujiwara, Masanori; Kim, Changman; Matsushita, Michio; Oijen, Antoine M. van; Schmidt, Jan

    2007-01-01

    A single-component reflecting objective was constructed for low-temperature spectroscopy with optimal imaging and transmission properties at all visible wavelengths. The performance of the objective immersed in superfluid helium at a temperature of 1.5 K was tested by comparing dark-field images of

  2. Surface-enhanced Raman spectroscopy of dyes: from single molecules to the artists' canvas.

    Science.gov (United States)

    Wustholz, Kristin L; Brosseau, Christa L; Casadio, Francesca; Van Duyne, Richard P

    2009-09-14

    This perspective presents recent surface-enhanced Raman spectroscopy (SERS) studies of dyes, with applications to the fields of single-molecule spectroscopy and art conservation. First we describe the development and outlook of single-molecule SERS (SMSERS). Rather than providing an exhaustive review of the literature, SMSERS experiments that we consider essential for its future development are emphasized. Shifting from single-molecule to ensemble-averaged experiments, we describe recent efforts toward SERS analysis of colorants in precious artworks. Our intention is to illustrate through these examples that the forward development of SERS is dependent upon both fundamental (e.g., SMSERS) and applied (e.g., on-the-specimen SERS of historical art objects) investigations and that the future of SERS is very bright indeed.

  3. Supramolecular Chemistry and Mechanochemistry of Macromolecules: Recent Advances by Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Cheng, Bo; Cui, Shuxun

    2015-01-01

    Atomic force spectroscopy (AFM)-based single-molecule force spectroscopy (SMFS) was invented in the 1990s. Since then, SMFS has been developed into a powerful tool to study the inter- and intra-molecular interactions of macromolecules. Using SMFS, a number of problems in the field of supramolecular chemistry and mechanochemistry have been studied at the single-molecule level, which are not accessible by traditional ensemble characterization methods. In this review, the principles of SMFS are introduced, followed by the discussion of several problems of contemporary interest at the interface of supramolecular chemistry and mechanochemistry of macromolecules, including single-chain elasticity of macromolecules, interactions between water and macromolecules, interactions between macromolecules and solid surface, and the interactions in supramolecular polymers.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. Proton magnetic resonance spectroscopy of temporal lobe white matter in patients with histologically proven hippocampal sclerosis

    NARCIS (Netherlands)

    Meiners, LC; van der Grond, J; van Rijen, PC; Springorum, R; de Kort, GAP; Jansen, GH

    The purpose of this study was to assess temporal lobe white matter changes accompanying hippocampal sclerosis on magnetic resonance (MR) imaging using single-voxel H-1 MR spectroscopy and to strengthen the hypothesis that these white matter changes are caused by myelin alterations. In 11 patients

  13. 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.

    2008-01-01

    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)

  14. 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.

  15. 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.

  16. Single HeLa and MCF-7 cell measurement using minimized impedance spectroscopy and microfluidic device

    Science.gov (United States)

    Wang, Min-Haw; Kao, Min-Feng; Jang, Ling-Sheng

    2011-06-01

    This study presents an impedance measurement system for single-cell capture and measurement. The microwell structure which utilizes nDEP force is used to single-cell capture and a minimized impedance spectroscopy which includes a power supply chip, an impedance measurement chip and a USB microcontroller chip is used to single-cell impedance measurement. To improve the measurement accuracy of the proposed system, Biquadratic fitting is used in this study. The measurement accuracy and reliability of the proposed system are compared to those of a conventional precision impedance analyzer. Moreover, a stable material, latex beads, is used to study the impedance measurement using the minimized impedance spectroscopy with cell-trapping device. Finally, the proposed system is used to measure the impedance of HeLa cells and MCF-7 cells. The impedance of single HeLa cells decreased from 9.55 × 103 to 3.36 × 103 Ω and the impedance of single MCF-7 cells decreased from 3.48 × 103 to 1.45 × 103 Ω at an operate voltage of 0.5 V when the excitation frequency was increased from 11 to 101 kHz. The results demonstrate that the proposed impedance measurement system successfully distinguishes HeLa cells and MCF-7 cells.

  17. Raman spectroscopy of single human tumour cells exposed to ionizing radiation in vitro

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, Q; Jirasek, A [Department of Physics and Astronomy, University of Victoria, Victoria BC V8W 3P6 (Canada); Brolo, AG [Department of Chemistry, University of Victoria, Victoria BC V8W 3V6 (Canada); Lum, J; Duan, X, E-mail: qmatthew@uvic.c, E-mail: jirasek@uvic.c [Deeley Research Centre, BC Cancer Agency-Vancouver Island Centre, Victoria BC V8R 6V5 (Canada)

    2011-01-07

    This work investigates the capability of Raman spectroscopy (RS) to study the effects of ionizing radiation on single human tumour cells. Prostate tumour cells (cell line DU145) are cultured in vitro and irradiated to doses between 15 and 50 Gy with single fractions of 6 MV photons. Single-cell Raman spectra are acquired from irradiated and unirradiated cultures up to 5 days post-irradiation. Principal component analysis is used to distinguish the uniquely radiation-induced spectral changes from inherent sources of spectral variability arising from cell cycle differences and other known factors. We observe uniquely radiation-induced spectral changes which are correlated with both the irradiated dose and the incubation time post-irradiation. The spectral changes induced by radiation arise from biochemical differences in lipids, nucleic acids, amino acids and conformational protein structures between irradiated and unirradiated cells. To our knowledge, this study is the first use of RS to observe radiation-induced biochemical differences in single cells, and is the first use of vibrational spectroscopy to observe uniquely radiation-induced biochemical differences in single cells independent of concurrent cell-cycle- or cell-death-related processes.

  18. Exploring Electronic Structure and Order in Polymers via Single-Particle Microresonator Spectroscopy.

    Science.gov (United States)

    Horak, Erik H; Rea, Morgan T; Heylman, Kevin D; Gelbwaser-Klimovsky, David; Saikin, Semion K; Thompson, Blaise J; Kohler, Daniel D; Knapper, Kassandra A; Wei, Wei; Pan, Feng; Gopalan, Padma; Wright, John C; Aspuru-Guzik, Alán; Goldsmith, Randall H

    2018-02-08

    PSS, a transparent electrically conductive polymer, finds widespread use in electronic devices. While empirical efforts have increased conductivity, a detailed understanding of the coupled electronic and morphological landscapes in PEDOT:PSS has lagged due to substantial structural heterogeneity on multiple length-scales. We use an optical microresonator-based absorption spectrometer to perform single-particle measurements, providing a bottom-up examination of electronic structure and morphology ranging from single PEDOT:PSS polymers to nascent films. Using single-particle spectroscopy with complementary theoretical calculations and ultrafast spectroscopy, we demonstrate that PEDOT:PSS displays bulk-like optical response even in single polymers. We find highly ordered PEDOT assemblies with long-range ordering mediated by the insulating PSS matrix and reveal a preferential surface orientation of PEDOT nanocrystallites absent in bulk films with implications for interfacial electronic communication. Our single-particle perspective provides a unique window into the microscopic structure and electronic properties of PEDOT:PSS.

  19. Detection and characterization of chemical aerosol using laser-trapping single-particle Raman spectroscopy.

    Science.gov (United States)

    Kalume, Aimable; Beresnev, Leonid A; Santarpia, Joshua; Pan, Yong-Le

    2017-08-10

    Detection and characterization of the presence of chemical agent aerosols in various complex atmospheric environments is an essential defense mission. Raman spectroscopy has the ability to identify chemical molecules, but there are limited numbers of photons detectable from single airborne aerosol particles as they are flowing through a detection system. In this paper, we report on a single-particle Raman spectrometer system that can measure strong spontaneous, stimulated, and resonance Raman spectral peaks from a single laser-trapped chemical aerosol particle, such as a droplet of the VX nerve agent chemical simulant diethyl phthalate. Using this system, time-resolved Raman spectra and elastic scattered intensities were recorded to monitor the chemical properties and size variation of the trapped particle. Such a system supplies a new approach for the detection and characterization of single airborne chemical aerosol particles.

  20. 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.

  1. 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.

  2. Imaging and electron energy-loss spectroscopy using single nanosecond electron pulses.

    Science.gov (United States)

    Picher, Matthieu; Bücker, Kerstin; LaGrange, Thomas; Banhart, Florian

    2018-03-13

    We implement a parametric study with single electron pulses having a 7 ns duration to find the optimal conditions for imaging, diffraction, and electron energy-loss spectroscopy (EELS) in the single-shot approach. Photoelectron pulses are generated by illuminating a flat tantalum cathode with 213 nm nanosecond laser pulses in a 200 kV transmission electron microscope (TEM) with thermionic gun and Wehnelt electrode. For the first time, an EEL spectrometer is used to measure the energy distribution of single nanosecond electron pulses which is crucial for understanding the ideal imaging conditions of the single-shot approach. By varying the laser power, the Wehnelt bias, and the condenser lens settings, the optimum TEM operation conditions for the single-shot approach are revealed. Due to space charge and the Boersch effect, the energy width of the pulses under maximized emission conditions is far too high for imaging or spectroscopy. However, by using the Wehnelt electrode as an energy filter, the energy width of the pulses can be reduced to 2 eV, though at the expense of intensity. The first EEL spectra taken with nanosecond electron pulses are shown in this study. With 7 ns pulses, an image resolution of 25 nm is attained. It is shown how the spherical and chromatic aberrations of the objective lens as well as shot noise limit the resolution. We summarize by giving perspectives for improving the single-shot time-resolved approach by using aberration correction. Copyright © 2018 Elsevier B.V. All rights reserved.

  3. 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.

  4. Nonlinearly Additive Forces in Multivalent Ligand Binding to a Single Protein Revealed with Force Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ratto, T V; Rudd, R E; Langry, K C; Balhorn, R L; McElfresh, M W

    2005-07-15

    We present evidence of multivalent interactions between a single protein molecule and multiple carbohydrates at a pH where the protein can bind four ligands. The evidence is based not only on measurements of the force required to rupture the bonds formed between ConcanavalinA (ConA) and {alpha}-D-mannose, but also on an analysis of the polymer-extension force curves to infer the polymer architecture that binds the protein to the cantilever and the ligands to the substrate. We find that although the rupture forces for multiple carbohydrate connections to a single protein are larger than the rupture force for a single connection, they do not scale additively with increasing number. Specifically, the most common rupture forces are approximately 46, 66, and 85 pN, which we argue corresponds to 1, 2, and 3 ligands being pulled simultaneously from a single protein as corroborated by an analysis of the linkage architecture. As in our previous work polymer tethers allow us to discriminate between specific and non-specific binding. We analyze the binding configuration (i.e. serial versus parallel connections) through fitting the polymer stretching data with modified Worm-Like Chain (WLC) models that predict how the effective stiffness of the tethers is affected by multiple connections. This analysis establishes that the forces we measure are due to single proteins interacting with multiple ligands, the first force spectroscopy study that establishes single-molecule multivalent binding unambiguously.

  5. 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

  6. 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.

  7. Marangoni Convection Assisted Single Molecule Detection with Nanojet Surface Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Chang, Te-Wei; Wang, Xinhao; Mahigir, Amirreza; Veronis, Georgios; Liu, Gang Logan; Gartia, Manas Ranjan

    2017-08-25

    Many single-molecule (SM) label-free techniques such as scanning probe microscopies (SPM) and magnetic force spectroscopies (MFS) provide high resolution surface topography information, but lack chemical information. Typical surface enhanced Raman spectroscopy (SERS) systems provide chemical information on the analytes, but lack spatial resolution. In addition, a challenge in SERS sensors is to bring analytes into the so-called "hot spots" (locations where the enhancement of electromagnetic field amplitude is larger than 10 3 ). Previously described methods of fluid transport around hot spots like thermophoresis, thermodiffusion/Soret effect, and electrothermoplasmonic flow are either too weak or detrimental in bringing new molecules to hot spots. Herein, we combined the resonant plasmonic enhancement and photonic nanojet enhancemnet of local electric field on nonplanar SERS structures, to construct a stable, high-resolution, and below diffraction limit platform for single molecule label-free detection. In addition, we utilize Marangoni convection (mass transfer due to surface tension gradient) to bring new analytes into the hotspot. An enhancement factor of ∼3.6 × 10 10 was obtained in the proposed system. Rhodamine-6G (R6G) detection of up to a concentration of 10 -12 M, an improvement of two orders of magnitude, was achieved using the nanojet effect. The proposed system could provide a simple, high throughput SERS system for single molecule analysis at high spatial resolution.

  8. Non-degenerate pump-probe spectroscopy of single GaN nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Upadhya, Prashanth C [Los Alamos National Laboratory; Taylor, Antoinette J [Los Alamos National Laboratory; Prasankumar, Rohiy P [Los Alamos National Laboratory; Wang, George T [SNL; Martinez, Julio A [SNL; Li, Qiming [SNL; Swartzentruber, Brian S [SNL

    2010-01-01

    Spatially-resolved ultrafast transient absorption measurements on a single GaN nanowire give insight into carrier relaxation dynamics as a function of the probe polarization and position on the nanowire on a femtosecond timescale. The synthesis and optical characterization of semiconductor nanowires (NWs) has gained considerable attention in recent years owing to their unique electronic and optical properties that arise from their anisotropic geometry, large surface to volume ratio and two-dimensional quasiparticle confinement, Post-growth characterization of their properties is crucial in understanding the fundamental physical processes that can lead to enhanced functionality of NW-based devices, In particular, it is important to understand the carrier relaxation pathways in individual NWs, since the geometry of these nanostructures can significantly influence carrier recombination and/or trapping. In this respect, ultrafast optical techniques offer reliable and non-contact spectroscopic tools to study carrier dynamics in semiconductor nanostructures. In summary, time-resolved optical pump-probe spectroscopy was performed on single GaN NWs. These measurements give insight into the different processes that govern carrier capture, particularly at surface states, and relaxation in individual nanostructures. Our experiments thus demonstrate the value of single-particle ultrafast optical spectroscopy in understanding the physical processes that govern the properties of semiconductor NWs, while suggesting approaches to optimize NW-based devices for nanophotonic applications.

  9. Fluorescence spectroscopy of single molecules at room temperature and its applications

    Energy Technology Data Exchange (ETDEWEB)

    Ha, Taekjip [Univ. of California, Berkeley, CA (United States)

    1996-12-01

    We performed fluorescence spectroscopy of single and pairs of dye molecules on a surface at room temperature. Near field scanning optical microscope (NSOM) and far field scanning optical microscope with multi-color excitation/detection capability were built. The instrument is capable of optical imaging with 100nm resolution and has the sensitivity necessary for single molecule detection. A variety of dynamic events which cannot be observed from an ensemble of molecules is revealed when the molecules are probed one at a time. They include (1) spectral jumps correlated with dark states, (2) individually resolved quantum jumps to and from the meta-stable triplet state, (3) rotational jumps due to desorption/readsorption events of single molecules on the surface. For these studies, a computer controlled optical system which automatically and rapidly locates and performs spectroscopic measurements on single molecules was developed. We also studied the interaction between closely spaced pairs of molecules. In particular, fluorescence resonance energy transfer between a single resonant pair of donor and acceptor molecules was measured. Photodestruction dynamics of the donor or acceptor were used to determine the presence and efficiency of energy transfer Dual molecule spectroscopy was extended to a non-resonant pair of molecules to obtain high resolution differential distance information. By combining NSOM and dual color scheme, we studied the co-localization of parasite proteins and host proteins on a human red blood cell membrane infected with malaria. These dual-molecule techniques can be used to measure distances, relative orientations, and changes in distances/orientations of biological macromolecules with very good spatial, angular and temporal resolutions, hence opening new capabilities in the study of such systems.

  10. 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))).

  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. Low Temperature Scanning Tunneling Spectroscopy of isolated Mn12-Ph Single Molecule Magnets

    Science.gov (United States)

    Reaves, K.; Han, P.; Iwaya, K.; Hitosugi, T.; Packwood, D.; Katzgraber, H. G.; Zhao, H.; Dunbar, K. R.; Kim, K.; Teizer, W.

    2015-03-01

    We study Mn12O12(C6H5COO)16(H2O)4 (Mn12-Ph) single-molecule magnets on a Cu(111) surface using scanning tunneling microscopy and scanning tunneling spectroscopy at cryogenic temperatures (T a strong bias voltage dependence within the molecular interior. The qualitative features of these I vs.V curves differ by spatial location in several intriguing ways (e.g. fixed junction impedance with increasing bias voltages). We explore these normalized I vs. V curves and present a phenomenological explanation for the observed behaviors, corresponding to the physical and electronic structure within the molecule. Funding from WPI-AIMR.

  13. Raman imaging and spectroscopy of individual single-wall carbon nanotubes

    Science.gov (United States)

    Zhang, Li

    Single-wall carbon nanotubes (SWNT) are unique one-dimensional materials that are promising for many potential applications in various important areas. Their vibrational properties reflect the electron and phonon confinement as well as the structures of the tubes. Resonant Raman spectroscopy has been proven to be an exceedingly powerful tool for the characterization of the vibrational and electronic properties of SWNTs. This thesis focuses on the study of Raman spectroscopy of individual single carbon nanotubes. Single tube spectroscopy allows probing the structure dependent properties of SWNTs. A beam-scanning confocal Raman microscope system capable of large-area Raman imaging is first developed for characterizing SWNTs at the single tube level. Raman images and first-order Raman spectra of nanotubes, consisting of both semicoducting and metallic nanotubes, are systemically studied at room temperature in ambient air. The diameter of the nanotubes is determined from their radial breathing mode (RBM) frequency. A broad diameter distribution is observed for nanotubes synthesized by chemical vapor deposition. The tangential G mode Raman spectra of individual metallic nanotubes are found to exhibit a broad distribution of line shapes, which is attributed to shift of the Fermi level due to O2 adsorption. The doping dependence of Raman spectra of metallic tubes is further studied by both electrostatic gating and electrochemical gating. Significant changes in the G band Raman spectra of nanotubes are observed, suggesting the effect of doping on electron-phonon interaction. The observation of a gradual evolution of G band spectrum from a semiconducting type to the broad BWF type reveals evidence of phonon interaction between two G band modes. Raman imaging and Raman spectra of isolated SWNTs and single-layer graphenen are investigated at both room temperature and low temperature. The temperature-induced Raman spectral change of individual nanotubes is observed to be tube

  14. 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

  15. 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....

  16. Coherent multi-dimensional spectroscopy at optical frequencies in a single beam with optical readout

    Science.gov (United States)

    Seiler, Hélène; Palato, Samuel; Kambhampati, Patanjali

    2017-09-01

    Ultrafast coherent multi-dimensional spectroscopies form a powerful set of techniques to unravel complex processes, ranging from light-harvesting, chemical exchange in biological systems to many-body interactions in quantum-confined materials. Yet these spectroscopies remain complex to implement at the high frequencies of vibrational and electronic transitions, thereby limiting their widespread use. Here we demonstrate the feasibility of two-dimensional spectroscopy at optical frequencies in a single beam. Femtosecond optical pulses are spectrally broadened to a relevant bandwidth and subsequently shaped into phase coherent pulse trains. By suitably modulating the phases of the pulses within the beam, we show that it is possible to directly read out the relevant optical signals. This work shows that one needs neither complex beam geometries nor complex detection schemes in order to measure two-dimensional spectra at optical frequencies. Our setup provides not only a simplified experimental design over standard two-dimensional spectrometers but its optical readout also enables novel applications in microscopy.

  17. Voxels: volume-enclosing microstructures

    International Nuclear Information System (INIS)

    Gagler, Rob; Bugacov, Alejandro; Koel, Bruce E; Will, Peter M

    2008-01-01

    This paper presents results on the development and fabrication of hollow 3D, programmable-volume, micro-scale, artificial, non-biological volume cells or voxels. The standardized silicon wafer processing method PolyMUMPs® was used to construct a variety of polysilicon devices capable of being folded from two-dimensional shapes into three-dimensional regular solids with dimensions in the order of 40–80 µm per side. Folding of the devices was performed by a combination of magnetic and surface tension forces in water. Complete closure of pyramidal structures with dimensions down to 40 µm per side was achieved, as well as folding of five-sided boxes and half-dodecahedrons (lotuses) with dimensions down to 40 µm per side

  18. Voxels: volume-enclosing microstructures

    Science.gov (United States)

    Gagler, Rob; Bugacov, Alejandro; Koel, Bruce E.; Will, Peter M.

    2008-05-01

    This paper presents results on the development and fabrication of hollow 3D, programmable-volume, micro-scale, artificial, non-biological volume cells or voxels. The standardized silicon wafer processing method PolyMUMPs® was used to construct a variety of polysilicon devices capable of being folded from two-dimensional shapes into three-dimensional regular solids with dimensions in the order of 40-80 µm per side. Folding of the devices was performed by a combination of magnetic and surface tension forces in water. Complete closure of pyramidal structures with dimensions down to 40 µm per side was achieved, as well as folding of five-sided boxes and half-dodecahedrons (lotuses) with dimensions down to 40 µm per side.

  19. 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.

  20. 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.

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

    Directory of Open Access Journals (Sweden)

    Riccardo Frisenda

    2015-12-01

    Full Text Available We study single-molecule oligo(phenylene ethynylenedithiol 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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)

  7. spectroscopy

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-14

    Oct 14, 2015 ... Full Length Research Paper. Determination of lactic acid bacteria in Kaşar cheese and identification by Fourier transform infrared (FTIR) spectroscopy. İlkay Turhan1* and Zübeyde Öner2. 1Department of Nutrition and Dietetic, School of Health Sciences, T.C.Istanbul Arel University, 34537 Buyukcekmece /.

  8. 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.))

  9. 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.

  10. 2H nuclear magnetic resonance spectroscopy of deuterium adsorption on single-walled carbon nanotubes

    Science.gov (United States)

    Shen, Kai; Pietraß, Tanja

    2004-03-01

    2H nuclear magnetic resonance (NMR) spectroscopy was employed to study the interaction between deuterated hydrogen gas and single walled carbon nanotubes before and after purification. Transmission electron micrographs revealed strong bundling of the tubes. After purification, very little amorphous carbon and no graphitic particles were present, implying that the interactions observed are truly due to the nanotubes. In the parent material, the NMR signal is dominated by interaction of hydrogen with residual metal catalyst particles. For purified material, hydrogen in the gas phase is discernible from adsorbed hydrogen. The two phases do not exchange with each other on a ms time scale. The hydrogen molecules move among different adsorption sites, presumably outer tube surfaces and interstitial channels. This process is diffusion limited in the pressure range investigated.

  11. 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.

  12. 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

  13. The spectroscopy of the neutral and singly ionized transuranium elements, Np to Es

    International Nuclear Information System (INIS)

    Worden, E.F.

    1990-01-01

    This presentation will be a review of the optical spectroscopy of the neutral and singly ionized species of the elements Np through Es, the I and II spectra. Observation and energy level analyses of these spectra have been in progress for each element as soon as sufficient quantities were produced. A list of the researchers would exceed the allowed abstract length. Procedures for obtaining spectra of these highly radioactive elements and for energy level analysis will be described. The chemistry of these elements is usually well established before there is a substantial knowledge of the electronic structure. The regularities found in the electronic structure of the 5f actinide series will be shown and compared with that of the 4f lanthanide series. Some discussion of the structure as it relates to the chemistry of the transuranic elements will be given

  14. 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.

  15. 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

    2015-01-05

    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.

  16. 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)

  17. 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

  18. X-ray photoelectron spectroscopy studies on single crystalline β-FeSi{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Wei, E-mail: mao@nuclear.jp [The Micro Analysis Laboratory, Tandem Accelerator, The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Udono, Haruhiko [Department of Electrical and Electronic Engineering, Ibaraki University, Hitachi, Ibaraki 316-8511 (Japan); Yamaguchi, Kenji [Quantum Beam Science Directorate, Japan Atomic Energy Agency, 2-4 Shirakata-shirane, Tokai, Naka, Ibaraki 319-1195 (Japan); Terai, Takayuki [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Matsuzaki, Hiroyuki [The Micro Analysis Laboratory, Tandem Accelerator, The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2016-05-01

    In order to realize the photoluminescence of semiconducting β-FeSi{sub 2} homoepitaxial films, surface preparation of single crystalline β-FeSi{sub 2} is of critical importance. An atomically flat and clean substrate surface of β-FeSi{sub 2} was prepared by sputtering with 2 keV Ar{sup +} ions or by heating at 850 °C. The structure of the native surface oxide and the removal of this layer were investigated though X-ray photoelectron spectroscopy measurements. No significant deviation of the stoichiometry was detected in the surface region. Our results suggest that a surface prepared in this way is an eligible substrate for homoepitaxy of β-FeSi{sub 2}. - Highlights: • A clean surface of single crystalline (beta)-FeSi{sub 2} was prepared by Ar{sup +} sputtering or by heating. • The removal of surface oxide during the surface treatment is elucidated. • The native surface oxides are identified as SiO{sub 2} on top and SiO{sub x} as the inner layer. • There is no significant deviation of surface stoichiometry on the clean surface.

  19. 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.

  20. Identification of Intensity Ratio Break Points from Photon Arrival Trajectories in Ratiometric Single Molecule Spectroscopy

    Science.gov (United States)

    Bingemann, Dieter; Allen, Rachel M.

    2012-01-01

    We describe a statistical method to analyze dual-channel photon arrival trajectories from single molecule spectroscopy model-free to identify break points in the intensity ratio. Photons are binned with a short bin size to calculate the logarithm of the intensity ratio for each bin. Stochastic photon counting noise leads to a near-normal distribution of this logarithm and the standard student t-test is used to find statistically significant changes in this quantity. In stochastic simulations we determine the significance threshold for the t-test’s p-value at a given level of confidence. We test the method’s sensitivity and accuracy indicating that the analysis reliably locates break points with significant changes in the intensity ratio with little or no error in realistic trajectories with large numbers of small change points, while still identifying a large fraction of the frequent break points with small intensity changes. Based on these results we present an approach to estimate confidence intervals for the identified break point locations and recommend a bin size to choose for the analysis. The method proves powerful and reliable in the analysis of simulated and actual data of single molecule reorientation in a glassy matrix. PMID:22837704

  1. 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

  2. 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.

  3. 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

    , Lund University (Sweden) together with ID Quantique Inc. (Geneve, Switzerland). As such, the report does not give an introduction to PToF spectroscopy, which may be found om the Doctoral on the topic [2, 18, 1]. The report focuses on a description of the detectors ability to measure the PTo......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......F distribution of infrared light. First, a motivation for using the ID220 for measuring PToF distribution is given, followed by a brief description of the experimental setup in which the detector was characterized. Following this, the quantification of delay using cross correlation between PToF distributions...

  4. 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

  5. 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

  6. Voxel-based morphometry: current perspectives

    Directory of Open Access Journals (Sweden)

    Scarpazza C

    2016-07-01

    Full Text Available Cristina Scarpazza,1,2 Maria Stefania De Simone,3 1Department of Psychosis Studies, Institute of Psychiatry, Psychology & Neuroscience, King’s College London, London, UK; 2Department of General Psychology, University of Padua, Padua, 3Laboratory of Clinical and Behavioural Neurology, IRCCS Santa Lucia Foundation, Rome, Italy Abstract: Voxel-based morphometry (VBM is a widely used automated technique for the analysis of neuroanatomical images. This work, which reviews important VBM clinical findings of the last few years, is divided into two main sections. After briefly introducing VBM methodology, in the first part, VBM findings on neurological and psychiatric diseases have been discussed separately. The reported studies were divided into studies that examine the diagnostic value of VBM results and their usefulness for the differential diagnosis between two disorders; studies investigating the potential of VBM for the diagnosis in an early stage of the illness, and studies that examine the utility of VBM for predicting the transition from prodromal phase to full-blown disease. In the second part, this review focuses on the most recent findings on the single-case approach. This analysis is useful for promoting the translational impact of VBM results in clinical practice, where clinicians need to make inferences at the level of the individual patient. Finally, within the single-case approach, a paragraph is dedicated to the potential forensic applications of VBM. Indeed, if used to support and integrate results obtained with classical forensic evaluations, VBM may provide objective data that could be used to reduce controversy in forensic psychiatric evaluations of mental insanity. In this second part, particular emphasis is given to the problem of results interpretation, which should be based mainly on the presence of anatomoclinical correlation. The review finishes with a provocative note reporting an interesting result of a single-case VBM

  7. 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

  8. 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

  9. Interaction of von Willebrand factor domains with collagen investigated by single molecule force spectroscopy

    Science.gov (United States)

    Posch, Sandra; Obser, Tobias; König, Gesa; Schneppenheim, Reinhard; Tampé, Robert; Hinterdorfer, Peter

    2018-03-01

    von Willebrand factor (VWF) is a huge multimeric protein that plays a key role in primary hemostasis. Sites for collagen binding, an initial event of hemostasis, are located in the VWF-domains A1 and A3. In this study, we investigated single molecule interactions between collagen surfaces and wild type VWF A1A2A3 domain constructs, as well as clinically relevant VWF A3 domain point mutations, such as p.Ser1731Thr, p.Gln1734His, and p.His1786Arg. For this, we utilized atomic force microscopy based single molecular force spectroscopy. The p.Ser1731Thr mutant had no impact on the VWF-collagen type III and VI interactions, while the p.Gln1734His and p.His1786Arg mutants showed a slight increase in bond stability to collagen type III. This effect probably arises from additional hydrogen bonds that come along with the introduction of these mutations. Using the same mutants, but collagen type VI as a binding partner, resulted in a significant increase in bond stability. VWF domain A1 was reported to be essential for the interaction with collagen type VI and thus our findings strengthen the hypothesis that the VWF A1 domain can compensate for mutations in the VWF A3 domain. Additionally, our data suggest that the mutations could even stabilize the interaction between VWF and collagen without shear. VWF-collagen interactions seem to be an important system in which defective interactions between one VWF domain and one type of collagen can be compensated by alternative binding events.

  10. 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.

  11. Kinetic Ductility and Force-Spike Resistance of Proteins from Single-Molecule Force Spectroscopy.

    Science.gov (United States)

    Cossio, Pilar; Hummer, Gerhard; Szabo, Attila

    2016-08-23

    Ductile materials can absorb spikes in mechanical force, whereas brittle ones fail catastrophically. Here we develop a theory to quantify the kinetic ductility of single molecules from force spectroscopy experiments, relating force-spike resistance to the differential responses of the intact protein and the unfolding transition state to an applied mechanical force. We introduce a class of unistable one-dimensional potential surfaces that encompass previous models as special cases and continuously cover the entire range from ductile to brittle. Compact analytic expressions for force-dependent rates and rupture-force distributions allow us to analyze force-clamp and force-ramp pulling experiments. We find that the force-transmitting protein domains of filamin and titin are kinetically ductile when pulled from their two termini, making them resistant to force spikes. For the mechanostable muscle protein titin, a highly ductile model reconciles data over 10 orders of magnitude in force loading rate from experiment and simulation. Copyright © 2016 Biophysical Society. All rights reserved.

  12. Vibrational and structural investigation of SOUL protein single crystals by using micro-Raman spectroscopy

    Science.gov (United States)

    Rossi, Barbara; Giarola, Marco; Mariotto, Gino; Ambrosi, Emmanuele; Monaco, Hugo L.

    2010-05-01

    Protein SOUL is a new member of the recently discovered putative heme-binding protein family called SOUL/HEBP and, to date, no structural information exists for this protein. Here, micro-Raman spectroscopy is used to study the vibrational properties of single crystals obtained from recombinant protein SOUL by means of two different optimization routes. This spectroscopic approach offers the valuable advantage of the in-situ collection of experimental data from protein crystals, placed onto a hanging-drop plate, under the same conditions used to grow the crystals. By focusing on the regions of amides I and III bands, some secondary structure characteristic features have been recognized. Moreover, some side-chain marker bands were observed in the Raman spectra of SOUL crystals and the unambiguous assignment of these peaks inferred by comparing the experimental Raman spectra of pure amino acids and their Raman intensities computed using quantum chemical calculations. Our comparative analysis allows to get a deeper understanding of the side-chain environments and of the interactions involving these specific amino acids in the two different SOUL crystals.

  13. 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.

  14. 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

  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. 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

  17. 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

  18. 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

  19. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang

    2014-12-10

    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. Organic semiconductors are emerging as viable materials for low-cost electronics and optoelectronics, such as organic photovoltaics (OPV), organic field effect transistors (OFETs), and organic light emitting diodes (OLEDs). Despite extensive studies spanning many decades, a clear understanding of the nature of charge carriers in organic semiconductors is still lacking. It is generally appreciated that polaron formation and charge carrier trapping are two hallmarks associated with electrical transport in organic semiconductors; the former results from the low dielectric constants and weak intermolecular electronic overlap while the latter can be attributed to the prevalence of structural disorder. These properties have lead to the common observation of low charge carrier mobilities, e.g., in the range of 10-5 - 10-3 cm2/Vs, particularly at low carrier concentrations. However, there is also growing evidence that charge carrier mobility approaching those of inorganic semiconductors and metals can exist in some crystalline organic semiconductors, such as pentacene, tetracene and rubrene. A particularly striking example is single crystal rubrene (Figure 1), in which hole mobilities well above 10 cm2/Vs have been observed in OFETs operating at room temperature. Temperature dependent transport and spectroscopic measurements both revealed evidence of free carriers in rubrene. Outstanding questions are: what are the structural features and physical properties that make rubrene so unique? How do we establish fundamental design principles for the development of other organic semiconductors of high mobility? These questions are critically important but not comprehensive, as the nature of

  1. 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)

  2. 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.)

  3. 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.

  4. 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

    . 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...... 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...... copper foil. The terahertz and micro four-point probe conductance values of the graphene grown on single crystalline copper shows a close to unity correlation, in contrast with those of the graphene grown on commercial copper foil, which we explain by the absence of extended defects on the microscale...

  5. 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.

  6. 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

  7. 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

  8. 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.

  9. Life in extreme environments: single molecule force spectroscopy as a tool to explore proteins from extremophilic organisms.

    Science.gov (United States)

    Tych, Katarzyna M; Hoffmann, Toni; Batchelor, Matthew; Hughes, Megan L; Kendrick, Katherine E; Walsh, Danielle L; Wilson, Michael; Brockwell, David J; Dougan, Lorna

    2015-04-01

    Extremophiles are organisms which survive and thrive in extreme environments. The proteins from extremophilic single-celled organisms have received considerable attention as they are structurally stable and functionally active under extreme physical and chemical conditions. In this short article, we provide an introduction to extremophiles, the structural adaptations of proteins from extremophilic organisms and the exploitation of these proteins in industrial applications. We provide a review of recent developments which have utilized single molecule force spectroscopy to mechanically manipulate proteins from extremophilic organisms and the information which has been gained about their stability, flexibility and underlying energy landscapes.

  10. Structural defect induced peak splitting in gold-copper bimetallic nanorods during growth by single particle spectroscopy.

    Science.gov (United States)

    Thota, Sravan; Chen, Shutang; Zhou, Yadong; Zhang, Yong; Zou, Shengli; Zhao, Jing

    2015-09-21

    A single particle level study of bimetallic nanoparticle growth provides valuable information that is usually hidden in ensemble measurements, helping to improve the understanding of a reaction mechanism and overcome the synthetic challenges. In this study, we use single particle spectroscopy to monitor the changes in the scattering spectra of Au-Cu alloy nanorods during growth. We found that the unique features of the single particle scattering spectra were due to atomic level geometric defects in the nanorods. Electrodynamics simulations have demonstrated that small structural defects of a few atomic layers split the scattering peaks, giving rise to higher order modes, which do not exist in defect-free rods of similar geometry. The study shows that single particle scattering technique is as sensitive as high-resolution electron microscopy in revealing atomic level structural defects.

  11. Optimal voxel size for measuring global gray and white matter proton metabolite concentrations using chemical shift imaging

    DEFF Research Database (Denmark)

    Hanson, Lars Peter Grüner; Adalsteinsson, E; Pfefferbaum, A

    2000-01-01

    compared to single voxel methods. In the present study, the optimal voxel size is calculated from segmented human brain data and accompanying field maps. The optimal voxel size is found to be approximately 8 cc, but a wide range of values, 4-64 cc, can be chosen with little increase in estimated......Quantification of gray and white matter levels of spectroscopically visible metabolites can provide important insights into brain development and pathological conditions. Chemical shift imaging offers a gain in efficiency for estimation of global gray and white matter metabolite concentrations...

  12. Fast single-photon avalanche diode arrays for laser Raman spectroscopy

    NARCIS (Netherlands)

    Blacksberg, J.; Maruyama, Y.; Charbon, E.; Rossman, G.R.

    2011-01-01

    We incorporate newly developed solid-state detector technology into time-resolved laser Raman spectroscopy, demonstrating the ability to distinguish spectra from Raman and fluorescence processes. As a proof of concept, we show fluorescence rejection on highly fluorescent mineral samples willemite

  13. 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...

  14. Building Point Detection from Vehicle-Borne LiDAR Data Based on Voxel Group and Horizontal Hollow Analysis

    Directory of Open Access Journals (Sweden)

    Yu Wang

    2016-05-01

    Full Text Available Information extraction and three-dimensional (3D reconstruction of buildings using the vehicle-borne laser scanning (VLS system is significant for many applications. Extracting LiDAR points, from VLS, belonging to various types of building in large-scale complex urban environments still retains some problems. In this paper, a new technical framework for automatic and efficient building point extraction is proposed, including three main steps: (1 voxel group-based shape recognition; (2 category-oriented merging; and (3 building point identification by horizontal hollow ratio analysis. This article proposes a concept of “voxel group” based on the voxelization of VLS points: each voxel group is composed of several voxels that belong to one single real-world object. Then the shapes of point clouds in each voxel group are recognized and this shape information is utilized to merge voxel group. This article puts forward a characteristic nature of vehicle-borne LiDAR building points, called “horizontal hollow ratio”, for efficient extraction. Experiments are analyzed from two aspects: (1 building-based evaluation for overall experimental area; and (2 point-based evaluation for individual building using the completeness and correctness. The experimental results indicate that the proposed framework is effective for the extraction of LiDAR points belonging to various types of buildings in large-scale complex urban environments.

  15. 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.

  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. Lipopolyamine-mediated single nanoparticle formation of calf thymus DNA analyzed by fluorescence correlation spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Adjimatera, N.; Kral, Teresa; Hof, Martin; Blagbrough, I. S.

    2006-01-01

    Roč. 23, č. 7 (2006), s. 1564-1573 ISSN 0724-8741 R&D Projects: GA AV ČR IAA400400621; GA ČR GA203/05/2308 Institutional research plan: CEZ:AV0Z40400503 Keywords : N1-cholesteryl spermine carbamate * N4, N9-dioleoyl spermine * fluorescence correlation spectroscopy * lipopolyamines Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.848, year: 2006

  18. Multi-resonance effects within a single chirp in broadband rotational spectroscopy: The rapid adiabatic passage regime for benzonitrile

    Science.gov (United States)

    Schmitz, David; Alvin Shubert, V.; Betz, Thomas; Schnell, Melanie

    2012-10-01

    We report here pronounced, stepwise multi-resonance excitations in benzonitrile arising from a single 1 μs broadband 2-8.3 GHz microwave chirp, observed with our new chirped-pulse broadband rotational spectrometer, COMPACT. Such multi-resonance excitations significantly alter the relative intensity patterns and are a strong indication that, for the given experimental conditions and using benzonitrile as a polar test molecule (μA = 4.5152 D), the rapid adiabatic passage (RAP) regime for strong coupling must be applied. This finding is contrary to previous discussions of chirped-pulse rotational spectroscopy, where the linear fast passage regime of weak coupling has been assumed.

  19. 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.)

  20. 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.

  1. 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.

  2. 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.

  3. 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,

  4. 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...... with a commercial cell adhesive CellTakTM. The method was applied to four different bacterial strains, and single-cell adhesion was measured on three surfaces (fresh glass, hydrophilic glass, mica). Attachment to the cantilever was stable during the 2 h of AFM force measurements, and viability was confirmed by Live....../Dead fluorescence staining at the end of each experiment. The adhesion force and final rupture length were dependent on bacterial strains, surfaces properties, and time of contact. The single-cell probe offers control of the cell immobilization, thus holds advantages over the commonly used multi-cell probes where...

  5. Force spectroscopy of hyaluronan by atomic force microscopy: from hydrogen-bonded networks toward single-chain behavior.

    Science.gov (United States)

    Giannotti, Marina I; Rinaudo, Marguerite; Vancso, G Julius

    2007-09-01

    The conformational behavior of hyaluronan (HA) polysaccharide chains in aqueous NaCl solution was characterized directly at the single-molecule level. This communication reports on one of the first single-chain atomic force microscopy (AFM) experiments performed at variable temperatures, investigating the influence of the temperature on the stability of the HA single-chain conformation. Through AFM single-molecule force spectroscopy, the temperature destabilization of a local structure was proven. This structure involved a hydrogen-bonded network along the polymeric chain, with hydrogen bonds between the polar groups of HA and possibly water, and a change from a nonrandom coil to a random coil behavior was observed when increasing the temperature from 29 +/- 1 to 46 +/- 1 degrees C. As a result of the applied force, this superstructure was found to break progressively at room temperature. The use of a hydrogen-bonding breaker solvent demonstrated the hydrogen-bonded water-bridged nature of the network structure of HA single chains in aqueous NaCl solution.

  6. 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...

  7. 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.

  8. Discharge mechanisms and electrochemical impedance spectroscopy measurements of single negative and positive lead-acid battery plates

    Energy Technology Data Exchange (ETDEWEB)

    D' Alkaine, C.V. [Group of Electrochemistry and Polymers, Chemistry Department, Federal University of Sao Carlos, 13560-905 Sao Carlos, SP (Brazil); Mengarda, P.; Impinnisi, P.R. [Battery Laboratory, Institute of Technology for Development - LACTEC, Curitiba, PR (Brazil)

    2009-06-01

    This study interpreted open circuit impedance measurements of single negative and positive lead-acid battery plates, which were at different discharge levels and arranged in a four-electrode cell. This was performed in the framework of a proposed general model of charge/discharge reactions, morphological models of active materials, and based on interpretation of the characteristics of single negative and positive plates as measured by electrochemical impedance spectroscopy (EIS). This study shows that the proposed reaction models, morphological characteristics and EIS attributions are compatible with the obtained EIS data. The analysis indicates that negative and positive plate reaction mechanisms cannot be those proposed by the dissolution-precipitation mechanism alone. Rather, the reactions seem to obey the various mechanisms and morphologic ideas proposed in the present paper. It is shown that variations in the resistivity and dielectric constants of discharged films need to be studied in greater detail than film thicknesses to gain a better understanding of the processes. (author)

  9. 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.

  10. Studying σ 54-dependent transcription at the single-molecule level using alternating-laser excitation (ALEX) spectroscopy

    Science.gov (United States)

    Heilemann, M.; Lymperopoulos, K.; Wigneshweraraj, S. R.; Buck, M.; Kapanidis, A. N.

    2007-07-01

    We present single-molecule fluorescence studies of σ 54-dependent gene-transcription complexes using singlemolecule fluorescence resonance energy transfer (smFRET) and alternating-laser excitation (ALEX) spectroscopy. The ability to study one biomolecule at the time allowed us to resolve and analyze sample heterogeneities and extract structural information on subpopulations and transient intermediates of transcription; such information is hidden in bulk experiments. Using site-specifically labeled σ 54 derivatives and site-specifically labeled promoter-DNA fragments, we demonstrate that we can observe single diffusing σ 54-DNA and transcription-initiation RNA polymerase-σ 54- DNA complexes, and that we can measure distances within such complexes; the identity of the complexes has been confirmed using electrophoretic-mobility-shift assays. Our studies pave the way for understanding the mechanism of abortive initiation and promoter escape in σ 54-dependent transcription.

  11. Tunable single-longitudinal-mode operation of an injection-locked TEA CO2 laser. [ozone absorption spectroscopy

    Science.gov (United States)

    Megie, G.; Menzies, R. T.

    1979-01-01

    The tunable single-longitudinal-mode operation of a TEA CO2 laser by an injection technique using a CW waveguide laser as the master oscillator is reported. With the experimental arrangement described, in which the waveguide laser frequency is tuned to correspond to one of the oscillating longitudinal modes of the TEA laser, single-longitudinal-mode operation was achieved with no apparent reduction in the TEA output energy, on various CO2 lines with frequency offsets from the line center as large as 300 MHz. The capability of this technique for high-resolution spectroscopy or atmospheric lidar studies is demonstrated by the recording of the absorption spectrum of a strong ozone line.

  12. Chemical characterization of single micro- and nano-particles by optical catapulting–optical trapping–laser-induced breakdown spectroscopy

    International Nuclear Information System (INIS)

    Fortes, Francisco J.; Fernández-Bravo, Angel; Javier Laserna, J.

    2014-01-01

    Spectral identification of individual micro- and nano-sized particles by the sequential intervention of optical catapulting, optical trapping and laser-induced breakdown spectroscopy is presented. The three techniques are used for different purposes. Optical catapulting (OC) serves to put the particulate material under inspection in aerosol form. Optical trapping (OT) permits the isolation and manipulation of individual particles from the aerosol, which are subsequently analyzed by laser-induced breakdown spectroscopy (LIBS). Once catapulted, the dynamics of particle trapping depends both on the laser beam characteristics (power and intensity gradient) and on the particle properties (size, mass and shape). Particles are stably trapped in air at atmospheric pressure and can be conveniently manipulated for a precise positioning for LIBS analysis. The spectra acquired from the individually trapped particles permit a straightforward identification of the material inspected. Variability of LIBS signal for the inspection of Ni microspheres was 30% relative standard deviation. OC–OT–LIBS permits the separation of particles in a heterogeneous mixture and the subsequent analysis of the isolated particle of interest. In order to evaluate the sensitivity of the approach, the number of absolute photons emitted by a single trapped particle was calculated. The limit of detection (LOD) for Al 2 O 3 particles was calculated to be 200 attograms aluminium. - Highlights: • Detection of single nanoparticles by OC–OT–LIBS has been described for the first time. • An absolute mass quantity of 17 fg (single particle 100-nm sized Al 2 O 3 ) was detected. • Results confirm the extreme sensitivity of LIBS for single nanoparticle analysis. • The LOD for Al 2 O 3 particles was calculated to be 200 attograms aluminium. • A photon budget was performed in order to evaluate the sensitivity of the approach

  13. Screening for Breast Cancer Using Near-Field Infrared Spectroscopy of a Single Strand of Hair

    National Research Council Canada - National Science Library

    Erramilli, Shyamsunder

    2003-01-01

    .... In this study, we have successfully developed a new infrared method for the detection in a single strand of hair the presence of lipid deposits that were the putative cause of the observed x-ray patterns...

  14. 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...

  15. Visible micro-Raman spectroscopy of single human mammary epithelial cells exposed to x-ray radiation.

    Science.gov (United States)

    Delfino, Ines; Perna, Giuseppe; Lasalvia, Maria; Capozzi, Vito; Manti, Lorenzo; Camerlingo, Carlo; Lepore, Maria

    2015-03-01

    A micro-Raman spectroscopy investigation has been performed in vitro on single human mammary epithelial cells after irradiation by graded x-ray doses. The analysis by principal component analysis (PCA) and interval-PCA (i-PCA) methods has allowed us to point out the small differences in the Raman spectra induced by irradiation. This experimental approach has enabled us to delineate radiation-induced changes in protein, nucleic acid, lipid, and carbohydrate content. In particular, the dose dependence of PCA and i-PCA components has been analyzed. Our results have confirmed that micro-Raman spectroscopy coupled to properly chosen data analysis methods is a very sensitive technique to detect early molecular changes at the single-cell level following exposure to ionizing radiation. This would help in developing innovative approaches to monitor radiation cancer radiotherapy outcome so as to reduce the overall radiation dose and minimize damage to the surrounding healthy cells, both aspects being of great importance in the field of radiation therapy.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Spectroscopy of single Pr3+ ion in LaF3 crystal at 1.5 K.

    Science.gov (United States)

    Nakamura, Ippei; Yoshihiro, Tatsuya; Inagawa, Hironori; Fujiyoshi, Satoru; Matsushita, Michio

    2014-12-08

    Optical read-out and manipulation of the nuclear spin state of single rare-earth ions doped in a crystal enable the large-scale storage and the transport of quantum information. Here, we report the photo-luminescence excitation spectroscopy results of single Pr(3+) ions in a bulk crystal of LaF3 at 1.5 K. In a bulk sample, the signal from a single ion at the focus is often hidden under the background signal originating from numerous out-of-focus ions in the entire sample. To combine with a homemade cryogenic confocal microscope, we developed a reflecting objective that works in superfluid helium with a numerical aperture of 0.99, which increases the signal by increasing the solid angle of collection to 1.16π and reduces the background by decreasing the focal volume. The photo-luminescence excitation spectrum of single Pr(3+) was measured at a wing of the spectral line of the (3)H4 → (3)P0 transition at 627.33 THz (477.89 nm). The spectrum of individual Pr(3+) ions appears on top of the background of 60 cps as isolated peaks with intensities of 20-30 cps and full-width at half-maximum widths of approximately 3 MHz at an excitation intensity of 80 W cm(-2).

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

    DEFF Research Database (Denmark)

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

    Bacteria initiate attachment to the surfaces with the aid of different extracellular polymers. To quantitatively study how these polymers mediate bacterial adhesion and possibly their interactions, it is essential to go down to single cell level, with in mind that cell-to-cell variation should...... with a commercial cell adhesive CellTakTM. The method was applied to four different bacterial strains, and single-cell adhesion was measured on three surfaces (fresh glass, hydrophilic glass, mica). Attachment to the cantilever was stable during the 2 h of AFM force measurements, and viability was confirmed by Live...

  2. 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.

  3. 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.

  4. 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...

  5. Determination of Kinetic Parameters within a Single Nonisothermal On-Flow Experiment by Nanoliter NMR Spectroscopy

    NARCIS (Netherlands)

    Gomez, M.V.; Rodriguez, A.M.; Hoz, de la A.; Jimenez-Marquez, F.; Fratila, R.M.; Barneveld, P.A.; Velders, A.H.

    2015-01-01

    Conventional methods to determine the kinetic parameters for a certain reaction require multiple, separate isothermal experiments, resulting in time- and material-consuming processes. Here, an approach to determine the kinetic information within a single nonisothermal on-flow experiment is

  6. The online chemical analysis of single particles using aerosol beams and time of flight mass spectroscopy

    NARCIS (Netherlands)

    Kievit, O.; Weiss, M.; Verheijen, P.J.T.; Marijnissen, J.C.M.; Scarlett, B.

    This paper describes an on-line instrument, capable of measuring the size and chemical composition of single aerosol particles. Possible applications include monitoring aerosol reactors and studying atmospheric chemistry. The main conclusion is that a working prototype has been built and tested. It

  7. 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.)

  8. Single shot near edge x-ray absorption fine structure spectroscopy in the laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Mantouvalou, I., E-mail: ioanna.mantouvalou@tu-berlin.de; Witte, K.; Martyanov, W.; Jonas, A.; Grötzsch, D.; Kanngießer, B. [Institute for Optics and Atomic Physics, Technical University of Berlin, D-10623 Berlin (Germany); Streeck, C. [Physikalisch-Technische Bundesanstalt (PTB), D-10587 Berlin (Germany); Löchel, H.; Rudolph, I.; Erko, A. [Helmholtz-Zentrum Berlin, D-14109 Berlin (Germany); Stiel, H. [Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, D-12489 Berlin (Germany)

    2016-05-16

    With the help of adapted off-axis reflection zone plates, near edge X-ray absorption fine structure spectra at the C and N K-absorption edge have been recorded using a single 1.2 ns long soft X-ray pulse. The transmission experiments were performed with a laser-produced plasma source in the laboratory rendering time resolved measurements feasible independent on large scale facilities. A resolving power of E/ΔE ∼ 950 at the respective edges could be demonstrated. A comparison of single shot spectra with those collected with longer measuring time proves that all features of the used reference samples (silicon nitrate and polyimide) can be resolved in 1.2 ns. Hence, investigations of radiation sensitive biological specimen become possible due to the high efficiency of the optical elements enabling low dose experiments.

  9. 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

    2017-11-01

    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.

  10. Studying the structural dynamics of bipedal DNA motors with single-molecule fluorescence spectroscopy.

    Science.gov (United States)

    Masoud, Rula; Tsukanov, Roman; Tomov, Toma E; Plavner, Noa; Liber, Miran; Nir, Eyal

    2012-07-24

    We present a test case example of a detailed single-molecule fluorescence study of one of the most sophisticated and complex DNA devices introduced to date, a recently published autonomous bipedal DNA motor. We used the diffusion-based single-molecule Förster resonance energy transfer technique, coupled to alternating laser excitation (sm-FRET-ALEX), to monitor the motor assembly and operation. The study included verification of the formation of the correct structures, and of the correct motor operation, determination of the formation and stepping reaction yields, and identification of side products. Finally, the mechanisms of the motor assembly and operation were elucidated by measuring the reaction kinetics profile of track-walker binding and of lifting of the walker's leg upon fuel addition. The profiles revealed a fast phase, in which about half of the reaction was completed, followed by a slow phase which adds somewhat to the yield, reflecting the incomplete motor assembly and operation identified in the equilibrium experiments. Although further study is needed to fully understand the reasons for the incomplete assembly and operation, this work demonstrates that single-molecule fluorescence, based on its ability to provide detailed in situ structural dynamics information, inaccessible for traditional methods, constitutes an excellent tool for chaperoning the development of DNA-based technology.

  11. 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.

  12. Time-lapse electrical impedance spectroscopy for monitoring the cell cycle of single immobilized S. pombe cells

    Science.gov (United States)

    Zhu, Zhen; Frey, Olivier; Haandbaek, Niels; Franke, Felix; Rudolf, Fabian; Hierlemann, Andreas

    2015-11-01

    As a complement and alternative to optical methods, wide-band electrical impedance spectroscopy (EIS) enables multi-parameter, label-free and real-time detection of cellular and subcellular features. We report on a microfluidics-based system designed to reliably capture single rod-shaped Schizosaccharomyces pombe cells by applying suction through orifices in a channel wall. The system enables subsequent culturing of immobilized cells in an upright position, while dynamic changes in cell-cycle state and morphology were continuously monitored through EIS over a broad frequency range. Besides measuring cell growth, clear impedance signals for nuclear division have been obtained. The EIS system has been characterized with respect to sensitivity and detection limits. The spatial resolution in measuring cell length was 0.25 μm, which corresponds to approximately a 5-min interval of cell growth under standard conditions. The comprehensive impedance data sets were also used to determine the occurrence of nuclear division and cytokinesis. The obtained results have been validated through concurrent confocal imaging and plausibilized through comparison with finite-element modeling data. The possibility to monitor cellular and intracellular features of single S. pombe cells during the cell cycle at high spatiotemporal resolution renders the presented microfluidics-based EIS system a suitable tool for dynamic single-cell investigations.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Chemical characterization of single micro- and nano-particles by optical catapulting-optical trapping-laser-induced breakdown spectroscopy

    Science.gov (United States)

    Fortes, Francisco J.; Fernández-Bravo, Angel; Javier Laserna, J.

    2014-10-01

    Spectral identification of individual micro- and nano-sized particles by the sequential intervention of optical catapulting, optical trapping and laser-induced breakdown spectroscopy is presented. The three techniques are used for different purposes. Optical catapulting (OC) serves to put the particulate material under inspection in aerosol form. Optical trapping (OT) permits the isolation and manipulation of individual particles from the aerosol, which are subsequently analyzed by laser-induced breakdown spectroscopy (LIBS). Once catapulted, the dynamics of particle trapping depends both on the laser beam characteristics (power and intensity gradient) and on the particle properties (size, mass and shape). Particles are stably trapped in air at atmospheric pressure and can be conveniently manipulated for a precise positioning for LIBS analysis. The spectra acquired from the individually trapped particles permit a straightforward identification of the material inspected. Variability of LIBS signal for the inspection of Ni microspheres was 30% relative standard deviation. OC-OT-LIBS permits the separation of particles in a heterogeneous mixture and the subsequent analysis of the isolated particle of interest. In order to evaluate the sensitivity of the approach, the number of absolute photons emitted by a single trapped particle was calculated. The limit of detection (LOD) for Al2O3 particles was calculated to be 200 attograms aluminium.

  19. 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.

  20. 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

  1. 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)

  2. [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.

  3. 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

    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...... for jointly inverting airborne and ground-based geophysical data. Furthermore, geological and groundwater models most often refer to a regular voxel grid not correlated to the geophysical model space, and incorporating the geophysical data into the geological/hydrological modelling grids is problematic. We...

  4. 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......We report on a novel optical near-field technique to measure the local polarizability of a topographically flat sample with a spatial resolution better than 100 nm. Using an uncoated fiber probe, we implement a cross-polarization detection of the optical signal at the fiber dither frequency...

  5. Imaging and Time-Resolved Spectroscopy of Single Molecules at an Interface

    Science.gov (United States)

    Macklin, J. J.; Trautman, J. K.; Harris, T. D.; Brus, L. E.

    1996-04-01

    Far-field microscopy was used to noninvasively measure the room-temperature optical properties of single dye molecules located on a polymer-air interface. Shifts in the fluorescence spectrum, due to perturbation by the locally varying molecular environment, and the orientation of the transition dipole moment were correlated to variation in the excited-state lifetime. The lifetime dependence on spectral shift is argued to result from the frequency dependence of the spontaneous emission rate; the lifetime dependence on dipole orientation was found to be a consequence of the electromagnetic boundary conditions on the fluorescent radiation at the polymer-air interface.

  6. 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.

  7. 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...... 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...

  8. Bidirectional reflectance spectroscopy 7. The single particle phase function hockey stick relation

    Science.gov (United States)

    Hapke, Bruce

    2012-11-01

    The measured volume-average single particle angular scattering functions of a large number of types of particle of interest for planetary regoliths in the visible-near-IR wavelength region can be represented to a reasonable approximation by two-parameter, double Henyey-Greenstein functions. When the two parameters of this function are plotted against one another they are found to be inversely correlated and lie within a restricted zone shaped like a hockey stick within the parameter space. The centroid of the zone is a curve that can be represented by a simple empirical equation. The wide variety of types of particles used to construct the plot implies that this equation may represent most of the particles found in regoliths. This means that when modeling the bidirectional reflectance of a regolith it may be possible to reduce the number of parameters necessary to specify the reflectance, and also to characterize the entire single particle phase function from observations at phase angles less than 90°. Even if the hockey stick relation has a finite width, rather than being a line, it restricts the parameter space that must be searched when fitting data. The curve should also be useful for forward modeling particle phase functions.

  9. Terahertz Spectroscopy of Individual Single-Walled Carbon Nanotubes as a Probe of Luttinger Liquid Physics.

    Science.gov (United States)

    Chudow, Joel D; Santavicca, Daniel F; Prober, Daniel E

    2016-08-10

    Luttinger liquid theory predicts that collective electron excitations due to strong electron-electron interactions in a one-dimensional (1D) system will result in a modification of the collective charge-propagation velocity. By utilizing a circuit model for an individual metallic single-walled carbon nanotube as a nanotransmission line, it has been shown that the frequency-dependent terahertz impedance of a carbon nanotube can probe this expected 1D Luttinger liquid behavior. We excite terahertz standing-wave resonances on individual antenna-coupled metallic single-walled carbon nanotubes. The terahertz signal is rectified using the nanotube contact nonlinearity, allowing for a low-frequency readout of the coupled terahertz current. The charge velocity on the nanotube is determined from the terahertz spectral response. Our measurements show that a carbon nanotube can behave as a Luttinger liquid system with charge-propagation velocities that are faster than the Fermi velocity. Understanding what determines the charge velocity in low-dimensional conductors is important for the development of next generation nanodevices.

  10. Fluorescently-tagged human eIF3 for single-molecule spectroscopy.

    Science.gov (United States)

    Johnson, Alex G; Petrov, Alexey N; Fuchs, Gabriele; Majzoub, Karim; Grosely, Rosslyn; Choi, Junhong; Puglisi, Joseph D

    2018-01-25

    Human translation initiation relies on the combined activities of numerous ribosome-associated eukaryotic initiation factors (eIFs). The largest factor, eIF3, is an ∼800 kDa multiprotein complex that orchestrates a network of interactions with the small 40S ribosomal subunit, other eIFs, and mRNA, while participating in nearly every step of initiation. How these interactions take place during the time course of translation initiation remains unclear. Here, we describe a method for the expression and affinity purification of a fluorescently-tagged eIF3 from human cells. The tagged eIF3 dodecamer is structurally intact, functions in cell-based assays, and interacts with the HCV IRES mRNA and the 40S-IRES complex in vitro. By tracking the binding of single eIF3 molecules to the HCV IRES RNA with a zero-mode waveguides-based instrument, we show that eIF3 samples both wild-type IRES and an IRES that lacks the eIF3-binding region, and that the high-affinity eIF3-IRES interaction is largely determined by slow dissociation kinetics. The application of single-molecule methods to more complex systems involving eIF3 may unveil dynamics underlying mRNA selection and ribosome loading during human translation initiation. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  11. 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.

  12. Optical spectroscopy of Eu3+ ions doped in KLu(WO4)2 single crystals

    International Nuclear Information System (INIS)

    Koubaa, T.; Dammak, M.; Pujol, M.C.; Aguiló, M.; Díaz, F.

    2015-01-01

    Europium single doped potassium lutetium tungstate Eu 3+ :KLu(WO 4 ) 2 single crystals have been grown with the top seeded solution growth slow cooling method. Their absorption spectra are studied in detail for principal light polarizations, E||N p , N m and N g at room and low temperatures. The absorption oscillator strengths parameters are calculated by means of the theory of f–f transition intensities for systems with anomalously strong configuration interaction and by Judd–Ofelt theory. The Ω t (t=2, 4, 6) intensity parameters, and the {O dk , O ck , Δ d , Δ c1 and Δ c2 } (k=1, 2, 3) ASCI parameters are calculated. The radiative transition rates A R , radiative lifetimes τ R , and fluorescent branching ratios β R associated with 5 D 0 – 7 F J transitions of Eu 3+ were determined. The calculated decay times are discussed and compared with experimental values. - Highlights: • Absorption spectra of Eu:KLuW are investigated with respect to principal light polarizations. • Spectroscopic properties of Eu:KLuW are modeled within conventional Judd–Ofelt and (ASCI) theories. • 5 D 0 multiplet shows the contribution of a NR processes and an ET between the Eu 3+ ions. • It is suggested that the Eu 3+ :KLuW is a potential host material for optical applications.

  13. 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

  14. 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.

  15. A diode laser stabilization scheme for 40Ca+ single-ion spectroscopy

    Science.gov (United States)

    Rohde, F.; Almendros, M.; Schuck, C.; Huwer, J.; Hennrich, M.; Eschner, J.

    2010-06-01

    We present a scheme for stabilizing multiple lasers at wavelengths between 795 and 866 nm to the same atomic reference line. A reference laser at 852 nm is stabilized to the Cs D2 line using a Doppler-free frequency modulation technique. Through transfer cavities, four lasers are stabilized to the relevant atomic transitions in 40Ca+. The rms linewidth of a transfer-locked laser is measured to be 123 kHz over 200 ms with respect to an independent atomic reference, the Rb D1 line. This stability is confirmed by the comparison of an excitation spectrum of a single 40Ca+ ion to an eight-level Bloch equation model. The long-term stability with respect to the same reference is measured to be 130 kHz over a period of 2 h. The high degree of stability is demonstrated by the measured Allan deviation around 10-11 between 1 and 100 s.

  16. A diode laser stabilization scheme for 40Ca+ single-ion spectroscopy

    International Nuclear Information System (INIS)

    Rohde, F; Almendros, M; Schuck, C; Huwer, J; Hennrich, M; Eschner, J

    2010-01-01

    We present a scheme for stabilizing multiple lasers at wavelengths between 795 and 866 nm to the same atomic reference line. A reference laser at 852 nm is stabilized to the Cs D 2 line using a Doppler-free frequency modulation technique. Through transfer cavities, four lasers are stabilized to the relevant atomic transitions in 40 Ca + . The rms linewidth of a transfer-locked laser is measured to be 123 kHz over 200 ms with respect to an independent atomic reference, the Rb D 1 line. This stability is confirmed by the comparison of an excitation spectrum of a single 40 Ca + ion to an eight-level Bloch equation model. The long-term stability with respect to the same reference is measured to be 130 kHz over a period of 2 h. The high degree of stability is demonstrated by the measured Allan deviation around 10 -11 between 1 and 100 s.

  17. 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.

  18. Gradient-tailored excitation for single-quantum NMR spectroscopy of aqueous solutions.

    Science.gov (United States)

    Piotto, M; Saudek, V; Sklenár, V

    1992-11-01

    A novel approach to tailored selective excitation for the measurement of NMR spectra in non-deuterated aqueous solutions (WATERGATE, WATER suppression by GrAdient-Tailored Excitation) is described. The gradient echo sequence, which effectively combines one selective 180 degrees radiofrequency pulse and two field gradient pulses, achieves highly selective and effective water suppression. This technique is ideally suited for the rapid collection of multi-dimensional data since a single-scan acquisition produces a pure phase NMR spectrum with a perfectly flat baseline, at the highest possible sensitivity. Application to the fast measurement of 2D NOE data of a 2.2 mM solution of a double-stranded DNA fragment in 90% H2O at 5 degrees C is presented.

  19. 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.

  20. Planet detection and spectroscopy in visible light with a single aperture telescope and a nulling coronagraph

    Science.gov (United States)

    Shao, Michael; Serabyn, Eugene; Levine, Bruce Martin; Beichman, Charles; Liu, Duncan; Martin, Stefan; Orton, Glen; Mennesson, Bertrand; Morgan, Rhonda; Velusamy, Thangasamy; hide

    2003-01-01

    This talk describes a new concept for visible direct detection of Earth like extra solar planets using a nulling coronagraph instrument behind a 4m telescope in space. In the baseline design, a 4 beam nulling interferometer is synthesized from the telescope pupil, producing a very deep theta^4null which is then filtered by a coherent array of single mode fibers to suppress the residual scattered light. With perfect optics, the stellar leakage is less than 1e-11 of the starlight at the location of the planet. With diffraction limited telescope optics (lambda/20), suppression of the starlight to 1e-10 is possible. The concept is described along with the key advantages over more traditional approaches such as apodized aperture telescopes and Lyot type coronagraphs.

  1. 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...

  2. Double tuning a single input probe for heteronuclear NMR spectroscopy at low field

    Science.gov (United States)

    Tadanki, Sasidhar; Colon, Raul D.; Moore, Jay; Waddell, Kevin W.

    2012-10-01

    Applications of PASADENA in biomedicine are continuing to emerge due to recent demonstrations that hyperpolarized metabolic substrates and the corresponding reaction products persist sufficiently long to be detected in vivo. Biomedical applications of PASADENA typically differ from their basic science counterparts in that the polarization endowed by addition of parahydrogen is usually transferred from nascent protons to coupled storage nuclei for subsequent detection on a higher field imaging instrument. These pre-imaging preparations usually take place at low field, but commercial spectrometers capable of heteronuclear pulsed NMR at frequencies in the range of 100 kHz to 1 MHz are scarce though, in comparison to single channel consoles in that field regime. Reported here is a probe circuit that can be used in conjunction with a phase and amplitude modulation scheme we have developed called PANORAMIC (Precession And Nutation for Observing Rotations At Multiple Intervals about the Carrier), that expands a single channel console capability to double or generally multiple resonance with minimal hardware modifications. The demands of this application are geared towards uniform preparation, and since the hyperpolarized molecules are being detected externally at high field, detection sensitivity is secondary to applied field uniformity over a large reaction volume to accommodate heterogeneous chemistry of gas molecules at a liquid interface. The probe circuit was therefore configured with a large (40 mL) Helmholtz sample coil for uniformity, and double-tuned to the Larmor precession frequencies of 13C/1H (128/510 kHz) within a custom solenoidal electromagnet at a static field of 12 mT. Traditional (on-resonant) as well as PANORAMIC NMR signals with signal to noise ratios of approximately 75 have been routinely acquired with this probe and spectrometer setup from 1024 repetitions on the high frequency channel. The proton excitation pulse width was 240 μs at 6.31 W

  3. Single-neutron orbits near 78Ni: Spectroscopy of the N=49 isotope 79Zn

    Directory of Open Access Journals (Sweden)

    R. Orlandi

    2015-01-01

    Full Text Available Single-neutron states in the Z=30, N=49 isotope 79Zn have been populated using the 78Zn(d, p79Zn 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 79Zn. 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+ 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 78Ni. These data constitute an important step towards the understanding of the magicity of 78Ni and of the structure of nuclei in the region.

  4. A diode laser stabilization scheme for {sup 40}Ca{sup +} single-ion spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rohde, F; Almendros, M; Schuck, C; Huwer, J; Hennrich, M; Eschner, J, E-mail: felix.rohde@icfo.e [ICFO-Institut de Ciencies Fotoniques, Mediterranean Technology Park, E-08860 Castelldefels, Barcelona (Spain)

    2010-06-14

    We present a scheme for stabilizing multiple lasers at wavelengths between 795 and 866 nm to the same atomic reference line. A reference laser at 852 nm is stabilized to the Cs D{sub 2} line using a Doppler-free frequency modulation technique. Through transfer cavities, four lasers are stabilized to the relevant atomic transitions in {sup 40}Ca{sup +}. The rms linewidth of a transfer-locked laser is measured to be 123 kHz over 200 ms with respect to an independent atomic reference, the Rb D{sub 1} line. This stability is confirmed by the comparison of an excitation spectrum of a single {sup 40}Ca{sup +} ion to an eight-level Bloch equation model. The long-term stability with respect to the same reference is measured to be 130 kHz over a period of 2 h. The high degree of stability is demonstrated by the measured Allan deviation around 10{sup -11} between 1 and 100 s.

  5. Revealing Two-State Protein-Protein Interaction of Calmodulin by Single-Molecule Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ruchuan; Hu, Dehong; Tan, Xin; Lu, H PETER.

    2006-08-09

    We report a single-molecule fluorescence resonance energy transfer (FRET) and polarization study of conformational dynamics of calmodulin (CaM) interacting with a target peptide, C28W of 28 amino-acid oligomer. The C28W peptide represents the essential binding sequence domain of the Ca-ATPase protein interacting with CaM, which is important in cellular signaling for the regulation of energy in metabolism. However, the mechanism of the CaM-C28W recognition complex formation is still unclear. The amino-terminal (N-terminal) domain of the CaM was labeled with a fluorescein-based arsenical hairpin binder (F1AsH) that enables our unambiguously probing the CaM N-terminal target-binding domain motions at a millisecond timescale without convolution of the probe-dye random motions. By analyzing the distribution of FRET efficiency between F1AsH labeled CaM and Texas Red labeled C28W and the polarization fluctuation dynamics and distributions of the CaM N-terminal domain, we reveal slow (at sub-second time scale) binding-unbinding motions of the N-terminal domain of the CaM in CaM-C28W complexes, which is a strong evidence of a two-state binding interaction of CaM-mediated cell signaling.

  6. 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.

  7. Progressing single biomolecule force spectroscopy measurements for the screening of DNA binding agents

    Science.gov (United States)

    Zhang, Wenke; Barbagallo, Romina; Madden, Claire; Roberts, Clive J.; Woolford, Alison; Allen, Stephanie

    2005-10-01

    Recent studies have indicated that the force-extension properties of single molecules of double stranded (ds) DNA are sensitive to the presence of small molecule DNA binding agents, and also to their mode of binding. These observations raise the possibility of using this approach as a highly sensitive tool for the screening of such agents. However, particularly for studies employing the atomic force microscope (AFM), several non-trivial barriers hinder the progress of this approach to the non-specialist arena and hence also the full realization of this possibility. In this paper, we therefore address a series of key reproducibility and metrological issues associated with this type of measurement. Specifically, we present an improved immobilization method that covalently anchors one end (5' end) of a dual labelled (5'-thiol, 3'-biotin) p53 DNA molecule onto a gold substrate via gold-thiol chemistry, whilst the biotinylated 3' end is available for 'pick-up' using a streptavidin modified AFM tip. We also show that co-surface immobilization of DNA with 6-mercapto-1-hexanol (MCH) can also lead to a further increase the measured contour length. We demonstrate the impact of these improved protocols through the observation of the cooperative transition plateau in a DNA fragment of approximately 118 bp, a significantly smaller fragment than previously investigated. The results of a comparative study of the effects of a model minor groove binder (Hoechst 33258) and an intercalating drug (proflavine), alone, as a mixture and under different buffer conditions, are also presented.

  8. Thermal conductivity of freestanding single wall carbon nanotube sheet by Raman spectroscopy.

    Science.gov (United States)

    Sahoo, Satyaprakash; Chitturi, Venkateswara Rao; Agarwal, Radhe; Jiang, Jin-Wu; Katiyar, Ram S

    2014-11-26

    Thermal properties of single wall carbon nanotube sheets (SWCNT-sheets) are of significant importance in the area of thermal management, as an isolated SWCNT possesses high thermal conductivity of the value about 3000 W m(-1) K(-1). Here we report an indirect method of estimating the thermal conductivity of a nanometer thick suspended SWCNT-sheet by employing the Raman scattering technique. Tube diameter size is examined by the transmissions electron microscopy study. The Raman analysis of the radial breathing modes predicts narrow diameter size distribution with achiral (armchair) symmetry of the constituent SWCNTs. From the first order temperature coefficient of the A1g mode of the G band along with the laser power dependent frequency shifting of this mode, the thermal conductivity of the suspended SWCNT-sheet is estimated to be about ∼18.3 W m(-1) K(-1). Our theoretical study shows that the thermal conductivity of the SWCNT-sheet has contributions simultaneously from the intratube and intertube thermal transport. The intertube thermal conductivity (with contributions from the van der Waals interaction) is merely around 0.7 W m(-1) K(-1), which is three orders smaller than the intratube thermal conductivity, leading to an abrupt decrease in the thermal conductivity of the SWCNT-sheet as compared to the reported value for isolated SWCNT.

  9. 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.

  10. 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...

  11. A luminescence spectroscopy study of new Li2BaAl2F10 single crystal

    Science.gov (United States)

    Pustovarov, V. A.; Ogorodnikov, I. N.; Isaenko, L. I.; Lobanov, S. I.; Goloshumova, A. A.; Naumov, D. Yu.

    2018-02-01

    Large Li2BaAl2F10 single crystals of optical quality were grown using the vertical Bridgman method. X-ray diffraction method was used to determine the crystal structure (orthorhombic symmetry Cmc21), lattice parameters, atomic coordinates. The luminescent properties were investigated using selective photoexcitation by synchrotron radiation (E = 3.7-21 eV, T = 8 K, time integrated and time-resolved spectra) as well as upon excitation with unfiltered X-ray beam (synchrotron radiation or X-ray tube). We revealed both the broadband luminescence at E m = 4.0 eV (E ex =11.72 eV) attributed to the radiative annihilation of self-trapped excitons (STE) and the excitonic-type near-defect luminescence at E m = 3.0-3.2 eV (E ex =11.25 eV) attributed to radiative relaxation of electronic excitations in nonequivalent structural units of the crystal lattice. The fast exponential component with lifetime of 5.6 ns, a low-intensity intermediate component with a lifetime of 75-100 ns, a constant level - pedestal (sum of the micro- and millisecond decay components) were revealed in luminescence decay kinetics. The electronic structure parameters (bandgap E g = 13.0 eV, low-energy onset of the intrinsic host absorption E c = 11.2 eV), the energy threshold for the excitation of STE-luminescence (E th = 11.2 eV) are determined from spectroscopic data. Thermoluminescence (TL) has been studied (90-350 K) using spectral-integral regime. Four partially overlapping TL glow peaks were revealed, their deconvolution was done and thermal activation parameters were determined using TGCD method.

  12. Structural Architecture of Prothrombin in Solution Revealed by Single Molecule Spectroscopy.

    Science.gov (United States)

    Pozzi, Nicola; Bystranowska, Dominika; Zuo, Xiaobing; Di Cera, Enrico

    2016-08-26

    The coagulation factor prothrombin has a complex spatial organization of its modular assembly that comprises the N-terminal Gla domain, kringle-1, kringle-2, and the C-terminal protease domain connected by three intervening linkers. Here we use single molecule Förster resonance energy transfer to access the conformational landscape of prothrombin in solution and uncover structural features of functional significance that extend recent x-ray crystallographic analysis. Prothrombin exists in equilibrium between two alternative conformations, open and closed. The closed conformation predominates (70%) and features an unanticipated intramolecular collapse of Tyr(93) in kringle-1 onto Trp(547) in the protease domain that obliterates access to the active site and protects the zymogen from autoproteolytic conversion to thrombin. The open conformation (30%) is more susceptible to chymotrypsin digestion and autoactivation, and features a shape consistent with recent x-ray crystal structures. Small angle x-ray scattering measurements of prothrombin wild type stabilized 70% in the closed conformation and of the mutant Y93A stabilized 80% in the open conformation directly document two envelopes that differ 50 Å in length. These findings reveal important new details on the conformational plasticity of prothrombin in solution and the drastic structural difference between its alternative conformations. Prothrombin uses the intramolecular collapse of kringle-1 onto the active site in the closed form to prevent autoactivation. The open-closed equilibrium also defines a new structural framework for the mechanism of activation of prothrombin by prothrombinase. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  13. Single-trial classification of motor imagery differing in task complexity: a functional near-infrared spectroscopy study

    Directory of Open Access Journals (Sweden)

    Wolf Martin

    2011-06-01

    Full Text Available Abstract Background For brain computer interfaces (BCIs, which may be valuable in neurorehabilitation, brain signals derived from mental activation can be monitored by non-invasive methods, such as functional near-infrared spectroscopy (fNIRS. Single-trial classification is important for this purpose and this was the aim of the presented study. In particular, we aimed to investigate a combined approach: 1 offline single-trial classification of brain signals derived from a novel wireless fNIRS instrument; 2 to use motor imagery (MI as mental task thereby discriminating between MI signals in response to different tasks complexities, i.e. simple and complex MI tasks. Methods 12 subjects were asked to imagine either a simple finger-tapping task using their right thumb or a complex sequential finger-tapping task using all fingers of their right hand. fNIRS was recorded over secondary motor areas of the contralateral hemisphere. Using Fisher's linear discriminant analysis (FLDA and cross validation, we selected for each subject a best-performing feature combination consisting of 1 one out of three channel, 2 an analysis time interval ranging from 5-15 s after stimulation onset and 3 up to four Δ[O2Hb] signal features (Δ[O2Hb] mean signal amplitudes, variance, skewness and kurtosis. Results The results of our single-trial classification showed that using the simple combination set of channels, time intervals and up to four Δ[O2Hb] signal features comprising Δ[O2Hb] mean signal amplitudes, variance, skewness and kurtosis, it was possible to discriminate single-trials of MI tasks differing in complexity, i.e. simple versus complex tasks (inter-task paired t-test p ≤ 0.001, over secondary motor areas with an average classification accuracy of 81%. Conclusions Although the classification accuracies look promising they are nevertheless subject of considerable subject-to-subject variability. In the discussion we address each of these aspects, their

  14. 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

  15. 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)

  16. 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

  17. 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

  18. 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

  19. 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

  20. Magnetic resonance spectroscopy of the human brain

    Science.gov (United States)

    Strózik-Kotlorz, D.

    2014-01-01

    I give a brief description of the magnetic resonance spectroscopy (MRS) in the human brain examinations. MRS allows a noninvasive chemical analysis of the brain using a standard high field MR system. Nowadays, the dominant form of MR brain spectroscopy is proton spectroscopy. Two main techniques of MRS, which utilize the chemical shift of metabolites in the external magnetic field, are SVS (single voxel) and CSI (single slice). The major peaks in the spectrum of a normal brain include NAA, Cr, Cho and m-Ins, which are neuronal, energetic, membrane turnover and glial markers, respectively. In disease, two pathological metabolites can be found in the brain spectra: Lac, which is end product of anaerobic glycolysis and Lip, which is a marker of membrane breakdown, occurring in necrosis. The common way to analyze clinical spectra is to determine metabolite ratios, e.g. NAA/Cr, Cho/Cr, Cho/NAA. This analysis permits a safe and noninvasive examination of the brain tissue as each disease state has its own characteristic spectroscopic image. MRS is a valuable diagnostic tool in such clinical applications as detecting brain tumors and differentiating tumors from inflammatory and infectious processes. Proton MRS is also very helpful in diagnostic of ischemic lesions, Alzheimer's disease and hepatic encephalopathy. The MRS brain spectra should always be correlated with the Magnetic Resonance Imaging (MRI) results and alone cannot make neurological diagnosis.

  1. Energy gaps, electronic structures, and x-ray spectroscopies of finite semiconductor single-walled carbon nanotubes.

    Science.gov (United States)

    Gao, Bin; Jiang, Jun; Wu, ZiYu; Luo, Yi

    2008-02-28

    We report hybrid density functional theory calculations for electronic structures of hydrogen-terminated finite single-walled carbon nanotubes (6,5) and (8,3) up to 100 nm in length. Gap states that are mainly arisen from the hydrogen-terminated edges have been found in (8,3) tubes, but their contributions to the density of states become invisible when the tube is longer than 10 nm. The electronic structures of (6,5) and (8,3) tubes are found to be converged around 20 nm. The calculated band-gap energies of 100 nm long nanotubes are in good agreement with experimental results. The valence band structures of (6,5), (8,3), as well as (5,5) tubes are also investigated by means of ultraviolet photoelectron spectra (UPS), x-ray emission spectroscopy (XES), and the resonant inelastic x-ray scattering (RIXS) spectra theoretically. The UPS, XES and RIXS spectra become converged already at 10 nm. The length-dependent oscillation behavior is found in the RIXS spectra of (5,5) tubes, indicating that the RIXS spectra may be used to determine the size and length of metallic nanotubes. Furthermore, the chiral dependence observed in the simulated RIXS spectra suggests that RIXS spectra could be a useful technique for the determination of chirality of carbon nanotubes.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Far infrared spectroscopy of Ge film deposited on a piece of Si wafer and single crystal Ge

    International Nuclear Information System (INIS)

    Roslan, M.; Ibrahim, K.; Wan Abdullah, A.K.

    1991-01-01

    The far infrared spectrum of thin polycrystalline film of Ge of approximately 10 μm deposited on a piece of Si wafer (99.99% purity) has been obtained using the far infrared Fourier transform spectroscopy system developed recently in our laboratory. The spectrum of Ge film from 180 to 480 cm -1 obtained after rationing against Si wafer spectrum at a resolution of about 1 cm -1 has been obtained. It is interesting to note that this thin film of Ge is extremely transparent to radiation in this region and phonon absorption processes as reported previously could not be observed due to thinness of the film. The spectrum of a single crystal of Ge (99.9% purity) and Ge-doped Li have revealed several absorption bands which we have assigned as due to 2-phonon and 3-phonon processes in Ge. The bands at 195, 273 and 287 cm -1 could not be assigned as phonon processes and at present we do not know the causes of these absorption bands

  7. 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.

  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. 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.)

  10. Exploring trees in three dimensions: VoxR, a novel voxel-based R package dedicated to analysing the complex arrangement of tree crowns.

    Science.gov (United States)

    Lecigne, Bastien; Delagrange, Sylvain; Messier, Christian

    2017-09-07

    Interest in tree form assessments using the terrestrial laser scanner (TLS) has increased in recent years. Yet many existing methods are limited to small-sized trees, principally due to noise and occlusion phenomena. In this paper, a novel voxel-based program that is dedicated to the analyses of large tree structures is presented. The method is based on the assumption that architectural trait variations (i.e. branching angle, bifurcation ratio, biomass allocation, etc.) influence the way a tree explores space. This method uses the concept of space exploration that considers a voxel as a portion of space explored by the tree. Once the TLS scene is voxelized, the program provides tools that extract qualitative (geometrical) and quantitative (volumetric) metrics. These tools measure (1) voxel dispersion in three dimensions (3-D), (2) projections of the voxel cloud in 2-D and (3) multi-temporal changes within a single tree crown. To test algorithm capabilities of measuring larger tree architectural traits, two application studies were conducted using point clouds that were either generated by a tree growth simulation model, thereby allowing algorithm application in a perfectly controlled environment, or acquired in the field with a TLS device. The space exploration concept makes it possible to take advantage of the volumetric nature of voxels to compensate for occlusion. The hypothesis that large-sized voxels can be used to reduce occlusion in the original point cloud was tested, as well as the consequences of voxel size on quantification of tree volume and on precision of derived metrics. Results show that space exploration is well adapted to highlight architectural differences among trees. They also suggest that large-sized voxels are efficient for occlusion compensation at the expense of metrics precision in some cases. The best resolution to choose depending on the research objectives and quality of the TLS scan is discussed.

  11. 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.

  12. Single Particle-Inductively Coupled Plasma Mass Spectroscopy Analysis of Metallic Nanoparticles in Environmental Samples with Large Dissolved Analyte Fractions.

    Science.gov (United States)

    Schwertfeger, D M; Velicogna, Jessica R; Jesmer, Alexander H; Scroggins, Richard P; Princz, Juliska I

    2016-10-18

    There is an increasing interest to use single particle-inductively coupled plasma mass spectroscopy (SP-ICPMS) to help quantify exposure to engineered nanoparticles, and their transformation products, released into the environment. Hindering the use of this analytical technique for environmental samples is the presence of high levels of dissolved analyte which impedes resolution of the particle signal from the dissolved. While sample dilution is often necessary to achieve the low analyte concentrations necessary for SP-ICPMS analysis, and to reduce the occurrence of matrix effects on the analyte signal, it is used here to also reduce the dissolved signal relative to the particulate, while maintaining a matrix chemistry that promotes particle stability. We propose a simple, systematic dilution series approach where by the first dilution is used to quantify the dissolved analyte, the second is used to optimize the particle signal, and the third is used as an analytical quality control. Using simple suspensions of well characterized Au and Ag nanoparticles spiked with the dissolved analyte form, as well as suspensions of complex environmental media (i.e., extracts from soils previously contaminated with engineered silver nanoparticles), we show how this dilution series technique improves resolution of the particle signal which in turn improves the accuracy of particle counts, quantification of particulate mass and determination of particle size. The technique proposed here is meant to offer a systematic and reproducible approach to the SP-ICPMS analysis of environmental samples and improve the quality and consistency of data generated from this relatively new analytical tool.

  13. Comparison of single- or multifrequency bioelectrical impedance analysis and spectroscopy for assessment of appendicular skeletal muscle in the elderly.

    Science.gov (United States)

    Yamada, Yosuke; Watanabe, Yuya; Ikenaga, Masahiro; Yokoyama, Keiichi; Yoshida, Tsukasa; Morimoto, Taketoshi; Kimura, Misaka

    2013-09-01

    Bioelectrical impedance analysis (BIA) is used to assess skeletal muscle mass, although its application in the elderly has not been fully established. Several BIA modalities are available: single-frequency BIA (SFBIA), multifrequency BIA (MFBIA), and bioelectrical impedance spectroscopy (BIS). The aim of this study was to examine the difference between SFBIA, MFBIA, and BIS for assessment of appendicular skeletal muscle strength in the elderly. A total of 405 elderly (74.2 ± 5.0 yr) individuals were recruited. Grip strength and isometric knee extension strength were measured. Segmental SFBIA, MFBIA, and BIS were measured for the arms and upper legs. Bioelectrical impedance indexes were calculated by squared segment length divided by impedance (L2/Z). Impedance at 5 and 50 kHz (Z5 and Z50) was used for SFBIA. Impedance of the intracellular component was calculated from MFBIA (Z250-5) and BIS (RICW). Correlation coefficients between knee extension strength and L2/Z5, L2/Z50, L2/RICW, and L2/Z250-5 of the upper legs were 0.661, 0.705, 0.790, and 0.808, respectively (P < 0.001). Correlation coefficients were significantly greater for MFBIA and BIS than SFBIA. Receiver operating characteristic curves showed that L2/Z250-5 and L2/RICW had significantly larger areas under the curve for the diagnosis of muscle weakness compared with L2/Z5 and L2/Z50. Very similar results were observed for grip strength. Our findings suggest that MFBIA and BIS are better methods than SFBIA for assessing skeletal muscle strength in the elderly.

  14. Assessment of body composition in subjects with metabolic syndrome comparing single-frequency bioelectrical impedance analysis and bioelectrical spectroscopy.

    Science.gov (United States)

    Cloetens, Lieselotte; Johansson-Persson, Anna; Helgegren, Hannah; Landin-Olsson, Mona; Uusitupa, Matti; Åkesson, Björn; Önning, Gunilla

    2015-03-01

    The aim of this study was to investigate the agreement between body composition measurements made with two methods-single-frequency bioelectrical impedance analysis (SF-BIA) and bioelectrical impedance spectroscopy (BIS). The body composition measurements using SF-BIA and BIS were performed seven times during 6 months on 41 patients (13 men and 28 women) with metabolic syndrome who were taking part in a dietary intervention study. The mean [standard deviation (SD)] fat mass (FM) and median [interquartile range (IQR)] FM% measured with SF-BIA were 32.7 (6.7) kg and 36.3 (30.3-39.3)%, respectively, compared with 38.2 (8.7) kg and 40.9 (35.5-45.6)%, respectively, using BIS. The median (IQR) fat-free mass (FFM) was 60.0 (53.3-73.5) kg according to SF-BIA and 55.4 (48.8-66.5) kg according to BIS. These results obtained with the two methods were significantly different (P<0.001). Still highly significant correlations were found between the results obtained with SF-BIA and BIS for FM and FFM (all r≥0.89, P<0.001). Using Bland-Altman analysis, the bias was found to be -5.4 (4.1) kg for FM, -5.5 (3.7)% for FM%, and 5.4 (4.1) kg for FFM. Rather wide limits of agreement were found for FM, FM%, and FFM. Body composition data obtained using SF-BIA and BIS in subjects with metabolic syndrome were highly correlated but not interchangeable. FM was systematically lower when using SF-BIA than when using BIS.

  15. Whispering Gallery mode ESR spectroscopy and parameters measurement in single crystal SrLaAlO4at millikelvin temperature.

    Science.gov (United States)

    Hosain, M A; Le Floch, J-M; Krupka, J; Tobar, M E

    2017-08-01

    A cylindrical single crystal SrLaAlO 4 Whispering Gallery mode dielectric resonator was cooled to millikelvin temperature using a dilution refrigerator. By controlling a DC-magnetic field, impurity ions' spins were coupled to a variety of modes allowing the measurement of hybrid spin-photon systems. This Electron Spin Resonance mapping technique allowed us to detect Cu 2+ ,Fe 3+ and Mn 4+ impurity ions (at the level of parts per million (ppm) to parts per billion (ppb)), verified by the measurement of the spin parameters along with their site symmetry. Whispering Gallery modes exhibited Q-factors ⩾10 5 at a temperature less than 20mK, allowing sensitive spectroscopy with high precision. Measured hyperfine line constants of the Cu 2+ ion shows different parallel g-factors, g ‖Cu , of 2.526,2.375,2.246 and 2.142. The spin-orbit coupling constant of the Cu 2+ ion was determined to be λ≃-635cm -1 . The low-spin state Fe 3+ ion's measured parallel g-factor, g ‖Fe , of 2.028 reveals tetragonal anisotropy. The Mn 4+ ion is identified in the lattice, producing hyperfine structure with high-valued g-factors,g ‖Mn , of 7.789,7.745,7.688,7.613,7.5304 and 7.446. The hyperfine structures of the Cu 2+ and Mn 4+ ions show broadening of about 79G between 9.072GHz and 10.631GHz, and 24.5G broadening between 9.072GHz and 14.871GHz, respectively. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. 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

    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...... 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...

  17. GROWTH AND CHARACTERIZATION OF Eu DOPED GaSe SINGLE CRYSTALS BY X-RAY DIFFRACTION AND RAMAN SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    Dumitru UNTILA

    2017-08-01

    Full Text Available GaSe single crystals doped with Eu (0.025, 0.05, 0.5, 1.0 and 3.0 at% were grown by Bridgman method using Ga, Se and Eu elementary components. The crystalline structure and vibration modes of the GaSe: Eu crystals lattice were studied by X-ray diffraction and Raman spectroscopy. Eu atoms arranged in the van der Waals space of GaSe: Eu crystals form Eu-Se valence bonds and restructure hexagonal lattice of GaSe leading to EuGa2Se4 crystallites formation. Defects generated by EuGa2Se4 crystallites lead to broadening and shifting of single phonon peaks present in Raman spectra towards shorter wavenumbers, and at the same time, activate the longitudinal optical vibrations of EuSe sublattice.Keywords: GaSe, doping, Eu, XRD, Raman. CREȘTEREA ȘI CARACTERIZAREA MONOCRISTALELOR DE GaSe: Eu PRIN DIFRACȚIA RAZELOR X ȘI SPECTROSCOPIA RAMANMonocristalele de GaSe nedopate și dopate cu Eu în cantități de 0.025, 0.05, 0.5, 1.0 și 3.0% at. au fost crescute prin metoda Bridgman din componente elementare Ga, Se și Eu. Structura cristalină și modelele de vibrație a rețelei crista­lelor de GaSe:Eu au fost studiate prin difracția razelor X și spectroscopia Raman. Atomii de Eu localizați în spaţiul van der Waals al cristalelor de GaSe:Eu creează legături de valență Eu-Se și restructurează rețeaua hexagonală a compusului GaSe, conducând la formarea cristalitelor de EuGa2Se4. Defectele generate de cristalitele de EuGa2Se4 duc la lărgirea și deplasarea benzilor monofononice de difuzie Raman spre numere de undă mici și, totodată, activează vibraţiile optice longitudinale ale subreţelei EuSe.Cuvinte-cheie: GaSe, dopare, Eu, XRD, Raman.

  18. Transport in Weakly Coupled Vertical Double Quantum Dots: Single-Particle Energy Level Spectroscopy and Hyperfine Interaction Effects

    Science.gov (United States)

    Payette, Christopher

    2011-12-01

    Performing transport measurements on weakly coupled vertical double quantum dots, we study by magneto-resonant-tunneling spectroscopy, single-particle energy spectra of the constituent dots over a wide energy window. The measured energy spectra are well modeled overall by ideal spectra calculated for elliptical and parabolic in-dot-plane confinement potentials. However, in regions where single-particle energy levels are naively expected to cross, we observe pronounced level anti-crossing behaviour and strong resonant current variations (both enhancement and suppression). Within a coherent tunneling picture, these effects can be attributed to coherent level mixing induced by weak perturbations in the nearly ideal dot confinement potentials. We analyze the energy spectra in detail, and focus on examples of two-, three- and four-level crossings where we observe the suppression of an otherwise strong current resonance, a signature of dark state formation due to destructive interference. The mixing we measure and model at two three-level crossings represents an all-electrical analogue of coherent population trapping. We also explore the limitations of the applicability of the coherent level mixing model and demonstrate in-situ alteration of the coupling between levels. We further examine the electron spin-nuclear spin (hyperfine) interaction. In the familiar two-electron spin blockade regime, on application of an out-of-dot-plane magnetic field, we observe current switching and hysteresis, and a funnel-like structure in the leakage current, all hallmarks of the hyperfine interaction. The measurements bring to light a strong gate voltage dependence, significant device-to-device variations, and an intricate bias voltage history dependence not accounted for in any existing model. Unexpectedly, we also observe signatures of the hyperfine interaction at high bias, well outside the spin blockade regime. We characterize these features and suggest how the hyperfine interaction

  19. Two-color spectroscopy of UV excited ssDNA complex with a single-wall nanotube probe: Fast nucleobase autoionization mechanism

    OpenAIRE

    Ignatova, Tetyana; Balaeff, Alexander; Zheng, Ming; Blades, Michael; Stoeckl, Peter; Rotkin, Slava V.

    2015-01-01

    DNA autoionization is a fundamental process wherein UV-photoexcited nucleobases dissipate energy by charge transfer to the environment without undergoing chemical damage. Here, single-wall carbon nanotubes (SWNT) are explored as a photoluminescent reporter for studying the mechanism and rates of DNA autoionization. Two-color photoluminescence spectroscopy allows separate photoexcitation of the DNA and the SWNTs in the UV and visible range, respectively. A strong SWNT photoluminescence quenchi...

  20. 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

  1. Single-walled carbon nanotube purification, pelletization, and surfactant-assisted dispersion: a combined TEM and resonant micro-raman spectroscopy study.

    Science.gov (United States)

    Shen, Kai; Curran, Seamus; Xu, Huifang; Rogelj, Snezna; Jiang, Yingbing; Dewald, James; Pietrass, Tanja

    2005-03-17

    Resonant Raman spectroscopy and transmission electron microscopy were used to characterize the structural changes of three single-walled carbon nanotube samples processed with purification, pelletization, and surfactant-assisted dispersion. A two-stage purification process selectively removes metallic tubes as well as small-diameter ones, enriching large-diameter semiconducting tubes. Pelletizing reduces the intertube distance but greatly increases the intensity ratio of the D band to the G band. Single-walled nanotube (SWNT) bundle size decreases during ultrasonication dispersion aided by a surfactant. SWNT bundles composed of large-diameter tubes are prone to debundling.

  2. 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

  3. 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.

  4. Voxel-based frog phantom for internal dose evaluation

    International Nuclear Information System (INIS)

    Kinase, Sakae

    2008-01-01

    A voxel-based frog phantom has been developed for radiation protection of the environment. The voxel-based frog phantom was applied to evaluating self-absorbed fractions (self-AFs), which are defined as the fraction of energy emitted by a radiation source that is absorbed within the source organ. The self-AFs were evaluated for both photons and electrons in the spleen, kidneys, and liver using Monte Carlo simulations. Furthermore, self-S values (μGy/MBq·s) for 18 F and 90 Y in the organs were calculated using the results of the self-AFs. Consequently, the voxel-based frog phantom was found to be useful for the organ dose evaluations, which have not been proposed by the International Commission on Radiological Protection (ICRP). It was also confirmed that the self-AFs and self-S values are largely dependent on the mass of the source organ. (author)

  5. 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)

  6. Selection of voxel size and photon number in voxel-based Monte Carlo method: criteria and applications

    Science.gov (United States)

    Li, Dong; Chen, Bin; Ran, Wei Yu; Wang, Guo Xiang; Wu, Wen Juan

    2015-09-01

    The voxel-based Monte Carlo method (VMC) is now a gold standard in the simulation of light propagation in turbid media. For complex tissue structures, however, the computational cost will be higher when small voxels are used to improve smoothness of tissue interface and a large number of photons are used to obtain accurate results. To reduce computational cost, criteria were proposed to determine the voxel size and photon number in 3-dimensional VMC simulations with acceptable accuracy and computation time. The selection of the voxel size can be expressed as a function of tissue geometry and optical properties. The photon number should be at least 5 times the total voxel number. These criteria are further applied in developing a photon ray splitting scheme of local grid refinement technique to reduce computational cost of a nonuniform tissue structure with significantly varying optical properties. In the proposed technique, a nonuniform refined grid system is used, where fine grids are used for the tissue with high absorption and complex geometry, and coarse grids are used for the other part. In this technique, the total photon number is selected based on the voxel size of the coarse grid. Furthermore, the photon-splitting scheme is developed to satisfy the statistical accuracy requirement for the dense grid area. Result shows that local grid refinement technique photon ray splitting scheme can accelerate the computation by 7.6 times (reduce time consumption from 17.5 to 2.3 h) in the simulation of laser light energy deposition in skin tissue that contains port wine stain lesions.

  7. Single-catalyst particle spectroscopy of alcohol-to-olefins conversions : Comparison between SAPO-34 and SSZ-13

    NARCIS (Netherlands)

    Qian, Qingyun; Ruiz-Martinez, Javier; Mokhtar, Mohamed; Asiri, Abdullah M.; Al-Thabaiti, Shaeel A.; Basahel, Suliman N.; Weckhuysen, Bert M.

    2014-01-01

    The formation of distinct hydrocarbon pool (HCP) species on individual micron-sized SAPO-34 and SSZ-13 crystals have been compared during methanol-to-olefins (MTO) and ethanol-to-olefins (ETO) conversion processes. In situ UV-vis micro-spectroscopy reveals the formation of 400 nm and 580 nm

  8. 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

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    -distribution and significance is determined using the false discovery rate (FDR). Segmentations are based on significantly connected voxels and their FDR. In this work we focus on the thalamus and the target regions were chosen by dividing the cortex into a prefrontal/temporal zone, motor zone, somatosensory zone and a parieto...

  10. Motion-Compensated Compression of Dynamic Voxelized Point Clouds.

    Science.gov (United States)

    De Queiroz, Ricardo L; Chou, Philip A

    2017-05-24

    Dynamic point clouds are a potential new frontier in visual communication systems. A few articles have addressed the compression of point clouds, but very few references exist on exploring temporal redundancies. This paper presents a novel motion-compensated approach to encoding dynamic voxelized point clouds at low bit rates. A simple coder breaks the voxelized point cloud at each frame into blocks of voxels. Each block is either encoded in intra-frame mode or is replaced by a motion-compensated version of a block in the previous frame. The decision is optimized in a rate-distortion sense. In this way, both the geometry and the color are encoded with distortion, allowing for reduced bit-rates. In-loop filtering is employed to minimize compression artifacts caused by distortion in the geometry information. Simulations reveal that this simple motion compensated coder can efficiently extend the compression range of dynamic voxelized point clouds to rates below what intra-frame coding alone can accommodate, trading rate for geometry accuracy.

  11. Postured voxel-based human models for electromagnetic dosimetry

    Science.gov (United States)

    Nagaoka, Tomoaki; Watanabe, Soichi

    2008-12-01

    High-resolution anatomically realistic whole-body voxel models have recently been developed for electromagnetic dosimetry. However, the posture of most models is similar to the standing one, which strongly limits electromagnetic dosimetry when simulating a realistic exposure scenario. In this paper, we present the development of postured models based on anatomically realistic voxel models with standing posture. Voxel models of the Japanese adult male and female were used as the original upright standing models. The Japanese models were composed of 2 mm cubic voxels, each of which was segmented into 51 different tissue types. We developed several different types of posture models using a novel posture transformation method. These posture models were smoothly transformed, while the continuity of the internal tissues and organs was maintained. In this paper, we also present our calculations of the whole-body averaged specific absorption rates (SARs) of sitting male and female models exposed to electromagnetic plane waves at very high (VHF) and ultra high frequency (UHF) bands.

  12. 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...

  13. 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...

  14. 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.

  15. 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)

  16. 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.

  17. 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.

  18. 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.

  19. Use of Single-Frequency Impedance Spectroscopy to Characterize the Growth Dynamics of Biofilm Formation in Pseudomonas aeruginosa.

    OpenAIRE

    van Duuren, Jozef B J H; Müsken, Mathias; Karge, Bianka; Tomasch, Jürgen; Wittmann, Christoph; Häussler, Susanne; Brönstrup, Mark

    2017-01-01

    Impedance spectroscopy has been applied in prokaryotic and eukaryotic cytometry as a label-free method for the investigation of adherent cells. In this paper, its use for characterizing the growth dynamics of P. aeruginosa biofilms is described and compared to crystal violet staining and confocal microscopy. The method allows monitoring the growth of biofilm-forming P. aeruginosa in a continuous and label-free manner over a period of 72?h in a 96 well plate format. Impedance curves obtained f...

  20. Probing single-charge fluctuations at a GaAs/AlAs interface using laser spectroscopy on a nearby InGaAs quantum dot.

    Science.gov (United States)

    Houel, J; Kuhlmann, A V; Greuter, L; Xue, F; Poggio, M; Gerardot, B D; Dalgarno, P A; Badolato, A; Petroff, P M; Ludwig, A; Reuter, D; Wieck, A D; Warburton, R J

    2012-03-09

    We probe local charge fluctuations in a semiconductor via laser spectroscopy on a nearby self-assembled quantum dot. We demonstrate that the quantum dot is sensitive to changes in the local environment at the single-charge level. By controlling the charge state of localized defects, we are able to infer the distance of the defects from the quantum dot with ±5  nm resolution. The results identify and quantify the main source of charge noise in the commonly used optical field-effect devices.

  1. Emission characterization of a single CdSe-ZnS nanocrystal with high temporal and spectral resolution by photon-correlation Fourier spectroscopy.

    Science.gov (United States)

    Coolen, L; Brokmann, X; Spinicelli, P; Hermier, J-P

    2008-01-18

    We report a spectroscopic study of single colloidal CdSe/ZnS nanocrystals at low temperature. We use photon-correlation Fourier spectroscopy, a technique based on measuring the correlations of the intensities detected at the outputs of a Michelson interferometer. Spectral diffusion over a few microeV is evidenced, on a typical time scale of 200 micros. A time resolution as high as 20 micros is obtained, and an upper limit of 6.5 microeV emission linewidth is measured, corresponding to a coherence time of at least 200 ps, similar to the values for epitaxial quantum dots.

  2. High field electron paramagnetic resonance spectroscopy under ultrahigh vacuum conditions—A multipurpose machine to study paramagnetic species on well defined single crystal surfaces

    Science.gov (United States)

    Rocker, J.; Cornu, D.; Kieseritzky, E.; Seiler, A.; Bondarchuk, O.; Hänsel-Ziegler, W.; Risse, T.; Freund, H.-J.

    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

  3. Note: Multi-confocal fluorescence correlation spectroscopy in living cells using a complementary metal oxide semiconductor-single photon avalanche diode array

    Science.gov (United States)

    Kloster-Landsberg, M.; Tyndall, D.; Wang, I.; Walker, R.; Richardson, J.; Henderson, R.; Delon, A.

    2013-07-01

    Living cells are heterogeneous and rapidly changing biological samples. It is thus desirable to measure molecular concentration and dynamics in many locations at the same time. In this note, we present a multi-confocal setup capable of performing simultaneous fluorescence correlation spectroscopy measurements, by focusing the spots with a spatial light modulator and acquiring data with a monolithic 32 × 32 single-photon avalanche photodiode array. A post-processing method is proposed to correct cross-talk effects between neighboring spots. We demonstrate the applicability of our system by simultaneously measuring the diffusion of free enhanced Green Fluorescent Protein (eGFP) molecules at nine different points in living cells.

  4. 500 nm Continuous Wave Tunable SingleFrequency MidIR Light Source for C–H Spectroscopy

    DEFF Research Database (Denmark)

    Høgstedt, Lasse; Jensen, Ole Bjarlin; Dam, Jeppe Seidelin

    2012-01-01

    A computer controlled tunable mid-IR light source, based on single resonant difference frequency generation (DFG), is experimentally investigated. The DFG process is pumped by an external cavity tapered diode laser, tunable over a spectral range of 30 nm. Grating feedback to the single mode channel...

  5. 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.

  6. 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.

  7. 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.

  8. 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)

  9. 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)

  10. [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.

  11. Investigation of mindfulness meditation practitioners with voxel-based morphometry

    OpenAIRE

    Hölzel, Britta K.; Ott, Ulrich; Gard, Tim; Hempel, Hannes; Weygandt, Martin; Morgen, Katrin; Vaitl, Dieter

    2008-01-01

    Mindfulness meditators practice the non-judgmental observation of the ongoing stream of internal experiences as they arise. Using voxel-based morphometry, this study investigated MRI brain images of 20 mindfulness (Vipassana) meditators (mean practice 8.6 years; 2 h daily) and compared the regional gray matter concentration to that of non-meditators matched for sex, age, education and handedness. Meditators were predicted to show greater gray matter concentration in regions that are typically...

  12. Fast construction of voxel-level functional connectivity graphs.

    Science.gov (United States)

    Loewe, Kristian; Grueschow, Marcus; Stoppel, Christian M; Kruse, Rudolf; Borgelt, Christian

    2014-06-19

    Graph-based analysis of fMRI data has recently emerged as a promising approach to study brain networks. Based on the assessment of synchronous fMRI activity at separate brain sites, functional connectivity graphs are constructed and analyzed using graph-theoretical concepts. Most previous studies investigated region-level graphs, which are computationally inexpensive, but bring along the problem of choosing sensible regions and involve blurring of more detailed information. In contrast, voxel-level graphs provide the finest granularity attainable from the data, enabling analyses at superior spatial resolution. They are, however, associated with considerable computational demands, which can render high-resolution analyses infeasible. In response, many existing studies investigating functional connectivity at the voxel-level reduced the computational burden by sacrificing spatial resolution. Here, a novel, time-efficient method for graph construction is presented that retains the original spatial resolution. Performance gains are instead achieved through data reduction in the temporal domain based on dichotomization of voxel time series combined with tetrachoric correlation estimation and efficient implementation. By comparison with graph construction based on Pearson's r, the technique used by the majority of previous studies, we find that the novel approach produces highly similar results an order of magnitude faster. Its demonstrated performance makes the proposed approach a sensible and efficient alternative to customary practice. An open source software package containing the created programs is freely available for download.

  13. 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.)

  14. GPU accelerated voxel-driven forward projection for iterative reconstruction of cone-beam CT.

    Science.gov (United States)

    Du, Yi; Yu, Gongyi; Xiang, Xincheng; Wang, Xiangang

    2017-01-05

    For cone-beam computed tomography (CBCT), which has been playing an important role in clinical applications, iterative reconstruction algorithms are able to provide advantageous image qualities over the classical FDK. However, the computational speed of iterative reconstruction is a notable issue for CBCT, of which the forward projection calculation is one of the most time-consuming components. In this study, the cone-beam forward projection problem using the voxel-driven model is analysed, and a GPU-based acceleration method for CBCT forward projection is proposed with the method rationale and implementation workflow detailed as well. For method validation and evaluation, computational simulations are performed, and the calculation times of different methods are collected. Compared with the benchmark CPU processing time, the proposed method performs effectively in handling the inter-thread interference problem, and an acceleration ratio as high as more than 100 is achieved compared to a single-threaded CPU implementation. The voxel-driven forward projection calculation for CBCT is highly paralleled by the proposed method, and we believe it will serve as a critical module to develop iterative reconstruction and correction methods for CBCT imaging.

  15. 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.

  16. 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

  17. 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

  18. 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

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. Inactivation of Spores of Bacillus Species by Wet Heat: Studies on Single Spores Using Laser Tweezers Taman Spectroscopy

    Science.gov (United States)

    2013-02-01

    13/2011 22.00 Keren K. Griffiths, Jingqiao Zhang, Ann E. Cowan, Ji Yu, Peter Setlow. Germination proteins in the inner membrane of dormant Bacillus...that this technique can be used to rapidly identify single airborne particles or bacteria collected on a slide and to monitor germination dynamics of...the environment of dipicolinic acid in the core of superdormant spores is different from that in dormant spores [J. Bacteriol., 191, 5584 (2009

  4. Manifold Learning in MR spectroscopy using nonlinear dimensionality reduction and unsupervised clustering.

    Science.gov (United States)

    Yang, Guang; Raschke, Felix; Barrick, Thomas R; Howe, Franklyn A

    2015-09-01

    To investigate whether nonlinear dimensionality reduction improves unsupervised classification of (1) H MRS brain tumor data compared with a linear method. In vivo single-voxel (1) H magnetic resonance spectroscopy (55 patients) and (1) H magnetic resonance spectroscopy imaging (MRSI) (29 patients) data were acquired from histopathologically diagnosed gliomas. Data reduction using Laplacian eigenmaps (LE) or independent component analysis (ICA) was followed by k-means clustering or agglomerative hierarchical clustering (AHC) for unsupervised learning to assess tumor grade and for tissue type segmentation of MRSI data. An accuracy of 93% in classification of glioma grade II and grade IV, with 100% accuracy in distinguishing tumor and normal spectra, was obtained by LE with unsupervised clustering, but not with the combination of k-means and ICA. With (1) H MRSI data, LE provided a more linear distribution of data for cluster analysis and better cluster stability than ICA. LE combined with k-means or AHC provided 91% accuracy for classifying tumor grade and 100% accuracy for identifying normal tissue voxels. Color-coded visualization of normal brain, tumor core, and infiltration regions was achieved with LE combined with AHC. The LE method is promising for unsupervised clustering to separate brain and tumor tissue with automated color-coding for visualization of (1) H MRSI data after cluster analysis. © 2014 Wiley Periodicals, Inc.

  5. Functional analysis of bispecific antibody (EpCAMxCD3)-mediated T-lymphocyte and cancer cell interaction by single-cell force spectroscopy.

    Science.gov (United States)

    Hoffmann, Sabrina C; Wabnitz, Guido H; Samstag, Yvonne; Moldenhauer, Gerhard; Ludwig, Thomas

    2011-05-01

    The atomic force microscopy (AFM) is a powerful tool to analyze forces generated on cellular interactions on the single-cell level. This highly sensitive device can record changes in force in the pico-Newton range, which equals single molecule bonds. Here, we have used single-cell force spectroscopy by AFM to investigate the interaction between T cells and tumor cells that is induced by the bispecific antibody HEA125xOKT3 (specificity anti-EpCAMxCD3). We show that HEA125xOKT3 induces a specific increase in adhesion force between T cells and cancer cells. The adhesive force that is generated on cell-cell contact is dependent on the applied force on initial contact and the duration of this initial contact. In summary, HEA125xOKT3 has been found to mediate contact formation by distinct processes. It induces direct cell-cell interaction, which results in the activation of T-cell signaling, facilitates the formation of supramolecular activation clusters and ultimately of an immune synapse. Copyright © 2010 UICC.

  6. A study of the diffusion dynamics and concentration distribution of gold nanospheres (GNSs) without fluorescent labeling inside live cells using fluorescence single particle spectroscopy.

    Science.gov (United States)

    Liu, Fangchao; Dong, Chaoqing; Ren, Jicun

    2018-03-15

    Colloidal gold nanospheres (GNSs) have become important nanomaterials in biomedical applications due to their special optical properties, good chemical stability, and biocompatibility. However, measuring the diffusion coefficients or concentration distribution of GNSs within live cells accurately without any extra fluorescent labeling in situ has still not been resolved. In this work, a single particle method is developed to study the concentration distribution of folic acid-modified GNSs (FA-GNSs) internalized via folate receptors, and investigates their diffusion dynamics within live cells using single particle fluorescence correlation spectroscopy (FCS). We optimized the experimental conditions and verified the feasibility of 30 nm GNSs without extra fluorescence labeling being used for single particle detection inside live cells. Then, the FCS characterization strategy was used to measure the concentration and diffusion coefficient distributions of GNSs inside live cells and the obtained results were basically in agreement with those obtained by TEM. The results demonstrate that our strategy is characterized as an in situ, nondestructive, rapid and dynamic method for the assay of live cells, and it may be widely used in the further design of GNP-based drug delivery and therapeutics.

  7. Neutral and Charged Exciton Fine Structure in Single Lead Halide Perovskite Nanocrystals Revealed by Magneto-optical Spectroscopy.

    Science.gov (United States)

    Fu, Ming; Tamarat, Philippe; Huang, He; Even, Jacky; Rogach, Andrey L; Lounis, Brahim

    2017-05-10

    Revealing the crystal structure of lead halide perovskite nanocrystals is essential for the optimization of stability of these emerging materials in applications such as solar cells, photodetectors, and light-emitting devices. We use magneto-photoluminescence spectroscopy of individual perovskite CsPbBr 3 nanocrystals as a unique tool to determine their crystal structure, which imprints distinct signatures in the excitonic sublevels of charge complexes at low temperatures. At zero magnetic field, the identification of two classes of photoluminescence spectra, displaying either two or three sublevels in their exciton fine structure, shows evidence for the existence of two crystalline structures, namely tetragonal D 4h and orthorhombic D 2h phases. Magnetic field shifts, splitting, and coupling of the sublevels provide a determination of the diamagnetic coefficient and valuable information on the exciton g-factor and its anisotropic character. Moreover, this spectroscopic study reveals the optical properties of charged excitons and allows the extraction of the electron and hole g-factors for perovskite systems.

  8. 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.

  9. Radiation-Induced Glycogen Accumulation Detected by Single Cell Raman Spectroscopy Is Associated with Radioresistance that Can Be Reversed by Metformin.

    Directory of Open Access Journals (Sweden)

    Quinn Matthews

    Full Text Available Altered cellular metabolism is a hallmark of tumor cells and contributes to a host of properties associated with resistance to radiotherapy. Detection of radiation-induced biochemical changes can reveal unique metabolic pathways affecting radiosensitivity that may serve as attractive therapeutic targets. Using clinically relevant doses of radiation, we performed label-free single cell Raman spectroscopy on a series of human cancer cell lines and detected radiation-induced accumulation of intracellular glycogen. The increase in glycogen post-irradiation was highest in lung (H460 and breast (MCF7 tumor cells compared to prostate (LNCaP tumor cells. In response to radiation, the appearance of this glycogen signature correlated with radiation resistance. Moreover, the buildup of glycogen was linked to the phosphorylation of GSK-3β, a canonical modulator of cell survival following radiation exposure and a key regulator of glycogen metabolism. When MCF7 cells were irradiated in the presence of the anti-diabetic drug metformin, there was a significant decrease in the amount of radiation-induced glycogen. The suppression of glycogen by metformin following radiation was associated with increased radiosensitivity. In contrast to MCF7 cells, metformin had minimal effects on both the level of glycogen in H460 cells following radiation and radiosensitivity. Our data demonstrate a novel approach of spectral monitoring by Raman spectroscopy to assess changes in the levels of intracellular glycogen as a potential marker and resistance mechanism to radiation therapy.

  10. Radiation-Induced Glycogen Accumulation Detected by Single Cell Raman Spectroscopy Is Associated with Radioresistance that Can Be Reversed by Metformin.

    Science.gov (United States)

    Matthews, Quinn; Isabelle, Martin; Harder, Samantha J; Smazynski, Julian; Beckham, Wayne; Brolo, Alexandre G; Jirasek, Andrew; Lum, Julian J

    2015-01-01

    Altered cellular metabolism is a hallmark of tumor cells and contributes to a host of properties associated with resistance to radiotherapy. Detection of radiation-induced biochemical changes can reveal unique metabolic pathways affecting radiosensitivity that may serve as attractive therapeutic targets. Using clinically relevant doses of radiation, we performed label-free single cell Raman spectroscopy on a series of human cancer cell lines and detected radiation-induced accumulation of intracellular glycogen. The increase in glycogen post-irradiation was highest in lung (H460) and breast (MCF7) tumor cells compared to prostate (LNCaP) tumor cells. In response to radiation, the appearance of this glycogen signature correlated with radiation resistance. Moreover, the buildup of glycogen was linked to the phosphorylation of GSK-3β, a canonical modulator of cell survival following radiation exposure and a key regulator of glycogen metabolism. When MCF7 cells were irradiated in the presence of the anti-diabetic drug metformin, there was a significant decrease in the amount of radiation-induced glycogen. The suppression of glycogen by metformin following radiation was associated with increased radiosensitivity. In contrast to MCF7 cells, metformin had minimal effects on both the level of glycogen in H460 cells following radiation and radiosensitivity. Our data demonstrate a novel approach of spectral monitoring by Raman spectroscopy to assess changes in the levels of intracellular glycogen as a potential marker and resistance mechanism to radiation therapy.

  11. 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.).

  12. 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.)

  13. 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.

  14. 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.)

  15. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    Energy Technology Data Exchange (ETDEWEB)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Kosugi, Nobuhiro, E-mail: kosugi@ims.ac.j [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)

    2011-01-15

    Surface-site resolved Kr 3d{sub 5/2}{sup -1}5p and 3d{sub 5/2}{sup -1}6p and Xe 4d{sub 5/2}{sup -1}6p and 4d{sub 5/2}{sup -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{sup -2}5p, 4s{sup -2}6p, and 4s{sup -1}4p{sup -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.

  16. CdTe Timepix detectors for single-photon spectroscopy and linear polarimetry of high-flux hard x-ray radiation

    Energy Technology Data Exchange (ETDEWEB)

    Hahn, C., E-mail: christoph.hahn@uni-jena.de; Höfer, S.; Kämpfer, T. [Helmholtz Institute Jena, 07743 Jena (Germany); Institute of Optics and Quantum Electronics, University of Jena, 07743 Jena (Germany); Weber, G.; Märtin, R. [Helmholtz Institute Jena, 07743 Jena (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Stöhlker, Th. [Helmholtz Institute Jena, 07743 Jena (Germany); Institute of Optics and Quantum Electronics, University of Jena, 07743 Jena (Germany); GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany)

    2016-04-15

    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.

  17. Development of Compton X-ray spectrometer for high energy resolution single-shot high-flux hard X-ray spectroscopy.

    Science.gov (United States)

    Kojima, Sadaoki; Ikenouchi, Takahito; Arikawa, Yasunobu; Sakata, Shohei; Zhang, Zhe; Abe, Yuki; Nakai, Mitsuo; Nishimura, Hiroaki; Shiraga, Hiroyuki; Ozaki, Tetsuo; Miyamoto, Shuji; Yamaguchi, Masashi; Takemoto, Akinori; Fujioka, Shinsuke; Azechi, Hiroshi

    2016-04-01

    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(13) photons/shot) hard X-rays. However, high energy resolution (Δhv/hv 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 SiO2 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.

  18. 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.

  19. Clathrin coat disassembly by the yeast Hsc70/Ssa1p and auxilin/Swa2p proteins observed by single-particle burst analysis spectroscopy.

    Science.gov (United States)

    Krantz, Kelly C; Puchalla, Jason; Thapa, Rajan; Kobayashi, Callie; Bisher, Margaret; Viehweg, Julie; Carr, Chavela M; Rye, Hays S

    2013-09-13

    The role of clathrin-coated vesicles in receptor-mediated endocytosis is conserved among eukaryotes, and many of the proteins required for clathrin coat assembly and disassembly have orthologs in yeast and mammals. In yeast, dozens of proteins have been identified as regulators of the multistep reaction required for endocytosis, including those that regulate disassembly of the clathrin coat. In mammalian systems, clathrin coat disassembly has been reconstituted using neuronal clathrin baskets mixed with the purified chaperone ATPase 70-kDa heat shock cognate (Hsc70), plus a clathrin-specific co-chaperone, such as the synaptic protein auxilin. Yet, despite previous characterization of the yeast Hsc70 ortholog, Ssa1p, and the auxilin-like ortholog, Swa2p, testing mechanistic models for disassembly of nonneuronal clathrin coats has been limited by the absence of a functional reconstitution assay. Here we use single-particle burst analysis spectroscopy, in combination with fluorescence correlation spectroscopy, to follow the population dynamics of fluorescently tagged yeast clathrin baskets in the presence of purified Ssa1p and Swa2p. An advantage of this combined approach for mechanistic studies is the ability to measure, as a function of time, changes in the number and size of objects from a starting population to the reaction products. Our results indicate that Ssa1p and Swa2p cooperatively disassemble yeast clathrin baskets into fragments larger than the individual triskelia, suggesting that disassembly of clathrin-coated vesicles may proceed through a partially uncoated intermediate.

  20. 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.)

  1. 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.)

  2. 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.)

  3. 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.

  4. 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

    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......). 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...

  5. Assignment of glial brain tumors in humans by in vivo 1H-magnetic resonance spectroscopy and multidimensional metabolic classification.

    Science.gov (United States)

    Roser, W; Hagberg, G; Mader, I; Dellas, S; Seelig, J; Radue, E W; Steinbrich, W

    1997-09-01

    This study presents a simple approach for the noninvasive assignment of glial brain tumors according to malignancy by single-voxel proton magnetic resonance spectroscopy at short echo times (TE Based on peak area ratios, a five-dimensional data set was obtained for each investigated subject. This vector was then projected along metabolic coordinates in a two-dimensional metabolic space. These coordinates had been determined in a previous study (Hagberg G et al., 1995, Magn Reson Med 34: 242-252). Tumor assignment was done without any knowledge of histology by comparing the location of the new cases to the features of the previous study. All 11 investigated glioblastomas multiforme, as well as 4 of 5 astrocytomas grade II, could easily be assigned to the groups of high- and low-grade tumors, respectively. Classification was more difficult in the case of a cystic astrocytoma grade II and one astrocytoma grade III. Two spectra measured in normal-appearing matter of glioblastoma patients were not classified as healthy. Using single-voxel proton magnetic resonance spectroscopy at short echo times with the knowledge of a base study, a straightforward, fast, and noninvasive differential diagnosis of glial brain tumors is possible.

  6. 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 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...... indicating that protein metabolism is influenced by multiple drought events, the H-1 NMR spectra of the methanol extracts of flour from mature grains revealed that the amount of fumaric acid is particularly sensitive to water deficits....

  7. 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

  8. Zero kinetic energy photoelectron spectroscopy of tryptamine and the dissociation pathway of the singly hydrated cation cluster

    Science.gov (United States)

    Gu, Quanli; Knee, J. L.

    2012-09-01

    The relative ionization energies of tryptamine conformations are determined by zero kinetic energy photoelectron spectroscopy and photoionization efficiency measurements. The relative cationic conformational stabilities are compared to the published results for the neutral molecule. In the cation, the interaction strength changes significantly between amino group and either the phenyl or the pyrrole moiety of the indole chromophore where most of the positive charge is located, leading to different conformational structures and relative conformer energies in the cation. In particular, the measured adiabatic ionization potential of isomer B is 60 928 ± 5 cm-1, at least 400 cm-1 higher than any of the 6 other tryptamine isomers which all have ionization potentials within 200 cm-1 of each other. In addition to the monomer, measurements were made on the A conformer of the tryptamine+-H2O complex including the ionization threshold and cation dissociation energy measured using a threshold photoionization fragmentation method. The water cluster exhibits an unexpectedly high ionization potential of 60 307 ± 100 cm-1, close to the conformer A monomer of 60 320 ± 100 cm-1. It also exhibits surprisingly low dissociation energy of 1750 ± 150 cm-1 compared to other H-bonding involved cation-H2O complexes which are typically several thousands of wavenumbers higher. Quantum chemical calculations indicate that upon ionization the structure of the parent molecule in the water complex remains mostly unchanged due to the rigid intermolecular double hydrogen bonded water molecule bridging the monomer backbone and its side chain thus leading to the high ionization potential in the water cluster. The surprisingly low dissociation energy measured in the cationic water complex is attributed to the formation of a much more stable structural isomer H+ in the exit channel.

  9. 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.

  10. 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.

  11. Growth and spectroscopy studies of ADP single crystals with L-proline and L-arginine amino acids

    Energy Technology Data Exchange (ETDEWEB)

    Ben Brahim, F., E-mail: faouzi.benbrahi@fss.rnu.tn [Laboratoire des Sciences des Materiaux et de l' Environnement (MES-Lab), Faculte des Sciences de Sfax, Route de Soukra km 3.5, BP 1171, 3000 Sfax (Tunisia); Bulou, A. [Laboratoire de Physique de l' Etat Condense (LPEC), UMR CNRS no 6087, Faculte des Sciences et Techniques, Universite du Maine, 72085 Le Mans Cedex 09 (France)

    2011-10-17

    Highlights: {yields} ADP single crystals were grown with L-proline and L-arginine as guest molecules. {yields} This enhances some properties: piezo-electric, NLO, dielectric and antiferroelectic. {yields} Such compounds can be successfully used for hydrogen bonding studies. - Abstract: Ammonium dihydrogen orthophosphate (ADP) single crystals were grown with L-proline and L-arginine amino acids as additives at 4% molar concentrations. X-ray diffractograms, vibrational FT-IR, and Raman and NMR MAS of {sup 31}P and {sup 1}H spectra of pure and treated compounds were recorded at room temperature and interpreted. A shift of the wavenumbers of some internal modes of both PO{sub 4} and NH{sub 4} tetrahedrons species was observed. At the same time, some characteristic vibrational modes of N-H and C-H bonds of the organic molecules appeared in IR spectra. However, NMR results show a little shift of the resonance of the phosphorus and hydrogen nucleus, associated with some shoulders for this latter. These observations indicate that the host-additives interactions were achieved.

  12. The resolution limits of voxelated liquid crystal networks and elastomers

    Science.gov (United States)

    Kowalski, Benjamin; White, Timothy

    Arbitrary director patterning within liquid crystal network films has assimilated functional materials responses in a monolith. Examples include complex 3D shape deformations and nonlinear mechanical responses. Fast, cheap, and rapidly reconfigurable patterning techniques are needed to fully realize the opportunity space. Here we demonstrate one-shot photopatterning at display resolution, using an off-the-shelf twisted-nematic spatial light modulator and simple projection optics. At high resolution, the inscribed director profile is dominated by elastic-mediated orientational relaxation, imposing a fundamental limit on achievable voxel size. A simple model for this effect is experimentally validated, and implications for device design are discussed.

  13. 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

  14. Efficacy of metformin in human single hair fibre by ATR-FTIR spectroscopy coupled with statistical analysis.

    Science.gov (United States)

    Sundaramoorthi, Kamatchi; Sethu, Gunasekaran; Ethirajulu, Sailatha; Raja Marthandam, Pavithra

    2017-03-20

    Diabetes mellitus is chronic metabolic disorder, resulting from insulin deficiency, characterized by hyperglycemia altered metabolism of carbohydrates, proteins and lipids and an increased risk of vascular complications. There are different classes of anti-diabetic drugs in allopathic system of medicine. Metformin (dimethyl biguanide) is a blood glucose lowering agent used in the treatment of non-insulin dependent diabetes mellitus. Almost in all diseases the blood serves as the primary metabolic transport system in the body. Its composition is the preferred indicator with respect to the pathophysiological condition of the patient. Instead of analyzing blood to diagnose diabetes, hair could be used to detect diabetes using FTIR-ATR technique. The most important components of hair are fibrous proteins (keratins), melanins, glycogen, and lipids. Hair follicles are located 3-4mm below the surface of the skin and are surrounded by rich blood capillary system. In the present study, ten diabetic subjects were considered to evaluate the efficacy of metformin hydrochloride for the treatment of diabetes mellitus using FTIR-ATR spectroscopy. The spectra of diabetic hair fibre samples have been recorded in the mid infrared region of 4000-450cm -1 . The hair samples of the diabetic subjects before medication were taken as pre-treatment samples. The hair samples of diabetic subjects referred to medication with metformin for a period of three month were taken as post-treatment sample. Some remarkable spectral differences were elucidated between pre- and post-treatment hair fibre samples. A comparative study on the FTIR-ATR hair spectra of patients (pre- and post-treatment) along with the healthy subjects has been made. The absorption values of some of the specific bands of biomolecules present in the hair samples viz., protein, lipids and glucose for both the pre- and post-treatment subjects are noted. It was observed that, these biomarkers are significantly different between

  15. Proton magnetic resonance spectroscopy in the distinction of high-grade cerebral gliomas from single metastatic brain tumors

    Energy Technology Data Exchange (ETDEWEB)

    Server, Andres; Schellhorn, Till; Haakonsen, Monika; Nakstad, Per H. (Section of Neuroradiology, Dept. of Medical Imaging and Intervention, Oslo Univ. Hospital, Ullevaal, Univ. of Oslo, Oslo (Norway)), e-mail: a.s.alonso@medisin.uio.no; Josefsen, Roger (Dept. of Neurosurgery, Oslo Univ. Hospital, Ullevaal, Univ. of Oslo, Oslo (Norway)); Kulle, Bettina (Epi-Gen Faculty Division, Akershus Univ. Hospital, and Dept. of Biostatistics, Univ. of Oslo, Oslo (Norway)); Maehlen, Jan; Kumar, Theresa (Dept. of Pathology, Oslo Univ. Hospital, Ullevaal, Univ. of Oslo, Oslo (Norway)); Gadmar, Oeystein (Dept. of Diagnostic Physics, Oslo Univ. Hospital, Ullevaal, Univ. of Oslo, Oslo (Norway)); Langberg, Carl W. (Cancer Center, Oslo Univ. Hospital, Ullevaal, Univ. of Oslo, Oslo (Norway))

    2010-04-15

    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

  16. A novel drug delivery system of gold nanorods with doxorubicin and study of drug release by single molecule spectroscopy.

    Science.gov (United States)

    Mirza, Agha Zeeshan

    2015-01-01

    The work presented here describes the fabrication of a novel drug delivery system, which consists of gold nanorods and doxorubicin, with the attachment of thioctic acid and folic acid, for the targeted release of drug to cancer cells. Doxorubicin, the potent anticancer drug, is widely used to treat various cancers. Gold nanorods were functionalized chemically to generate active groups for the attachment of drug molecules and subsequently attached to folic acid. The resulting nanostructure was characterized by UV-visible-NIR spectrophotometry, TEM techniques, zeta potential measurement and subsequently used to target folate receptor-expressing cancers cells for the delivery of doxorubicin. We generated a release profile for the release of doxorubicin from the nanostructures in KB cells using single-molecule fluorescence intensity images and fluorescence lifetime images. The results indicated that the nanorods were able to enter the target cells because of the attachment of folic acid and used as a carriers for the targeted delivery of doxorubicin.

  17. 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

  18. Optical spectroscopy of Eu{sup 3+} ions doped in KLu(WO{sub 4}){sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Koubaa, T. [Université de Sfax, Faculté des Sciences de Sfax, Département de Physique, Laboratoire de Physique Appliquée, Groupe de Physique des Matériaux Luminescent, Sfax (Tunisia); Dammak, M., E-mail: madidammak@yahoo.com [Université de Sfax, Faculté des Sciences de Sfax, Département de Physique, Laboratoire de Physique Appliquée, Groupe de Physique des Matériaux Luminescent, Sfax (Tunisia); Pujol, M.C.; Aguiló, M.; Díaz, F. [Física i Cristallografia de Materials i Nanomaterials (FiCMA-FiCNA)-EMaS. Universitat Rovira i Virgili (URV), Campus Sescelades, c/ MarcelIi Domingo, 1, E-43007 Tarragona (Spain)

    2015-12-15

    Europium single doped potassium lutetium tungstate Eu{sup 3+}:KLu(WO{sub 4}){sub 2} single crystals have been grown with the top seeded solution growth slow cooling method. Their absorption spectra are studied in detail for principal light polarizations, E||N{sub p}, N{sub m} and N{sub g} at room and low temperatures. The absorption oscillator strengths parameters are calculated by means of the theory of f–f transition intensities for systems with anomalously strong configuration interaction and by Judd–Ofelt theory. The Ω{sub t} (t=2, 4, 6) intensity parameters, and the {O_d_k, O_c_k, Δ_d, Δ_c_1 and Δ_c_2} (k=1, 2, 3) ASCI parameters are calculated. The radiative transition rates A{sub R}, radiative lifetimes τ{sub R}, and fluorescent branching ratios β{sub R} associated with {sup 5}D{sub 0}–{sup 7}F{sub J} transitions of Eu{sup 3+} were determined. The calculated decay times are discussed and compared with experimental values. - Highlights: • Absorption spectra of Eu:KLuW are investigated with respect to principal light polarizations. • Spectroscopic properties of Eu:KLuW are modeled within conventional Judd–Ofelt and (ASCI) theories. • {sup 5}D{sub 0} multiplet shows the contribution of a NR processes and an ET between the Eu{sup 3+} ions. • It is suggested that the Eu{sup 3+}:KLuW is a potential host material for optical applications.

  19. Forces and Kinetics of the Bacillus subtilis Spore Coat Proteins CotY and CotX Binding to CotE Inspected by Single Molecule Force Spectroscopy.

    Science.gov (United States)

    Liu, Huiqing; Krajcikova, Daniela; Wang, Nan; Zhang, Zhe; Wang, Hongda; Barak, Imrich; Tang, Jilin

    2016-02-18

    Spores are uniquely stable cell types that are produced when bacteria encounter nutrient limitations. Spores are encased in a complex multilayered coat, which provides protection against environmental insults. The spore coat of Bacillus subtilis is composed of around 70 individual proteins that are organized into four distinct layers. Here we explored how morphogenetic protein CotE guides formation of the outermost layer of the coat, the crust, around the forespore by focusing on three proteins: CotE, CotY, and CotX. Single molecule force spectroscopy (SMFS) was used to investigate the interactions among CotE, CotY, and CotX at the single-molecule level. Direct interactions among these three proteins were observed. Additionally, the dissociation kinetics was also studied by measuring the unbinding forces of the complexes at different loading rates. A series of kinetic data of these complexes were acquired. It was found that the interaction of CotE and CotY was stronger than that of CotE and CotX.

  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. Study on the mathematical relationship existing between single-photon laser-Doppler flowmetry and diffuse correlation spectroscopy with static background.

    Science.gov (United States)

    Binzoni, Tiziano; Martelli, Fabrizio

    2017-12-01

    In the present contribution, the theoretical relationship existing between the blood flow index measured by diffuse correlation spectroscopy and single-photon laser-Doppler flowmetry (SP-LDF) is investigated. A specific mathematical description that accounts for the properties of single-photon detectors for SP-LDP was developed. Static background has also been considered and, to the best of our knowledge, this has never been included before in SP-LDF analytical theories. The comparisons were realized for two SP-LDF implementations: for "classical" and "fast" algorithms. "Classical" SP-LDF is not sensitive to small changes on the number of detected speckles and coherence length of the laser, usually described by a unique parameter "beta." This is a strong point when assessing blood flow index, e.g., in humans, where "beta" is particularly difficult to be determined in real time. The proposed theory may be utilized, e.g., to investigate other SP-LDF setups and optical/physiological parameter ranges or, generally, to optimize real SP-LDF instrumentation.

  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. Dual-volume excitation and parallel reconstruction for J-difference-edited MR spectroscopy

    DEFF Research Database (Denmark)

    Oeltzschner, Georg; Puts, Nicolaas A J; Chan, Kimberly L

    2017-01-01

    -coil sensitivity profiles. PRIAM was implemented into Mescher-Garwood (MEGA) edited experiments at 3 Tesla (T), and validated by acquiring dual-voxel MEGA-PRIAM (and compared with conventional single-voxel MEGA-PRESS) spectra from a GABA/glutathione phantom, and 11 healthy participants. RESULTS: MEGA...

  4. Determination of the concentration of single-walled carbon nanotubes in aqueous dispersions using UV-visible absorption spectroscopy.

    Science.gov (United States)

    Attal, S; Thiruvengadathan, R; Regev, O

    2006-12-01

    Stable, homogeneous, aqueous dispersions of single-walled carbon nanotubes (SWNTs) are prepared by nonspecific physical adsorption of surfactants enhanced by sonication. Upon centrifugation, supernatant and precipitate phases are obtained. The initial weights of the SWNTs and the surfactant are divided between these two phases, and the respective SWNT concentration in each phase is unknown. The focus of this work is on the determination of the true concentration of raw, exfoliated HiPCO SWNTs in the supernatant phase. A UV-visible absorption-based approach is suggested for a direct measurement of the SWNT and the surfactant concentration in the supernatant. UV-visible absorbance spectra of SWNTs-surfactant dispersions and surfactants alone reveal that the intensity of a certain peak, attributed to the pi-plasmon resonance absorption, is unaffected by the presence of most surfactants. A calibration plot is then made by monitoring the intensity of the peak as a function of the true concentration of the exfoliated SWNTs. Thus, we are able to determine the unknown concentration of surfactant-dispersed HiPCO SWNTs in the supernatant solution, simply by measuring its optical absorbance. Moreover, we can now calculate the surfactant efficiency in dispersing SWNTs. Cryogenic-transmission electron microscopy and thermogravimetric analysis techniques are used for the characterization of these dispersions and to complement the UV-visible measurements.

  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. Cotunneling spectroscopy and the properties of excited-state spin manifolds of Mn12 single molecule magnets

    Science.gov (United States)

    Rostamzadeh Renani, Fatemeh; Kirczenow, George

    2014-10-01

    We study charge transport through single molecule magnet (SMM) junctions in the cotunneling regime as a tool for investigating the properties of the excited-state manifolds of neutral Mn12 SMs. This study is motivated by a recent transport experiment [S. Kahle et al., Nano Lett. 12, 518 (2012), 10.1021/nl204141z] that probed the details of the magnetic and electronic structure of Mn12 SMMs beyond the ground-state spin manifold. A giant spin Hamiltonian and master equation approach is used to explore theoretically the cotunneling transport through Mn12-Ac SMM junctions. We identify SMM transitions that can account for both the strong and weak features of the experimental differential conductance spectra. We find the experimental results to imply that the excited spin-state manifolds of the neutral SMM have either different anisotropy constants or different g factors in comparison with its ground-state manifold. However, the latter scenario accounts best for the experimental data.

  7. A mid-infrared carbon monoxide sensor system using wideband absorption spectroscopy and a single-reflection spherical optical chamber

    Science.gov (United States)

    Dong, Ming; Zheng, Chuantao; Miao, Shuzhuo; Song, Fang; Wang, Yiding

    2017-09-01

    A mid-infrared carbon monoxide (CO) sensor system based on a dual-channel differential detection method was developed using a broadband light source in the 4.60 μm wavelength region and a single-reflection spherical optical chamber with ∼0.373 m absorption path length. CO detection was realized by targeting the wideband strong absorption lines within 4.55-4.65 μm. A dual-channel pyroelectric detector as well as a self-developed digital signal processor (DSP) based orthogonal lock-in amplifier was employed to process CO sensing signal. A minimum detection limit of ∼0.5 ppm in volume (ppmv) was achieved with a measurement time of 6 s, based on an Allan deviation analysis of the sensor system. The response time (1000 → 0 ppmv) was determined to be ∼7 s for the CO sensor operation. Due to the characteristics of low detection limit, fast response time and high cost performance, the proposed sensor has relatively good prospect in coal-mining operation.

  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. 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

  10. Single-crystalline M-type Sr Hexaferrites studied by {sup 57}Fe Mössbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nagasawa, Nobumoto, E-mail: rk15v002@stkt.u-hyogo.ac.jp; Ikeda, Shugo [University of Hyogo, Graduate School of Material Science and Center for Novel Material Science under Multi-extreme Conditions (Japan); Shimoda, Aiko; Waki, Takeshi; Tabata, Yoshikazu; Nakamura, Hiroyuki [Kyoto University, Department of Material Science and Engineering (Japan); Kobayashi, Hisao [University of Hyogo, Graduate School of Material Science and Center for Novel Material Science under Multi-extreme Conditions (Japan)

    2016-12-15

    The {sup 57}Fe Mössbauer spectra of the single crystalline and the finely ground Sr{sub 1−x}La{sub x}Fe{sub 12−y}Co{sub y}O{sub 19} (x = 0 : y = 0, x = 0.192 : y = 0.152 and x = 0.456 : y = 0.225) samples have been measured to investigate the La-Co substitution effects. All observed spectra at 150 K were well fitted using the five subspectra which correspond to the five crystallographical nonequivalent Fe sites in the M-type hexaferrite, indicating that the valence changes to Fe{sup 2+} ions in the Fe{sup 3+} ions were not observed in our Sr{sub 1−x}La{sub x}Fe{sub 12−y}Co{sub y}O{sub 19} samples. In SrFe{sub 12}O{sub 19}, the relative absorption intensities in the five subspectra show the large anisotropies in the recoilless fractions at the five Fe sites whereas these anisotropies were not observed in Sr{sub 0.544}La{sub 0.456}Fe{sub 11.775}Co{sub 0.225}O{sub 19}. These results indicate the chemical compositional dependence on the anisotropies of the recoilless fractions at the five Fe sites. The substitution of a Co{sup 2+} ion for the Fe{sup 3+} ion changes the center shifts of the Fe{sup 3+} ions near the Co{sup 2+} ion by the perturbation of the Fe-O-Co hybridizations. Therefore, the Co{sup 2+} ions occupy the 4f{sub 1} and the 4f{sub 2} sites due to the chemical compositional dependences of the refined magnetic hyperfine field and center shifts of the Fe{sup 3+} ions.

  11. 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.

  12. Development of Compton X-ray spectrometer for high energy resolution single-shot high-flux hard X-ray spectroscopy

    International Nuclear Information System (INIS)

    Kojima, Sadaoki; Ikenouchi, Takahito; Arikawa, Yasunobu; Sakata, Shohei; Zhang, Zhe; Abe, Yuki; Nakai, Mitsuo; Nishimura, Hiroaki; Shiraga, Hiroyuki; Fujioka, Shinsuke; Azechi, Hiroshi; Ozaki, Tetsuo; Miyamoto, Shuji; Yamaguchi, Masashi; Takemoto, Akinori

    2016-01-01

    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 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 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.

  13. 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

  14. Single Molecule Spectroscopy: Single Live Cell

    Indian Academy of Sciences (India)

    kbhattacharjee

    Live Cell Imaging: Seeing inside a cell. • Cell: ~20,000 nm ~ 100 times bigger than focus. • Label different parts of a cell with fluorescent dye. • Cancer Cell: How different from a normal cell? cell. Space & time resolution ...

  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. 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.

  17. The added value of quantitative multi-voxel MR spectroscopy in breast magnetic resonance imaging

    Energy Technology Data Exchange (ETDEWEB)

    Dorrius, M.D.; Pijnappel, R.M.; Jansen, M.C.W. van der; Kappert, P.; Oudkerk, M.; Sijens, P.E. [University Medical Center Groningen, University of Groningen, Department of Radiology, Groningen (Netherlands); Jansen, L. [University Medical Center Groningen, University of Groningen, Department of Surgery, Groningen (Netherlands)

    2012-04-15

    To determine whether quantitative multivoxel MRS improves the accuracy of MRI in the assessment of breast lesions. Twenty-five consecutive patients with 26 breast lesions {>=}1 cm assessed as BI-RADS 3 or 4 with mammography underwent quantitative multivoxel MRS and contrast-enhanced MRI. The choline (Cho) concentration was calculated using the unsuppressed water signal as a concentration reference. ROC analysis established the diagnostic accuracy of MRI and MRS in the assessment of breast lesions. Respective Cho concentrations in 26 breast lesions re-classified by MRI as BI-RADS 2 (n = 5), 3 (n = 8), 4 (n = 5) and 5 (n = 8) were 1.16 {+-} 0.43 (mean {+-} SD), 1.43 {+-} 0.47, 2.98 {+-} 2.15 and 4.94 {+-} 3.10 mM. Two BI-RADS 3 lesions and all BI-RADS 4 and 5 lesions were malignant on histopathology and had Cho concentrations between 1.7 and 11.8 mM (4.03 {+-} 2.72 SD), which were significantly higher (P = 0.01) than that in the 11 benign lesions (0.4-1.5 mM; 1.19 {+-} 0.33 SD). Furthermore, Cho concentrations in the benign and malignant breast lesions in BI-RADS 3 category differed (P = 0.01). The accuracy of combined multivoxel MRS/breast MRI BI-RADS re-classification (AUC = 1.00) exceeded that of MRI alone (AUC = 0.96 {+-} 0.03). These preliminary data indicate that multivoxel MRS improves the accuracy of MRI when using a Cho concentration cut-off {<=}1.5 mM for benign lesions. (orig.)

  18. The added value of quantitative multi-voxel MR spectroscopy in breast magnetic resonance imaging

    NARCIS (Netherlands)

    Dorrius, M. D.; Pijnappel, R. M.; Jansen, M. C. van der Weide; Jansen, L.; Kappert, P.; Oudkerk, M.; Sijens, P. E.

    To determine whether quantitative multivoxel MRS improves the accuracy of MRI in the assessment of breast lesions. Twenty-five consecutive patients with 26 breast lesions a parts per thousand yen1 cm assessed as BI-RADS 3 or 4 with mammography underwent quantitative multivoxel MRS and

  19. 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

  20. Connecting horizon pixels and interior voxels of a black hole

    Directory of Open Access Journals (Sweden)

    Piero Nicolini

    2014-11-01

    Full Text Available 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.

  1. Voxel Datacubes for 3D Visualization in Blender

    Science.gov (United States)

    Gárate, Matías

    2017-05-01

    The growth of computational astrophysics and the complexity of multi-dimensional data sets evidences the need for new versatile visualization tools for both the analysis and presentation of the data. In this work, we show how to use the open-source software Blender as a three-dimensional (3D) visualization tool to study and visualize numerical simulation results, focusing on astrophysical hydrodynamic experiments. With a datacube as input, the software can generate a volume rendering of the 3D data, show the evolution of a simulation in time, and do a fly-around camera animation to highlight the points of interest. We explain the process to import simulation outputs into Blender using the voxel data format, and how to set up a visualization scene in the software interface. This method allows scientists to perform a complementary visual analysis of their data and display their results in an appealing way, both for outreach and science presentations.

  2. Metabolic changes in the normal ageing brain: Consistent findings from short and long echo time proton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gruber, S.; Pinker, K. [Department of Diagnostic Radiology, Medical University of Vienna, 1090 Vienna (Austria); MR Centre of Excellence, Medical University of Vienna, 1090 Vienna (Austria); Riederer, F. [Department of Neurology, Medical University of Vienna, 1090 Vienna (Austria); Chmelik, M. [Department of Internal Medicine III, Medical University of Vienna, 1090 Vienna (Austria); MR Centre of Excellence, Medical University of Vienna, 1090 Vienna (Austria); Stadlbauer, A. [Department of Neurosurgery, University of Erlangen-Nuremberg (Germany); Bittsansky, M. [Department of Diagnostic Radiology, Medical University of Vienna, 1090 Vienna (Austria); MR Centre of Excellence, Medical University of Vienna, 1090 Vienna (Austria); Mlynarik, V. [LIFMET, EPFL, Lausanne (Switzerland); Frey, R. [Department of Psychiatry, Medical University of Vienna, 1090 Vienna (Austria); Serles, W. [Department of Neurology, Medical University of Vienna, 1090 Vienna (Austria); Bodamer, O. [Department of Paediatrics, Medical University of Vienna, 1090 Vienna (Austria); Moser, E. [Department of Diagnostic Radiology, Medical University of Vienna, 1090 Vienna (Austria); MR Centre of Excellence, Medical University of Vienna, 1090 Vienna (Austria); Centre for Biomedical Engineering and Physics, Medical University of Vienna, 1090 Vienna (Austria)], E-mail: ewald.moser@meduniwien.ac.at

    2008-11-15

    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 {sup 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.

  3. 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.

  4. 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.

  5. Using Raman spectroscopy and chemometrics to identify the growth phase of Lactobacillus casei Zhang during batch culture at the single-cell level.

    Science.gov (United States)

    Ren, Yan; Ji, Yuetong; Teng, Lin; Zhang, Heping

    2017-12-23

    As microbial cultures are comprised of heterogeneous cells that differ according to their size and intracellular concentrations of DNA, proteins, and other constituents, the detailed identification and discrimination of the growth phases of bacterial populations in batch culture is challenging. Cell analysis is indispensable for quality control and cell enrichment. In this paper, we report the results of our investigation on the use of single-cell Raman spectrometry (SCRS) for real-time analysis and prediction of cells in different growth phases during batch culture of Lactobacillus (L.) casei Zhang. A targeted analysis of defined cell growth phases at the level of the single cell, including lag phase, log phase, and stationary phase, was facilitated by SCRS. Spectral shifts were identified in different states of cell growth that reflect biochemical changes specific to each cell growth phase. Raman peaks associated with DNA and RNA displayed a decrease in intensity over time, whereas protein-specific and lipid-specific Raman vibrations increased at different rates. Furthermore, a supervised classification model (Random Forest) was used to specify the lag phase, log phase, and stationary phase of cells based on SCRS, and a mean sensitivity of 90.7% and mean specificity of 90.8% were achieved. In addition, the correct cell type was predicted at an accuracy of approximately 91.2%. To conclude, Raman spectroscopy allows label-free, continuous monitoring of cell growth, which may facilitate more accurate estimates of the growth states of lactic acid bacterial populations during fermented batch culture in industry.

  6. 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.

  7. Development of prostate voxel models for brachytherapy treatment

    International Nuclear Information System (INIS)

    Santos, Adriano M.; Reis, Lucas P.; Grynberg, Suely E.

    2011-01-01

    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)

  8. 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)

  9. Quantum-limit spectroscopy

    CERN Document Server

    Ficek, Zbigniew

    2017-01-01

    This book covers the main ideas, methods, and recent developments of quantum-limit optical spectroscopy and applications to quantum information, resolution spectroscopy, measurements beyond quantum limits, measurement of decoherence, and entanglement. Quantum-limit spectroscopy lies at the frontier of current experimental and theoretical techniques, and is one of the areas of atomic spectroscopy where the quantization of the field is essential to predict and interpret the existing experimental results. Currently, there is an increasing interest in quantum and precision spectroscopy both theoretically and experimentally, due to significant progress in trapping and cooling of single atoms and ions. This progress allows one to explore in the most intimate detail the ways in which light interacts with atoms and to measure spectral properties and quantum effects with high precision. Moreover, it allows one to perform subtle tests of quantum mechanics on the single atom and single photon scale which were hardly eve...

  10. Gold nanoparticles with tipped surface structures as substrates for single-particle surface-enhanced Raman spectroscopy: concave nanocubes, nanotrisoctahedra, and nanostars.

    Science.gov (United States)

    Zhang, Qingfeng; Large, Nicolas; Wang, Hui

    2014-10-08

    We demonstrate that Au nanoparticles with tipped surface structures, such as concave nanocubes, nanotrisoctahedra, and nanostars, possess size-dependent tunable plasmon resonances and intense near-field enhancements exploitable for single-particle surface-enhanced Raman spectroscopy (spSERS) under near-infrared excitation. We report a robust seed-mediated growth method for the selective fabrication of Au concave nanocubes, nanotrisoctahedra, and nanostars with fine-controlled particle sizes and narrow size distributions. Through tight control over particle sizes, the plasmon resonances of the nanoparticles can be fine-tuned over a broad spectral range with respect to the excitation laser, allowing us to systematically quantify the SERS enhancements on individual nanoparticles as a function of particle size for each particle geometry. Understanding of the geometry-dependent plasmonic characteristics and SERS activities of the nanoparticles is further enhanced by finite-difference time-domain (FDTD) calculations. Our results clearly show that strong SERS enhancements can be obtained and further optimized on individual Au nanoparticles with nanoengineered "hot spots" on their tipped surfaces when the plasmon resonances of the nanoparticles are tuned to the optimal spectral regions with respect to the excitation laser wavelength. Using tunable plasmonic nanoparticles with tipped surface structures as substrates for spSERS represents a highly promising and feasible approach to the optimization of SERS-based sensing and imaging applications.

  11. 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.

  12. Charge trapping and storage by composite P3HT/PC60BM nanoparticles investigated by fluorescence-voltage/single particle spectroscopy.

    Science.gov (United States)

    Hu, Zhongjian; Gesquiere, Andre J

    2011-12-28

    Fluorescence-voltage/single particle spectroscopy (F-V/SPS) was employed to study exciton-hole polaron interactions and interfacial charge transfer processes for pure poly(3-hexylthiophene) (P3HT) nanoparticles (NPs) and composite P3HT/PC(60)BM NPs in functioning hole-injection devices. F-V/SPS data collected on a particle-by-particle basis reveal an apparent bistability in the fluorescence-voltage modulation curves for composite NPs of P3HT and [6,6]-phenyl-C(61)-butyric acid methyl ester (PC(60)BM) that is absent for pure P3HT NPs. A pronounced deep trapping of free electrons photogenerated from the composite P3HT/PC(60)BM NPs at the NP/dielectric interface and hole trapping by fullerene anions in composite P3HT/PC(60)BM NPs under photoexcitation lies at the basis of this finding. The deep electron trapping effect reported here for composite conjugated polymer/fullerene NPs presents an opportunity for future application of these NPs in nanoscale memory and imaging devices. © 2011 American Chemical Society

  13. 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.

  14. Preconcentration of thallium (I) by single drop microextraction with electrothermal atomic absorption spectroscopy detection using dicyclohexano-18-crown-6 as extractant system

    International Nuclear Information System (INIS)

    Chamsaz, Mahmoud; Arbab-Zavar, Mohammad Hossien; Darroudi, Abolfazl; Salehi, Thiery

    2009-01-01

    A simple single drop liquid-phase microextraction (SDME) technique, combined with electrothermal atomic absorption spectroscopy (ETAAS) is developed both to preconcentrate and determine thallium (I) ions in aqueous solutions. The ions were transferred from 10.0 ml of aqueous sample (donor phase) containing 0.5 ml of 1% picric acid as the ion-pair agent into a 3 μl microdrop of nitrobenzene (acceptor phase) containing dicyclohexano-18-crown-6 as the complexing agent. The latter will help to improve the extraction efficiency of the analyte. After the ions have been extracted, the acceptor drop was directly injected into a graphite furnace for thallium (I) determination. Several parameters such as the extracting solvent, extraction time, temperature, concentration of picric acid and crown ether, drop volume and stirring rate were examined. Under the optimized experimental conditions, the detection limit (L.O.D.) was 0.7 ng ml -1 . The relative standard deviation for five replicate analysis of 10 ng ml -1 of thallium (I) was 5.1%. The calibration curve was linear in the range of 3-22 ng ml -1 . The results for determination of thallium in reference material, spiked tap water and seawater demonstrated the accuracy, recovery and applicability of the presented method. The enrichment factor was 50.

  15. Preconcentration of thallium (I) by single drop microextraction with electrothermal atomic absorption spectroscopy detection using dicyclohexano-18-crown-6 as extractant system.

    Science.gov (United States)

    Chamsaz, Mahmoud; Arbab-Zavar, Mohammad Hossien; Darroudi, Abolfazl; Salehi, Thiery

    2009-08-15

    A simple single drop liquid-phase microextraction (SDME) technique, combined with electrothermal atomic absorption spectroscopy (ETAAS) is developed both to preconcentrate and determine thallium (I) ions in aqueous solutions. The ions were transferred from 10.0 ml of aqueous sample (donor phase) containing 0.5 ml of 1% picric acid as the ion-pair agent into a 3 microl microdrop of nitrobenzene (acceptor phase) containing dicyclohexano-18-crown-6 as the complexing agent. The latter will help to improve the extraction efficiency of the analyte. After the ions have been extracted, the acceptor drop was directly injected into a graphite furnace for thallium (I) determination. Several parameters such as the extracting solvent, extraction time, temperature, concentration of picric acid and crown ether, drop volume and stirring rate were examined. Under the optimized experimental conditions, the detection limit (L.O.D.) was 0.7 ng ml(-1). The relative standard deviation for five replicate analysis of 10 ng ml(-1) of thallium (I) was 5.1%. The calibration curve was linear in the range of 3-22 ng ml(-1). The results for determination of thallium in reference material, spiked tap water and seawater demonstrated the accuracy, recovery and applicability of the presented method. The enrichment factor was 50.

  16. Observation of the flexoelectricity of a SrTiO3 single crystal by x-ray absorption and emission spectroscopies

    Science.gov (United States)

    Lu, C.; Nakajima, N.; Maruyama, H.

    2017-02-01

    Flexoelectricity, defined as the spontaneous electric polarization in a dielectric material induced by a strain gradient, is investigated from the microscopic viewpoint by x-ray spectroscopy. A single crystal SrTiO3 sample was used as a test system in order to reveal the appearance of the electric dipole moment by simple bending of the crystal. The spectral change characteristic of ferroelectric transition in SrTiO3 was not observed in the Ti K-edge absorption spectra. Instead, the gradual decrease (increase) of the post-edge feature (pre-edge structure) by bending was qualitatively explained using theoretical calculations that assumed the presence of oxygen vacancies and a slight crystal distortion. This assumption is also supported by the broadening of a tiny charge-transfer peak in the Ti Kβ resonant emission spectra. Therefore, it was revealed that the flexoelectric effect in SrTiO3 is easily drowned out through local imperfection induced by crystal deformations and cracks.

  17. Quantum Transport and Nano Angle-resolved Photoemission Spectroscopy on the Topological Surface States of Single Sb2Te3 Nanowires

    Science.gov (United States)

    Arango, Yulieth C.; Huang, Liubing; Chen, Chaoyu; Avila, Jose; Asensio, Maria C.; Grützmacher, Detlev; Lüth, Hans; Lu, Jia Grace; Schäpers, Thomas

    2016-01-01

    We report on low-temperature transport and electronic band structure of p-type Sb2Te3 nanowires, grown by chemical vapor deposition. Magnetoresistance measurements unravel quantum interference phenomena, which depend on the cross-sectional dimensions of the nanowires. The observation of periodic Aharonov-Bohm-type oscillations is attributed to transport in topologically protected surface states in the Sb2Te3 nanowires. The study of universal conductance fluctuations demonstrates coherent transport along the Aharonov-Bohm paths encircling the rectangular cross-section of the nanowires. We use nanoscale angle-resolved photoemission spectroscopy on single nanowires (nano-ARPES) to provide direct experimental evidence on the nontrivial topological character of those surface states. The compiled study of the bandstructure and the magnetotransport response unambiguosly points out the presence of topologically protected surface states in the nanowires and their substantial contribution to the quantum transport effects, as well as the hole doping and Fermi velocity among other key issues. The results are consistent with the theoretical description of quantum transport in intrinsically doped quasi-one-dimensional topological insulator nanowires. PMID:27581169

  18. 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.

  19. A Comparative Study of Single-pulse and Double-pulse Laser-Induced Breakdown Spectroscopy with Uranium-containing Samples.

    Science.gov (United States)

    Skrodzki, Patrick J; Becker, Jason R; Diwakar, Prasoon K; Harilal, Sivanandan S; Hassanein, Ahmed

    2016-03-01

    Laser-induced breakdown spectroscopy (LIBS) holds potential advantages in special nuclear material (SNM) sensing and nuclear forensics, which require rapid analysis, minimal sample preparation, and stand-off distance capability. SNM, such as U, however, result in crowded emission spectra with LIBS, and characteristic emission lines are challenging to discern. It is well-known that double-pulse LIBS (DPLIBS) improves the signal intensity for analytes over conventional single-pulse LIBS (SPLIBS). This study investigates the U signal in a glass matrix using DPLIBS and compares it to signal obtained using SPLIBS. Double-pulse LIBS involves sequential firing of a 1.06 µm Nd:YAG pre-pulse and 10.6 µm TEA CO2 heating pulse in a near collinear geometry. Optimization of experimental parameters including inter-pulse delay and energy follows identification of characteristic lines for the bulk analyte Ca and the minor constituent analyte U for both DPLIBS and SPLIBS. Spatial and temporal coupling of the two pulses in the proposed DPLIBS technique yields improvements in analytical merits with a negligible increase in damage to the sample compared to SPLIBS. Subsequently, the study discusses optimum plasma emission conditions of U lines and relative figures of merit in both SPLIBS and DPLIBS. Investigation into plasma characteristics also addresses plausible mechanisms related to the observed U analyte signal variation between SPLIBS and DPLIBS. © The Author(s) 2016.

  20. 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.

  1. 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.)

  2. Computational strategies for iterative solutions of large fem applications employing voxel data

    NARCIS (Netherlands)

    R. van Rietbergen (Bert); H.H. Weinans (Harrie); R. Huiskes (Rik); B.J.W. Polman (Ben)

    1996-01-01

    textabstractFE-models for structural solid mechanics analyses can be readily generated from computer images via a 'voxel convesion' method, whereby voxels in a two- or three-dimesional computer image are directly translated to elements in a FE-model. The fact that all elements thus generated are the

  3. 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

  4. 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)

  5. 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.

  6. 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.)

  7. Adults with attention-deficit/hyperactivity disorder – a brain magnetic resonance spectroscopy study

    Directory of Open Access Journals (Sweden)

    Margaretha eDramsdahl

    2011-11-01

    Full Text Available BackgroundImpaired 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 (ACC in adults with ADHD and healthy controls. MethodsTwenty-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 groups. ResultsThe ADHD group showed a significant reduction of Glu/Cre in the left midfrontal region compared to the controls. ConclusionsThe 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, resulting in problems with cognitive control.

  8. 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.)

  9. 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.

  10. 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

  11. Combining single-particle inductively coupled plasma mass spectrometry and X-ray absorption spectroscopy to evaluate the release of colloidal arsenic from environmental samples.

    Science.gov (United States)

    Gomez-Gonzalez, Miguel Angel; Bolea, Eduardo; O'Day, Peggy A; Garcia-Guinea, Javier; Garrido, Fernando; Laborda, Francisco

    2016-07-01

    Detection and sizing of natural colloids involved in the release and transport of toxic metals and metalloids is essential to understand and model their environmental effects. Single-particle inductively coupled plasma mass spectrometry (SP-ICP-MS) was applied for the detection of arsenic-bearing particles released from mine wastes. Arsenic-bearing particles were detected in leachates from mine wastes, with a mass-per-particle detection limit of 0.64 ng of arsenic. Conversion of the mass-per-particle information provided by SP-ICP-MS into size information requires knowledge of the nature of the particles; therefore, synchrotron-based X-ray absorption spectroscopy (XAS) was used to identify scorodite (FeAsO4·2H2O) as the main species in the colloidal particles isolated by ultrafiltration. The size of the scorodite particles detected in the leachates was below 300-350 nm, in good agreement with the values obtained by TEM. The size of the particles detected by SP-ICP-MS was determined as the average edge of scorodite crystals, which show a rhombic dipyramidal form, achieving a size detection limit of 117 nm. The combined use of SP-ICP-MS and XAS allowed detection, identification, and size determination of scorodite particles released from mine wastes, suggesting their potential to transport arsenic. Graphical abstract Analytical approach for the detection and size characterization of As-bearing particles by SP-ICP-MS and XAS in environmental samples.

  12. 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.

  13. Ethylene hydrogenation catalysis on Pt(111) single-crystal surfaces studied by using mass spectrometry and in situ infrared absorption spectroscopy

    Science.gov (United States)

    Tillekaratne, Aashani; Simonovis, Juan Pablo; Zaera, Francisco

    2016-10-01

    The catalytic hydrogenation of ethylene promoted by a Pt(111) single crystal was studied by using a ultrahigh-vacuum surface-science instrument equipped with a so-called high-pressure cell. Kinetic data were acquired continuously during the catalytic conversion of atmospheric-pressure mixtures of ethylene and hydrogen by using mass spectrometry while simultaneously characterizing the surface species in operando mode by reflection-absorption infrared spectroscopy (RAIRS). Many observations reported in previous studies of this system were corroborated, including the presence of adsorbed alkylidyne intermediates during the reaction and the zero-order dependence of the rate of hydrogenation on the pressure of ethylene. In addition, the high quality of the kinetic data, which could be recorded continuously versus time and processed to calculate time-dependent turnover frequencies (TOFs), afforded a more detailed analysis of the mechanism. Specifically, deuterium labeling could be used to estimate the extent of isotope scrambling reached with mixed-isotope-substituted reactants (C2H4 + D2 and C2D4 + H2). Perhaps the most important new observation from this work is that, although extensive H-D exchange takes place on ethylene before being fully converted to ethane, the average stoichiometry of the final product retains the expected stoichiometry of the gas mixture, that is, four regular hydrogen atoms and two deuteriums per ethane molecule in the case of the experiments with C2H4 + D2. This means that no hydrogen atoms are removed from the surface via their inter-recombination to produce X2 (X = H or D). It is concluded that, under catalytic conditions, hydrogen surface recombination is much slower than ethylene hydrogenation and H-D exchange.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. Voxel models representing the male and female ICRP reference adult: a dosimetric tool for medical imaging

    Science.gov (United States)

    Zankl, M.; Schlattl, H.; Becker, J.; Petoussi-Henss, N.; Hoeschen, C.

    2008-03-01

    For optimisation in diagnostic medical imaging it is important to consider the relation between diagnostic image quality and patient dose. In the past, schematic representations of the human body were commonly used for dosimetric simulations together with Monte Carlo codes. During the last two decades, voxel models were introduced as an improvement to these body models. Studies performed by various research groups have shown that the more realistic organ topology of voxel models constructed from medical image data of real persons has an impact on calculated doses for external as well as internal exposures. As a consequence of these findings, the ICRP decided to use voxel models for the forthcoming update of organ dose conversion coefficients. These voxel models should be representative of an average population, i.e. they should resemble the ICRP reference anatomical data with respect to their external dimensions and their organ masses. To meet the ICRP requirements, our group at the Helmholtz Zentrum München (formerly known as GSF-National Research Center for Environment and Health) constructed voxel models of a male and female adult, based on the voxel models of two individuals whose body height and weight resembled those of the male and female ICRP reference adult. The organ masses of both models were adjusted to the ICRP reference anatomical data, without spoiling their realistic anatomy. The paper describes the method used for this process and the resulting voxel models.

  19. 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.

  20. 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

  1. 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.

  2. Voxel-based morphometry in autopsy proven PSP and CBD.

    Science.gov (United States)

    Josephs, Keith A; Whitwell, Jennifer L; Dickson, Dennis W; Boeve, Bradley F; Knopman, David S; Petersen, Ronald C; Parisi, Joseph E; Jack, Clifford R

    2008-02-01

    The aim of this study was to compare the patterns of grey and white matter atrophy on MRI in autopsy confirmed progressive supranuclear palsy (PSP) and corticobasal degeneration (CBD), and to determine whether the patterns vary depending on the clinical syndrome. Voxel-based morphometry was used to compare patterns of atrophy in 13 PSP and 11 CBD subjects and 24 controls. PSP and CBD subjects were also subdivided into those with a dominant dementia or extrapyramidal syndrome. PSP subjects showed brainstem atrophy with involvement of the cortex and underlying white matter. Frontoparietal grey and subcortical grey matter atrophy occurred in CBD. When subdivided, PSP subjects with an extrapyramidal syndrome had more brainstem atrophy and less cortical atrophy than CBD subjects with an extrapyramidal syndrome. PSP subjects with a dementia syndrome had more subcortical white matter atrophy than CBD subjects with a dementia syndrome. These results show regional differences between PSP and CBD that are useful in predicting the underlying pathology, and help to shed light on the in vivo distribution of regional atrophy in PSP and CBD.

  3. 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.

  4. What do differences between multi-voxel and univariate analysis mean? How subject-, voxel-, and trial-level variance impact fMRI analysis.

    Science.gov (United States)

    Davis, Tyler; LaRocque, Karen F; Mumford, Jeanette A; Norman, Kenneth A; Wagner, Anthony D; Poldrack, Russell A

    2014-08-15

    Multi-voxel pattern analysis (MVPA) has led to major changes in how fMRI data are analyzed and interpreted. Many studies now report both MVPA results and results from standard univariate voxel-wise analysis, often with the goal of drawing different conclusions from each. Because MVPA results can be sensitive to latent multidimensional representations and processes whereas univariate voxel-wise analysis cannot, one conclusion that is often drawn when MVPA and univariate results differ is that the activation patterns underlying MVPA results contain a multidimensional code. In the current study, we conducted simulations to formally test this assumption. Our findings reveal that MVPA tests are sensitive to the magnitude of voxel-level variability in the effect of a condition within subjects, even when the same linear relationship is coded in all voxels. We also find that MVPA is insensitive to subject-level variability in mean activation across an ROI, which is the primary variance component of interest in many standard univariate tests. Together, these results illustrate that differences between MVPA and univariate tests do not afford conclusions about the nature or dimensionality of the neural code. Instead, targeted tests of the informational content and/or dimensionality of activation patterns are critical for drawing strong conclusions about the representational codes that are indicated by significant MVPA results. Copyright © 2014 Elsevier Inc. All rights reserved.

  5. Motion as a perturbation: Measurement-guided dose estimates to moving patient voxels during modulated arc deliveries

    Energy Technology Data Exchange (ETDEWEB)

    Feygelman, Vladimir; Zhang, Geoffrey; Hunt, Dylan; Opp, Daniel [Department of Radiation Oncology, Moffitt Cancer Center, Tampa, Florida 33612 (United States); Stambaugh, Cassandra [Department of Physics, University of South Florida, Tampa, Florida 33612 (United States); Wolf, Theresa K. [Live Oak Technologies LLC, Kirkwood, Missouri 63122 (United States); Nelms, Benjamin E. [Canis Lupus LLC, Merrimac, Wisconsin 53561 (United States)

    2013-02-15

    MLC sequences. For all phantoms and plans, time-resolved (10 Hz) ion chamber dose was collected. In addition, coronal (XY) films were exposed in the cube phantom to a VMAT beam with two different starting phases, and compared to the reconstructed motion-perturbed dose planes. Results: For the X or Y motions with the moving strip and geometrical phantoms, the maximum difference between perturbation-reconstructed and ion chamber doses did not exceed 1.9%, and the average for any motion pattern/starting phase did not exceed 1.3%. For the VMAT plans on the cubic and thoracic phantoms, one point exhibited a 3.5% error, while the remaining five were all within 1.1%. Across all the measurements (N = 22), the average disagreement was 0.5 {+-} 1.3% (1 SD). The films exhibited {gamma}(3%/3 mm) passing rates {>=}90%. Conclusions: The dose to an arbitrary moving voxel in a patient can be estimated with acceptable accuracy for a VMAT delivery, by performing a single QA measurement with a cylindrical phantom and applying two consecutive perturbations to the TPS-calculated patient dose. The first one accounts for the differences between the planned and delivered static doses, while the second one corrects for the motion.

  6. Spatial Mapping of Protein Abundances in the Mouse Brain by Voxelation Integrated with High-Throughput Liquid Chromatography ? Mass Spectrometry

    International Nuclear Information System (INIS)

    Petyuk, Vladislav A.; Qian, Weijun; Chin, Mark H.; Wang, Haixing H.; Livesay, Eric A.; Monroe, Matthew E.; Adkins, Joshua N.; Jaitly, Navdeep; Anderson, David J.; Camp, David G.; Smith, Desmond J.; Smith, Richard D.

    2007-01-01

    Temporally and spatially resolved mapping of protein abundance patterns within the mammalian brain is of significant interest for understanding brain function and molecular etiologies of neurodegenerative diseases; however, such imaging efforts have been greatly challenged by complexity of the proteome, throughput and sensitivity of applied analytical methodologies, and accurate quantitation of protein abundances across the brain. Here, we describe a methodology for comprehensive spatial proteome mapping that addresses these challenges by employing voxelation integrated with automated microscale sample processing, high-throughput LC system coupled with high resolution Fourier transform ion cyclotron mass spectrometer and a ''universal'' stable isotope labeled reference sample approach for robust quantitation. We applied this methodology as a proof-of-concept trial for the analysis of protein distribution within a single coronal slice of a C57BL/6J mouse brain. For relative quantitation of the protein abundances across the slice, an 18O-isotopically labeled reference sample, derived from a whole control coronal slice from another mouse, was spiked into each voxel sample and stable isotopic intensity ratios were used to obtain measures of relative protein abundances. In total, we generated maps of protein abundance patterns for 1,028 proteins. The significant agreement of the protein distributions with previously reported data supports the validity of this methodology, which opens new opportunities for studying the spatial brain proteome and its dynamics during the course of disease progression and other important biological and associated health aspects in a discovery-driven fashion

  7. Focal retrograde amnesia: voxel-based morphometry findings in a case without MRI lesions.

    Directory of Open Access Journals (Sweden)

    Bernhard Sehm

    Full Text Available Focal retrograde amnesia (FRA is a rare neurocognitive disorder presenting with an isolated loss of retrograde memory. In the absence of detectable brain lesions, a differentiation of FRA from psychogenic causes is difficult. Here we report a case study of persisting FRA after an epileptic seizure. A thorough neuropsychological assessment confirmed severe retrograde memory deficits while anterograde memory abilities were completely normal. Neurological and psychiatric examination were unremarkable and high-resolution MRI showed no neuroradiologically apparent lesion. However, voxel-based morphometry (VBM-comparing the MRI to an education-, age-and sex-matched control group (n = 20 disclosed distinct gray matter decreases in left temporopolar cortex and a region between right posterior parahippocampal and lingual cortex. Although the results of VBM-based comparisons between a single case and a healthy control group are generally susceptible to differences unrelated to the specific symptoms of the case, we believe that our data suggest a causal role of the cortical areas detected since the retrograde memory deficit is the preeminent neuropsychological difference between patient and controls. This was paralleled by grey matter differences in central nodes of the retrograde memory network. We therefore suggest that these subtle alterations represent structural correlates of the focal retrograde amnesia in our patient. Beyond the implications for the diagnosis and etiology of FRA, our results advocate the use of VBM in conditions that do not show abnormalities in clinical radiological assessment, but show distinct neuropsychological deficits.

  8. An exact general remeshing scheme applied to physically conservative voxelization

    Science.gov (United States)

    Powell, Devon; Abel, Tom

    2015-09-01

    We present an exact general remeshing scheme to compute analytic integrals of polynomial functions over the intersections between convex polyhedral cells of old and new meshes. In physics applications this allows one to ensure global mass, momentum, and energy conservation while applying higher-order polynomial interpolation. We elaborate on applications of our algorithm arising in the analysis of cosmological N-body data, computer graphics, and continuum mechanics problems. We focus on the particular case of remeshing tetrahedral cells onto a Cartesian grid such that the volume integral of the polynomial density function given on the input mesh is guaranteed to equal the corresponding integral over the output mesh. We refer to this as "physically conservative voxelization." At the core of our method is an algorithm for intersecting two convex polyhedra by successively clipping one against the faces of the other. This algorithm is an implementation of the ideas presented abstractly by Sugihara [48], who suggests using the planar graph representations of convex polyhedra to ensure topological consistency of the output. This makes our implementation robust to geometric degeneracy in the input. We employ a simplicial decomposition to calculate moment integrals up to quadratic order over the resulting intersection domain. We also address practical issues arising in a software implementation, including numerical stability in geometric calculations, management of cancellation errors, and extension to two dimensions. In a comparison to recent work, we show substantial performance gains. We provide a C implementation intended to be a fast, accurate, and robust tool for geometric calculations on polyhedral mesh elements.

  9. Voxel-based clustered imaging by multiparameter diffusion tensor images for glioma grading.

    Science.gov (United States)

    Inano, Rika; Oishi, Naoya; Kunieda, Takeharu; Arakawa, Yoshiki; Yamao, Yukihiro; Shibata, Sumiya; Kikuchi, Takayuki; Fukuyama, Hidenao; Miyamoto, Susumu

    2014-01-01

    Gliomas are the most common intra-axial primary brain tumour; therefore, predicting glioma grade would influence therapeutic strategies. Although several methods based on single or multiple parameters from diagnostic images exist, a definitive method for pre-operatively determining glioma grade remains unknown. We aimed to develop an unsupervised method using multiple parameters from pre-operative diffusion tensor images for obtaining a clustered image that could enable visual grading of gliomas. Fourteen patients with low-grade gliomas and 19 with high-grade gliomas underwent diffusion tensor imaging and three-dimensional T1-weighted magnetic resonance imaging before tumour resection. Seven features including diffusion-weighted imaging, fractional anisotropy, first eigenvalue, second eigenvalue, third eigenvalue, mean diffusivity and raw T2 signal with no diffusion weighting, were extracted as multiple parameters from diffusion tensor imaging. We developed a two-level clustering approach for a self-organizing map followed by the K-means algorithm to enable unsupervised clustering of a large number of input vectors with the seven features for the whole brain. The vectors were grouped by the self-organizing map as protoclusters, which were classified into the smaller number of clusters by K-means to make a voxel-based diffusion tensor-based clustered image. Furthermore, we also determined if the diffusion tensor-based clustered image was really helpful for predicting pre-operative glioma grade in a supervised manner. The ratio of each class in the diffusion tensor-based clustered images was calculated from the regions of interest manually traced on the diffusion tensor imaging space, and the common logarithmic ratio scales were calculated. We then applied support vector machine as a classifier for distinguishing between low- and high-grade gliomas. Consequently, the sensitivity, specificity, accuracy and area under the curve of receiver operating characteristic

  10. Aging effects on cerebral asymmetry: a voxel-based morphometry and diffusion tensor imaging study.

    Science.gov (United States)

    Takao, Hidemasa; Abe, Osamu; Yamasue, Hidenori; Aoki, Shigeki; Kasai, Kiyoto; Sasaki, Hiroki; Ohtomo, Kuni

    2010-01-01

    The hemispheres of the human brain are functionally and structurally asymmetric. The purpose of this study was to evaluate the effects of aging on gray and white matter asymmetry. Two hundred twenty-six right-handed normal volunteers aged 21-71 years were included in this study. The effects of aging on gray matter volume asymmetry and white matter fractional anisotropy asymmetry were evaluated with use of voxel-based morphometry and voxel-based analysis of fractional anisotropy maps derived from diffusion tensor imaging (DTI), respectively. The voxel-based morphometry showed no significant correlation between age and gray matter volume asymmetry. The voxel-based analysis of DTI also showed no significant correlation between age and white matter fractional anisotropy asymmetry. Our results showed no significant effects of aging on either gray matter volume asymmetry or white matter fractional anisotropy asymmetry.

  11. Diffusion tensor imaging and voxel based morphometry study in amyotrophic lateral sclerosis: relationships with motor disability

    OpenAIRE

    Thivard, Lionel; Pradat, Pierre‐François; Lehéricy, Stéphane; Lacomblez, Lucette; Dormont, Didier; Chiras, Jacques; Benali, Habib; Meininger, Vincent

    2007-01-01

    International audience; The aim of this study was to investigate the extent of cortical and subcortical lesions in amyotrophic lateral sclerosis (ALS) using, in combination, voxel based diffusion tensor imaging (DTI) and voxel based morphometry (VBM). We included 15 patients with definite or probable ALS and 25 healthy volunteers. Patients were assessed using the revised ALS Functional Rating Scale (ALSFRS-R). In patients, reduced fractional anisotropy was found in bilateral corticospinal tra...

  12. A tool for preparation of voxel phantoms. Potentialities for planning of neutron capture therapy

    International Nuclear Information System (INIS)

    Borisov, Nikolay; Khokhlov, Vyacheslav; Kulakov, Viktor; Sheino, Igor; Carlan, L. de; Franck, Didier

    2006-01-01

    The tremendous development of voxel phantom techniques for computations in nuclear medicine and hygiene during the past decade led to the creation of special software packages designed for automatic preparation of voxel phantoms for subsequent radiation transport calculations. The package OEDIPE, which facilitates the MCNP (X) calculations, was originally designed for internal irradiation dosimetry. However, its flexibility and universality makes it attractive for radiation therapy planning, too. (author)

  13. Brain metabolite alterations in Eisenmenger syndrome: Evaluation with MR proton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dokumacı, Dilek Şen, E-mail: dileksendokumaci@yahoo.com [Harran University School of Medicine, Department of Radiology, Sanliurfa (Turkey); Doğan, Ferit [Children Hospital, Department of Radiology, Sanliurfa (Turkey); Yıldırım, Ali [Children Hospital, Department of Pediatric Cardiology, Sanliurfa (Turkey); Boyacı, Fatıma Nurefşan; Bozdoğan, Erol [Harran University School of Medicine, Department of Radiology, Sanliurfa (Turkey); Koca, Bülent [Harran University School of Medicine, Department of Pediatric Cardiology, Sanliurfa (Turkey)

    2017-01-15

    Objective: Eisenmenger syndrome (ES) is a life-threatening disease characterized by pulmonary hypertension and cyanosis in patients with congenital heart diseases. The aim of this study was to determine the brain metabolite changes in Eisenmenger syndrome compared with a control group using MR proton spectroscopy. Methods and Materials: The study included 10 children (3 male, 7 female) with congenital heart diseases and a diagnosis of Eisenmenger syndrome. The control group consisted of 10 healthy volunteer children. All were examined with a 1.5 T MRI scanner and single voxel spectroscopy was performed to obtain spectra from three different regions; left frontal subcortical white matter, left lentiform nucleus and left thalamus. Peak integral values obtained from the spectra were used as quantitative data. Results: The ages of the children with ES were between 5 and 16 years, and between 5 and 15 years in the control group. Periventricular white matter hyperintensities were observed in 3 patients. On MR spectroscopy study, significantly lower levels of Choline metabolite (Cho) were detected in the frontal subcortical region and thalamus regions of the patients compared with the control group. There was no statistically significant difference between the levels of other metabolites (NAA, Cr, mI and Glx). In the lentiform nucleus, although the average value of Cho in ES patients was lower than that of the control group, it was not statistically significant. Conclusion: Cho metabolite was determined to have an important role in brain metabolism in Eisenmenger syndrome patients. Oral Cho treatment may help to extend survival.

  14. Brain metabolite alterations in Eisenmenger syndrome: Evaluation with MR proton spectroscopy

    International Nuclear Information System (INIS)

    Dokumacı, Dilek Şen; Doğan, Ferit; Yıldırım, Ali; Boyacı, Fatıma Nurefşan; Bozdoğan, Erol; Koca, Bülent

    2017-01-01

    Objective: Eisenmenger syndrome (ES) is a life-threatening disease characterized by pulmonary hypertension and cyanosis in patients with congenital heart diseases. The aim of this study was to determine the brain metabolite changes in Eisenmenger syndrome compared with a control group using MR proton spectroscopy. Methods and Materials: The study included 10 children (3 male, 7 female) with congenital heart diseases and a diagnosis of Eisenmenger syndrome. The control group consisted of 10 healthy volunteer children. All were examined with a 1.5 T MRI scanner and single voxel spectroscopy was performed to obtain spectra from three different regions; left frontal subcortical white matter, left lentiform nucleus and left thalamus. Peak integral values obtained from the spectra were used as quantitative data. Results: The ages of the children with ES were between 5 and 16 years, and between 5 and 15 years in the control group. Periventricular white matter hyperintensities were observed in 3 patients. On MR spectroscopy study, significantly lower levels of Choline metabolite (Cho) were detected in the frontal subcortical region and thalamus regions of the patients compared with the control group. There was no statistically significant difference between the levels of other metabolites (NAA, Cr, mI and Glx). In the lentiform nucleus, although the average value of Cho in ES patients was lower than that of the control group, it was not statistically significant. Conclusion: Cho metabolite was determined to have an important role in brain metabolism in Eisenmenger syndrome patients. Oral Cho treatment may help to extend survival.

  15. In vivo proton magnetic resonance spectroscopy of intraventricular tumours of the brain

    Energy Technology Data Exchange (ETDEWEB)

    Majos, Carles; Aguilera, Carles [Hospital Universitari de Bellvitge, Institut de Diagnostic per la Imatge (IDI). Centre Bellvitge, L' Hospitalet de Llobregat, Barcelona (Spain); Biomateriales y Nanomedicina (CIBER-BBN), Centro de Investigacion Biomedica en Red en Bioingenieria, Cerdanyola del Valles (Spain); Cos, Monica; Camins, Angels; Samitier, Alex; Castaner, Sara; Sanchez, Juan J. [Hospital Universitari de Bellvitge, Institut de Diagnostic per la Imatge (IDI). Centre Bellvitge, L' Hospitalet de Llobregat, Barcelona (Spain); Candiota, Ana P.; Delgado-Goni, Teresa [Biomateriales y Nanomedicina (CIBER-BBN), Centro de Investigacion Biomedica en Red en Bioingenieria, Cerdanyola del Valles (Spain); Unitat de Bioquimica de Biociencies, Department de Bioquimica i Biologia Molecular, Cerdanyola del Valles (Spain); Mato, David [Hospital Universitari de Bellvitge, Department of Neurosurgery, L' Hospitalet de Llobregat, Barcelona (Spain); Acebes, Juan J. [Hospital Universitari de Bellvitge, Department of Neurosurgery, L' Hospitalet de Llobregat, Barcelona (Spain); Biomateriales y Nanomedicina (CIBER-BBN), Centro de Investigacion Biomedica en Red en Bioingenieria, Cerdanyola del Valles (Spain); Arus, Carles [Unitat de Bioquimica de Biociencies, Department de Bioquimica i Biologia Molecular, Cerdanyola del Valles (Spain); Biomateriales y Nanomedicina (CIBER-BBN), Centro de Investigacion Biomedica en Red en Bioingenieria, Cerdanyola del Valles (Spain)

    2009-08-15

    The aim of this study was to assess the usefulness of proton MR spectroscopy in the diagnosis of intraventricular tumours. Fifty-two intraventricular tumours pertaining to 16 different tumour types were derived from our database. All cases had single-voxel proton MR spectroscopy performed at TE at both 30 and 136 ms at 1.5 T. The Mann-Whitney U test was used to search for the most discriminative datapoints each tumour type. Characteristic trends were found for some groups: high Glx and Ala in meningiomas (p<0.001 and p<0.01, respectively), high mobile lipids in metastasis (p<0.001), high Cho in PNET (p<0.001), high mI+Gly in ependymoma (p<0.001), high NAC (p<0.01) in the absence of the normal brain parenchyma pattern in colloid cysts, and high mI/Gly and Ala in central neurocytoma. Proton MR spectroscopy provides additional metabolic information that could be useful in the diagnosis of intraventricular brain tumors. (orig.)

  16. In vivo proton magnetic resonance spectroscopy of intraventricular tumours of the brain

    International Nuclear Information System (INIS)

    Majos, Carles; Aguilera, Carles; Cos, Monica; Camins, Angels; Samitier, Alex; Castaner, Sara; Sanchez, Juan J.; Candiota, Ana P.; Delgado-Goni, Teresa; Mato, David; Acebes, Juan J.; Arus, Carles

    2009-01-01

    The aim of this study was to assess the usefulness of proton MR spectroscopy in the diagnosis of intraventricular tumours. Fifty-two intraventricular tumours pertaining to 16 different tumour types were derived from our database. All cases had single-voxel proton MR spectroscopy performed at TE at both 30 and 136 ms at 1.5 T. The Mann-Whitney U test was used to search for the most discriminative datapoints each tumour type. Characteristic trends were found for some groups: high Glx and Ala in meningiomas (p<0.001 and p<0.01, respectively), high mobile lipids in metastasis (p<0.001), high Cho in PNET (p<0.001), high mI+Gly in ependymoma (p<0.001), high NAC (p<0.01) in the absence of the normal brain parenchyma pattern in colloid cysts, and high mI/Gly and Ala in central neurocytoma. Proton MR spectroscopy provides additional metabolic information that could be useful in the diagnosis of intraventricular brain tumors. (orig.)

  17. In vivo (1)H magnetic resonance spectroscopy of amniotic fluid and fetal lung at 1.5 T: technical challenges.

    Science.gov (United States)

    Kim, Dong-Hyun; Vahidi, Kiarash; Caughey, Aaron B; Coakley, Fergus V; Vigneron, Daniel B; Kurhanewicz, John; Mow, Ben; Joe, Bonnie N

    2008-10-01

    To identify the major technical challenges associated with in utero single-voxel proton spectroscopy of amniotic fluid and fetal lung and to evaluate the feasibility of performing in utero fetal spectroscopy for fetal lung maturity testing. Fetal magnetic resonance (MR) spectroscopy of amniotic fluid and fetal lung were performed at 1.5 T in 8 near-term pregnant women. Presence/absence of lactate and choline peaks was tabulated. Ex vivo spectra were obtained from amniotic fluid samples to investigate and refine sequence parameters. Spectroscopy failed in 3 of 8 cases due to maternal discomfort (n = 1) or fetal gastroschisis (n = 2). Both fetal motion and low signal-to-noise ratio were limiting factors for the remaining 5 clinical in vivo studies at 1.5 T. Ex vivo and in vivo studies suggested feasibility for detecting lactate from amniotic fluid within a reasonable clinical scan time (4-5 minutes). Lactate was detected in 3 of 5 patients. Choline detection was limited and was detected in 1 patient. Minor motion effects can be overcome but continuous fetal motion is problematic. Lactate detection seems clinically feasible, but choline detection requires additional technical development and, potentially, further imaging at a higher field strength because of the low signal-to-noise ratio at 1.5 T. (c) 2008 Wiley-Liss, Inc.

  18. In vivo proton MR spectroscopy of chorea-ballismus in diabetes mellitus

    Energy Technology Data Exchange (ETDEWEB)

    Lai, P.H.; Pan, H.B.; Yang, C.F.; Wu, M.T.; Chen, C.; Liang, H.L.; Chen, W.L. [Dept. of Radiology, Veterans General Hospital-Kaohsiung, National Yang-Ming College, Kaohsiung (Taiwan); Chen, P.C. [Dept. of Biomedical Engineering, I-Shou University, Kaohsiung (Taiwan); Chang, M.H.; Li, J.Y. [Dept. of Neurology, Veterans General Hospital-Kaohsiung, National Yang-Ming College, Kaohsiung (Taiwan)

    2001-07-01

    The most common cause of chorea-ballismus (CB) is a vascular lesion; it is also associated with nonketotic hyperglycaemia in diabetes mellitus (DM) and may be the first manifestation of this disorder. We describe the CT, MRI and proton MR spectroscopy ({sup 1}H-MRS) of CB in eight patients. Six had hemichorea-hemiballismus (HC-HB) and two bilateral CB. Single-voxel (SV) {sup 1}H-MRS was performed using point-resolved spectroscopy (PRESS). Voxels were positioned in the basal ganglia of the patients and control subjects. PRESS was also used to obtain spectroscopic imaging ({sup 1}H-MRSI) of the slice of interest in two patients. CT showed a slightly dense striatum in all the patients with CB, and T1-weighted images revealed high signal. The CB correlated well with the neuroimaging findings. SV {sup 1}H-MRS showed the mean ({+-} SD) N-acetylaspartate (NAA)/ creatine (Cr) ratio to be 1.45 {+-} 0.19 in HC-HB and 1.82 {+-} 0.06 on the opposite normal side (P = 0.01). The choline (Cho)/Cr ratio was 1.3 {+-} 0.12 in HC-HB and 1.11 {+-} 0.13 on the opposite normal side (P = 0.005). A lactate peak was seen in seven patients. The NAA/Cr ratio was 1.44 {+-} 0.15 in bilateral CB and 1.74 {+-} 0.16 in the controls (P = 0.017); the Cho/Cr ratios were 1.36 {+-} 0.1 and 1.19 {+-} 0.07 (P = 0.015). The low NAA/Cr suggests neuronal loss or damage and the high Cho/Cr probably indicates gliosis. The presence of lactate may suggest mild ischaemia due to acute vascular events during hyperglycaemia and underlying chronic focal cerebrovascular diseases in DM. (orig.)

  19. In vivo proton MR spectroscopy of chorea-ballismus in diabetes mellitus.

    Science.gov (United States)

    Lai, P H; Chen, P C; Chang, M H; Pan, H B; Yang, C F; Wu, M T; Li, J Y; Chen, C; Liang, H L; Chen, W L

    2001-07-01

    The most common cause of chorea-ballismus (CB) is a vascular lesion; it is also associated with nonketotic hyperglycaemia in diabetes mellitus (DM) and may be the first manifestation of this disorder. We describe the CT, MRI and proton MR spectroscopy (1H-MRS) of CB in eight patients. Six had hemichorea-hemiballismus (HC-HB) and two bilateral CB. Single-voxel (SV) 1H-MRS was performed using point-resolved spectroscopy (PRESS). Voxels were positioned in the basal ganglia of the patients and control subjects. PRESS was also used to obtain spectroscopic imaging (1H-MRSI) of the slice of interest in two patients. CT showed a slightly dense striatum in all the patients with CB, and T1-weighted images revealed high signal. The CB correlated well with the neuroimaging findings. SV 1H-MRS showed the mean (+/- SD) N-acetylaspartate (NAA)/ creatine (Cr) ratio to be 1.45 +/- 0.19 in HC-HB and 1.82 +/- 0.06 on the opposite normal side (P = 0.01). The choline (Cho)/ Cr ratio was 1.3 +/- 0.12 in HC-HB and 1.11 +/- 0.13 on the opposite normal side (P = 0.005). A lactate peak was seen in seven patients. The NAA/Cr ratio was 1.44 +/- 0.15 in bilateral CB and 1.74 +/- 0.16 in the controls (P = 0.017); the Cho/Cr ratios were 1.36 +/- 0.1 and 1.19 +/- 0.07 (P = 0.015). The low NAA/Cr suggests neuronal loss or damage and the high Cho/Cr probably indicates gliosis. The presence of lactate may suggest mild ischaemia due to acute vascular events during hyperglycaemia and underlying chronic focal cerebrovascular diseases in DM.

  20. Non-invasive assessment of hepatic fat accumulation in chronic hepatitis C by 1H magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Krssak, Martin; Hofer, Harald; Wrba, Fritz; Meyerspeer, Martin; Brehm, Attila; Lohninger, Alfred; Steindl-Munda, Petra; Moser, Ewald; Ferenci, Peter; Roden, Michael

    2010-01-01

    Background: Liver biopsy is the standard method for diagnosis of hepatic steatosis, but is invasive and carries some risk of morbidity. Aims and methods: Quantification of hepatocellular lipid content (HCL) with non-invasive single voxel 1 H magnetic resonance spectroscopy (MRS) at 3 T was compared with histological grading and biochemical analysis of liver biopsies in 29 patients with chronic hepatitis C. Body mass index, indices of insulin resistance (homeostasis model assessment index, HOMA-IR), serum lipids and serum liver transaminases were also quantified. Results: HCL as assessed by 1 H MRS linearly correlated (r = 0.70, p 1 H MRS (r = 0.63, p 1 H MRS is a valid and useful method for quantification of HCL content in patients with chronic hepatitis C and can be easily applied to non-invasively monitoring of steatosis during repeated follow-up measurements in a clinical setting.

  1. Filling factor and electronic structure of Dy3N@C-80 filled single-wall carbon nanotubes studied by photoemission spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Shiozawa, H.; Rauf, H.; Pichler, T.; Knupfer, M.; Kalbáč, Martin; Yang, S.; Dunsch, L.; Büchner, B.; Batchelor, D.; Kataura, H.

    2006-01-01

    Roč. 73, č. 20 (2006), 205411/1/-205411/6/ ISSN 1098-0121 Grant - others:Alexander von Humboldt Foundation(DE) DFG Pl 440/1/3 Institutional research plan: CEZ:AV0Z40400503 Keywords : high-energy spectroscopy * rare-earth-metals * charge-transfer * states Subject RIV: CG - Electrochemistry Impact factor: 3.107, year: 2006

  2. THz–IR spectroscopy of single H.sub.2./sub.O molecules confined in nanocage of beryl crystal lattice

    Czech Academy of Sciences Publication Activity Database

    Gorshunov, B. P.; Zhukova, E.S.; Torgashev, V. I.; Motovilova, E.A.; Lebedev, V.V.; Prokhorov, A. S.; Shakurov, G.S.; Kremer, R. K.; Uskov, V.V.; Pestrjakov, E.V.; Thomas, V.G.; Fursenko, D.A.; Kadlec, Christelle; Kadlec, Filip; Dressel, M.

    2014-01-01

    Roč. 87, 10-11 (2014), s. 966-972 ISSN 0141-1594 R&D Projects: GA ČR(CZ) GA14-25639S Institutional support: RVO:68378271 Keywords : terahertz spectroscopy * nano-confined water molecule Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.954, year: 2014

  3. Oriented single-crystal nuclear resonance vibrational spectroscopy of [Fe(TPP)(MI)(NO)]: quantitative assessment of the trans effect of NO.

    Science.gov (United States)

    Lehnert, Nicolai; Sage, J Timothy; Silvernail, Nathan; Scheidt, W Robert; Alp, E Ercan; Sturhahn, Wolfgang; Zhao, Jiyong

    2010-08-02

    This paper presents oriented single-crystal Nuclear Resonance Vibrational Spectroscopy (NRVS) data for the six-coordinate (6C) ferrous heme-nitrosyl model complex [(57)Fe(TPP)(MI)(NO)] (1; TPP(2-) = tetraphenylporphyrin dianion; MI = 1-methylimidazole). The availability of these data enables for the first time the detailed simulation of the complete NRVS data, including the porphyrin-based vibrations, of a 6C ferrous heme-nitrosyl, using our quantum chemistry centered normal coordinate analysis (QCC-NCA). Importantly, the Fe-NO stretch is split by interaction with a porphyrin-based vibration into two features, observed at 437 and 472 cm(-1). The 437 cm(-1) feature is strongly out-of-plane (oop) polarized and shows a (15)N(18)O isotope shift of 8 cm(-1) and is therefore assigned to nu(Fe-NO). The admixture of Fe-N-O bending character is small. Main contributions to the Fe-N-O bend are observed in the 520-580 cm(-1) region, distributed over a number of in-plane (ip) polarized porphyrin-based vibrations. The main component, assigned to delta(ip)(Fe-N-O), is identified with the feature at 563 cm(-1). The Fe-N-O bend also shows strong mixing with the Fe-NO stretching internal coordinate, as evidenced by the oop NRVS intensity in the 520-580 cm(-1) region. Very accurate normal mode descriptions of nu(Fe-NO) and delta(ip)(Fe-N-O) have been obtained in this study. These results contradict previous interpretations of the vibrational spectra of 6C ferrous heme-nitrosyls where the higher energy feature at approximately 550 cm(-1) had usually been associated with nu(Fe-NO). Furthermore, these results provide key insight into NO binding to ferrous heme active sites in globins and other heme proteins, in particular with respect to (a) the effect of hydrogen bonding to the coordinated NO and (b) changes in heme dynamics upon NO coordination. [Fe(TPP)(MI)(NO)] constitutes an excellent model system for ferrous NO adducts of myoglobin (Mb) mutants where the distal histidine (His64

  4. Voxel Based Morphometry Alterations in Mal de Debarquement Syndrome.

    Directory of Open Access Journals (Sweden)

    Yoon-Hee Cha

    Full Text Available Mal de debarquement syndrome (MdDS is a disorder of chronic self-motion perception that occurs though entrainment to rhythmic background motion, such as from sea voyage, and involves the perception of low-frequency rocking that can last for months or years. The neural basis of this persistent sensory perception abnormality is not well understood.We investigated grey matter volume differences underlying persistent MdDS by performing voxel-based morphometry on whole brain and pre-specified ROIs in 28 individuals with MdDS and comparing them to 18 age, sex, and handedness matched controls.MdDS participants exhibited greater grey matter volume in the left inferior parietal lobule, right inferior occipital gyrus (area V3v, right temporal pole, bilateral cerebellar hemispheric lobules VIII/IX and left lobule VIIa/VIIb. Grey matter volumes were lower in bilateral inferior frontal, orbitofrontal, pregenual anterior cingulate cortex (pgACC and left superior medial gyri (t = 3.0, p<0.005uncorr. In ROI analyses, there were no volume differences in the middle occipital gyrus (region of V5/MT or parietal operculum 2 (region of the parietoinsular vestibular cortex. Illness duration was positively related to grey matter volume in bilateral inferior frontal gyrus/anterior insula (IFG/AI, right posterior insula, superior parietal lobule, left middle occipital gyrus (V5/MT, bilateral postcentral gyrus, anterior cerebellum, and left cerebellar hemisphere and vermian lobule IX. In contrast, illness duration was negatively related to volume in pgACC, posterior middle cingulate gyrus (MCC, left middle frontal gyrus (dorsolateral prefrontal cortex-DLPFC, and right cerebellar hemispheric lobule VIIIb (t = 3.0, p<0.005uncorr. The most significant differences were decreased volume in the pgACC and increased volume in the left IFG/AI with longer illness duration (qFDRcorr <0.05. Concurrent medication use did not correlate with these findings or have a relationship with

  5. From single-site tantalum complexes to nanoparticles of TaxNy and TaOxNy supported on silica: elucidation of synthesis chemistry by dynamic nuclear polarization surface enhanced NMR spectroscopy and X-ray absorption spectroscopy

    KAUST Repository

    Mohandas, Janet Chakkamadathil

    2017-06-08

    Air-stable catalysts consisting of tantalum nitride nanoparticles represented as a mixture of TaxNy and TaOxNy with diameters in the range of 0.5 to 3 nm supported on highly dehydroxylated silica were synthesized from TaMe5 (Me = methyl) and dimeric Ta-2(OMe)(10) with guidance by the principles of surface organometallic chemistry (SOMC). Characterization of the supported precursors and the supported nanoparticles formed from them was carried out by IR, NMR, UV-Vis, extended X-ray absorption fine structure, and X-ray photoelectron spectroscopies complemented with XRD and high-resolution TEM, with dynamic nuclear polarization surface enhanced NMR spectroscopy being especially helpful by providing enhanced intensities of the signals of H-1, C-13, Si-29, and N-15 at their natural abundances. The characterization data provide details of the synthesis chemistry, including evidence of (a) O-2 insertion into Ta-CH3 species on the support and (b) a binuclear to mononuclear transformation of species formed from Ta-2(OMe)(10) on the support. A catalytic test reaction, cyclooctene epoxidation, was used to probe the supported nanoparticles, with 30% H2O2 serving as the oxidant. The catalysts gave selectivities up to 98% for the epoxide at conversions as high as 99% with a 3.4 wt% loading of Ta present as TaxNy/TaOxNy.

  6. Electronic structure of single crystal UPd{sub 3}, UGe{sub 2}, and USb{sub 2} from hard X-ray and angle-resolved photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beaux, M.F., E-mail: mbeaux@lanl.gov [MPA Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Durakiewicz, T. [MPA Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Moreschini, L.; Grioni, M. [IPN, Ecole Polytechnique Federale (EPFL), CH-1015 Lausanne (Switzerland); Offi, F. [CNISM and Dipartimento de Fisica, Universita Roma Tre, Via della Vasca Navale 84, 1-00146 Rome (Italy); Monaco, G. [European Synchrotron Radiation Facility, B.P. 220, F-38042 Grenoble (France); Panaccione, G. [Istituto Officina dei Materiali CNR, Laboratorio TASC, Area Science Park, Basovizza S.S. 14 Km 163.5, I-34012 Trieste, 9 (Italy); Joyce, J.J.; Bauer, E.D.; Sarrao, J.L. [MPA Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Butterfield, M.T. [KLA-Tencor, 1 Technology Drive, Milpitas, CA (United States); Guziewicz, E. [Institute of Physics, Polish Academy of Sciences, Warsaw (Poland)

    2011-11-15

    Highlights: {yields} Electronic structure of single crystal UPd{sub 3}, UGe{sub 2}, and USb{sub 2} was measured by hard X-ray and angle-resolved photoemission spectroscopy. {yields} Angle resolved photoemission results demonstrate hybridization between U 5f and Pd 4d electrons within UPd{sub 3}. {yields} HAXPES probing of bulk features within of UPd{sub 3}, UGe{sub 2}, and USb{sub 2} samples with native oxide contamination demonstrated. {yields} Two distinct spectral features identified for Sb I and Sb II sites within USb{sub 2} HAXPES spectrum. {yields} Line shape analysis reveals correlations between Doniach-Sunjic asymmetry coefficients and 5f localization. - Abstract: Electronic structure of single crystal UPd{sub 3}, UGe{sub 2}, and USb{sub 2} has been measured from hard X-ray photoelectron spectroscopy (HAXPES) with 7.6 keV photons at the European Synchrotron Radiation Facility (ESRF). Lower photon energy angle-resolved photoelectron spectroscopy (ARPES) was also performed at the Synchrotron Radiation Center (SRC). Herein the following results are presented: (i) ARPES results demonstrate hybridization between the U 5f and Pd 4d electrons within UPd{sub 3}. (ii) The greatly reduced surface sensitivity of HAXPES enabled observation of the bulk core levels in spite of surface oxidation. Photoelectron mean-free-path versus oxide layer thickness considerations were used to model the effectiveness of HAXPES for probing bulk features of in-air cleaved samples. (iii) Two distinct features separated by 800 meV were observed for the Sb 3d core level. These two features are attributed to manifestations of two distinct Sb sites within the USb{sub 2} single crystal as supported by consideration of interatomic distances and enthalpy-of-formation. (iv) Doniach-Sunjic line shape analysis of core level spectral features revealed correlations between asymmetry coefficients and 5f localization.

  7. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  8. A multicriteria framework with voxel-dependent parameters for radiotherapy treatment plan optimization

    International Nuclear Information System (INIS)

    Zarepisheh, Masoud; Uribe-Sanchez, Andres F.; Li, Nan; Jia, Xun; Jiang, Steve B.

    2014-01-01

    Purpose: To establish a new mathematical framework for radiotherapy treatment optimization with voxel-dependent optimization parameters. Methods: In the treatment plan optimization problem for radiotherapy, a clinically acceptable plan is usually generated by an optimization process with weighting factors or reference doses adjusted for a set of the objective functions associated to the organs. Recent discoveries indicate that adjusting parameters associated with each voxel may lead to better plan quality. However, it is still unclear regarding the mathematical reasons behind it. Furthermore, questions about the objective function selection and parameter adjustment to assure Pareto optimality as well as the relationship between the optimal solutions obtained from the organ-based and voxel-based models remain unanswered. To answer these questions, the authors establish in this work a new mathematical framework equipped with two theorems. Results: The new framework clarifies the different consequences of adjusting organ-dependent and voxel-dependent parameters for the treatment plan optimization of radiation therapy, as well as the impact of using different objective functions on plan qualities and Pareto surfaces. The main discoveries are threefold: (1) While in the organ-based model the selection of the objective function has an impact on the quality of the optimized plans, this is no longer an issue for the voxel-based model since the Pareto surface is independent of the objective function selection and the entire Pareto surface could be generated as long as the objective function satisfies certain mathematical conditions; (2) All Pareto solutions generated by the organ-based model with different objective functions are parts of a unique Pareto surface generated by the voxel-based model with any appropriate objective function; (3) A much larger Pareto surface is explored by adjusting voxel-dependent parameters than by adjusting organ-dependent parameters, possibly

  9. A multicriteria framework with voxel-dependent parameters for radiotherapy treatment plan optimization.

    Science.gov (United States)

    Zarepisheh, Masoud; Uribe-Sanchez, Andres F; Li, Nan; Jia, Xun; Jiang, Steve B

    2014-04-01

    To establish a new mathematical framework for radiotherapy treatment optimization with voxel-dependent optimization parameters. In the treatment plan optimization problem for radiotherapy, a clinically acceptable plan is usually generated by an optimization process with weighting factors or reference doses adjusted for a set of the objective functions associated to the organs. Recent discoveries indicate that adjusting parameters associated with each voxel may lead to better plan quality. However, it is still unclear regarding the mathematical reasons behind it. Furthermore, questions about the objective function selection and parameter adjustment to assure Pareto optimality as well as the relationship between the optimal solutions obtained from the organ-based and voxel-based models remain unanswered. To answer these questions, the authors establish in this work a new mathematical framework equipped with two theorems. The new framework clarifies the different consequences of adjusting organ-dependent and voxel-dependent parameters for the treatment plan optimization of radiation therapy, as well as the impact of using different objective functions on plan qualities and Pareto surfaces. The main discoveries are threefold: (1) While in the organ-based model the selection of the objective function has an impact on the quality of the optimized plans, this is no longer an issue for the voxel-based model since the Pareto surface is independent of the objective function selection and the entire Pareto surface could be generated as long as the objective function satisfies certain mathematical conditions; (2) All Pareto solutions generated by the organ-based model with different objective functions are parts of a unique Pareto surface generated by the voxel-based model with any appropriate objective function; (3) A much larger Pareto surface is explored by adjusting voxel-dependent parameters than by adjusting organ-dependent parameters, possibly allowing for the

  10. Octree indexing of DICOM images for voxel number reduction and improvement of Monte Carlo simulation computing efficiency

    International Nuclear Information System (INIS)

    Hubert-Tremblay, Vincent; Archambault, Louis; Tubic, Dragan; Roy, Rene; Beaulieu, Luc

    2006-01-01

    The purpose of the present study is to introduce a compression algorithm for the CT (computed tomography) data used in Monte Carlo simulations. Performing simulations on the CT data implies large computational costs as well as large memory requirements since the number of voxels in such data reaches typically into hundreds of millions voxels. CT data, however, contain homogeneous regions which could be regrouped to form larger voxels without affecting the simulation's accuracy. Based on this property we propose a compression algorithm based on octrees: in homogeneous regions the algorithm replaces groups of voxels with a smaller number of larger voxels. This reduces the number of voxels while keeping the critical high-density gradient area. Results obtained using the present algorithm on both phantom and clinical data show that compression rates up to 75% are possible without losing the dosimetric accuracy of the simulation

  11. Medical images of patients in voxel structures in high resolution for Monte Carlo simulation

    International Nuclear Information System (INIS)

    Boia, Leonardo S.; Menezes, Artur F.; Silva, Ademir X.

    2011-01-01

    This work aims to present a computational process of conversion of tomographic and MRI medical images from patients in voxel structures to an input file, which will be manipulated in Monte Carlo Simulation code for tumor's radiotherapic treatments. The problem's scenario inherent to the patient is simulated by such process, using the volume element (voxel) as a unit of computational tracing. The head's voxel structure geometry has voxels with volumetric dimensions around 1 mm 3 and a population of millions, which helps - in that way, for a realistic simulation and a decrease in image's digital process techniques for adjustments and equalizations. With such additional data from the code, a more critical analysis can be developed in order to determine the volume of the tumor, and the protection, beside the patients' medical images were borrowed by Clinicas Oncologicas Integradas (COI/RJ), joined to the previous performed planning. In order to execute this computational process, SAPDI computational system is used in a digital image process for optimization of data, conversion program Scan2MCNP, which manipulates, processes, and converts the medical images into voxel structures to input files and the graphic visualizer Moritz for the verification of image's geometry placing. (author)

  12. Construction of Korean adult male voxel phantom and calculation of dose conversion coefficients

    International Nuclear Information System (INIS)

    Lee, C. S.; Lee, J. K.

    2002-01-01

    Korean adult male voxel phantom were constructed by processing whole-body MR images of healthy volunteer who belongs to middle group of Korean male in height and weight. Organs and tissues on tomographic images were manually segmented and indexed using a graphic digitizer. Due to limited resolution of the raw MR images, voxels of rather large size, 2mmx2mmx10mm were used. The resulting voxel phantom was named KRMAN. The air kerma-to-organ equivalent doses and effective doses conversion coefficients were evaluated for phantom in broad parallel photon fields of different energies and directions and were compared to corresponding values given in ICRP 74 which were derived with the MIRD-type phantoms. No significant deviations between MIRD and voxel phantoms were found in the effective doses. Significant differences up to around factor of 2, however, were observed in organ equivalent doses for some organs including stomach, thyroid, testes depending on the photon energy and the irradiation direction. These are caused by difference in trunk thickness between MIRD-type phantom and Korean voxel phantom, and differences of organ positions in the body

  13. Medical images of patients in voxel structures in high resolution for Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Boia, Leonardo S.; Menezes, Artur F.; Silva, Ademir X., E-mail: lboia@con.ufrj.b, E-mail: ademir@con.ufrj.b [Universidade Federal do Rio de Janeiro (PEN/COPPE/UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-Graduacao de Engenharia. Programa de Engenharia Nuclear; Salmon Junior, Helio A. [Clinicas Oncologicas Integradas (COI), Rio de Janeiro, RJ (Brazil)

    2011-07-01

    This work aims to present a computational process of conversion of tomographic and MRI medical images from patients in voxel structures to an input file, which will be manipulated in Monte Carlo Simulation code for tumor's radiotherapic treatments. The problem's scenario inherent to the patient is simulated by such process, using the volume element (voxel) as a unit of computational tracing. The head's voxel structure geometry has voxels with volumetric dimensions around 1 mm{sup 3} and a population of millions, which helps - in that way, for a realistic simulation and a decrease in image's digital process techniques for adjustments and equalizations. With such additional data from the code, a more critical analysis can be developed in order to determine the volume of the tumor, and the protection, beside the patients' medical images were borrowed by Clinicas Oncologicas Integradas (COI/RJ), joined to the previous performed planning. In order to execute this computational process, SAPDI computational system is used in a digital image process for optimization of data, conversion program Scan2MCNP, which manipulates, processes, and converts the medical images into voxel structures to input files and the graphic visualizer Moritz for the verification of image's geometry placing. (author)

  14. A visual LISP program for voxelizing AutoCAD solid models

    Science.gov (United States)

    Marschallinger, Robert; Jandrisevits, Carmen; Zobl, Fritz

    2015-01-01

    AutoCAD solid models are increasingly recognized in geological and geotechnical 3D modeling. In order to bridge the currently existing gap between AutoCAD solid models and the grid modeling realm, a Visual LISP program is presented that converts AutoCAD solid models into voxel arrays. Acad2Vox voxelizer works on a 3D-model that is made up of arbitrary non-overlapping 3D-solids. After definition of the target voxel array geometry, 3D-solids are scanned at grid positions and properties are streamed to an ASCII output file. Acad2Vox has a novel voxelization strategy that combines a hierarchical reduction of sampling dimensionality with an innovative use of AutoCAD-specific methods for a fast and memory-saving operation. Acad2Vox provides georeferenced, voxelized analogs of 3D design data that can act as regions-of-interest in later geostatistical modeling and simulation. The Supplement includes sample geological solid models with instructions for practical work with Acad2Vox.

  15. Broad-band dielectric spectroscopy of Ba.sub.2./sub.NaNb.sub.5./sub.O.sub.15./sub. single crystal

    Czech Academy of Sciences Publication Activity Database

    Buixaderas, Elena; Porokhonskyy, Viktor; Pashkin, Alexej; Savinov, Maxim; Petzelt, Jan

    2002-01-01

    Roč. 30, - (2002), s. 319-329 ISSN 1434-6028 R&D Projects: GA ČR GA202/01/0612; GA AV ČR IAA1010213 Institutional research plan: CEZ:AV0Z1010914 Keywords : incommensurate ferroelectrics * IR and time-domain THz spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.741, year: 2002

  16. Right Brodmann area 18 predicts tremor arrest after Vim radiosurgery: a voxel-based morphometry study.

    Science.gov (United States)

    Tuleasca, Constantin; Witjas, Tatiana; Van de Ville, Dimitri; Najdenovska, Elena; Verger, Antoine; Girard, Nadine; Champoudry, Jerome; Thiran, Jean-Philippe; Cuadra, Meritxell Bach; Levivier, Marc; Guedj, Eric; Régis, Jean

    2018-03-01

    Drug-resistant essential tremor (ET) can benefit from open standard stereotactic procedures, such as deep-brain stimulation or radiofrequency thalamotomy. Non-surgical candidates can be offered either high-focused ultrasound (HIFU) or radiosurgery (RS). All procedures aim to target the same thalamic site, the ventro-intermediate nucleus (e.g., Vim). The mechanisms by which tremor stops after Vim RS or HIFU remain unknown. We used voxel-based morphometry (VBM) on pretherapeutic neuroimaging data and assessed which anatomical site would best correlate with tremor arrest 1 year after Vim RS. Fifty-two patients (30 male, 22 female; mean age 71.6 years, range 49-82) with right-sided ET benefited from left unilateral Vim RS in Marseille, France. Targeting was performed in a uniform manner, using 130 Gy and a single 4-mm collimator. Neurological (pretherapeutic and 1 year after) and neuroimaging (baseline) assessments were completed. Tremor score on the treated hand (TSTH) at 1 year after Vim RS was included in a statistical parametric mapping analysis of variance (ANOVA) model as a continuous variable with pretherapeutic neuroimaging data. Pretherapeutic gray matter density (GMD) was further correlated with TSTH improvement. No a priori hypothesis was used in the statistical model. The only statistically significant region was right Brodmann area (BA) 18 (visual association area V2, p = 0.05, cluster size K c  = 71). Higher baseline GMD correlated with better TSTH improvement at 1 year after Vim RS (Spearman's rank correlation coefficient = 0.002). Routine baseline structural neuroimaging predicts TSTH improvement 1 year after Vim RS. The relevant anatomical area is the right visual association cortex (BA 18, V2). The question whether visual areas should be included in the targeting remains open.

  17. Terahertz spectroscopy

    DEFF Research Database (Denmark)

    Jepsen, Peter Uhd

    2009-01-01

    In this presentation I will review methods for spectroscopy in the THz range, with special emphasis on the practical implementation of the technique known ad THz time-domain spectroscopy (THz-TDS). THz-TDS has revived the old field of far-infrared spectroscopy, and enabled a wealth of new...... activities that promise commercial potential for spectroscopic applications in the THz range. This will be illustrated with examples of spectroscopy of liquids inside their bottles as well as sensitive, quantitative spectroscopy in waveguides....

  18. The effect of voxel size on the measurement of mandibular thickness in cone-beam computed tomography

    Directory of Open Access Journals (Sweden)

    Ehsan Hekmatian

    2014-01-01

    Full Text Available Background: Cone-beam computed tomography (CBCT is a new imaging technology that has been widely used in implantology, oral and maxillofacial surgery and orthodontics. This method provides 3-D images that are composed of voxel, which is the smallest image unit, and determines image resolution. Smaller voxel is associated with the higher resolution and also greater radiation exposure. This study was aimed to find out the effect of voxel size on the measurement of mandibular thickness. Materials and Methods: Using voxel sizes of 0.30 mm and 0.15 mm, two CBCT protocols (protocol 1: Field of view (FOV of 15 cm, 85 kVp, 42 mAs, 0.15 mm voxel, 14 s scan time; protocol 2: FOV of 15 cm, 85 kVp, 10 mAs, 0.30 mm voxel, 14 s scan time were carried out on 16 dry human mandibles with permanent dentition. Mandibular thickness was measured at seven different sites (midline region, bilateral canine regions, bilateral mental foramen regions and bilateral molar regions. Analysis of variance was used for analysis of data using the Statistical Package for the Social Sciences version 20 (SPSS Inc., Chicago, IL, USA. P 0.05. Conclusion: Considering the insignificant differences of the mandibular thickness measurements using different voxel sizes, it would be more reasonable to use 0.30 mm voxel size instead of 0.15 mm voxel size to avoid unnecessary radiation exposure.

  19. Calculation of the counting efficiency for 137Cs using voxel phantoms with lungs and a skeleton

    International Nuclear Information System (INIS)

    Ishikawa, T.; Uchiyama, M.

    1997-01-01

    Calibration of whole-body counters for 137 Cs is generally conducted with physical phantoms which are uniformly filled with 137 Cs solutions. To check the conventional calibration, two types of mathematical voxel phantoms were prepared; the phantom with uniform density and that with lungs and a skeleton. Five different sizes, from newborn to adult were prepared for each type of the voxel phantoms. As for a whole-body counter at NIRS (Japan), counting efficiencies for these voxel phantoms were calculated using a Monte Carlo simulation code. The counting efficiency for the phantom with the lungs and skeleton was larger than that for the uniform density phantom for each size. The difference of counting efficiency ranged from 3 to 5% for five sizes. For the adult, it was about 5%. This indicates that the conventional calibration phantoms, assuming uniform activity distribution and uniform density, were acceptable for 137 Cs whole-body counting. (author)

  20. Increasing power for voxel-wise genome-wide association studies: The random field theory, least square kernel machines and fast permutation procedures

    Science.gov (United States)

    Ge, Tian; Feng, Jianfeng; Hibar, Derrek P.; Thompson, Paul M.; Nichols, Thomas E.

    2013-01-01

    Imaging traits are thought to have more direct links to genetic variation than diagnostic measures based on cognitive or clinical assessments and provide a powerful substrate to examine the influence of genetics on human brains. Although imaging genetics has attracted growing attention and interest, most brain-wide genome-wide association studies focus on voxel-wise single-locus approaches, without taking advantage of the spatial information in images or combining the effect of multiple genetic variants. In this paper we present a fast implementation of voxel- and cluster-wise inferences based on the random field theory to fully use the spatial information in images. The approach is combined with a multi-locus model based on least square kernel machines to associate the joint effect of several single nucleotide polymorphisms (SNP) with imaging traits. A fast permutation procedure is also proposed which significantly reduces the number of permutations needed relative to the standard empirical method and provides accurate small p-value estimates based on parametric tail approximation. We explored the relation between 448,294 single nucleotide polymorphisms and 18,043 genes in 31,662 voxels of the entire brain across 740 elderly subjects from the Alzheimer's Disease Neuroimaging Initiative (ADNI). Structural MRI scans were analyzed using tensor-based morphometry (TBM) to compute 3D maps of regional brain volume differences compared to an average template image based on healthy elderly subjects. We find method to be more sensitive compared with voxel-wise single-locus approaches. A number of genes were identified as having significant associations with volumetric changes. The most associated gene was GRIN2B, which encodes the N-methyl-d-aspartate (NMDA) glutamate receptor NR2B subunit and affects both the parietal and temporal lobes in human brains. Its role in Alzheimer's disease has been widely acknowledged and studied, suggesting the validity of the approach. The

  1. New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications.

    Science.gov (United States)

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-07

    Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes.

  2. Voxel size dependency, reproducibility and sensitivity of an in vivo bone loading estimation algorithm.

    Science.gov (United States)

    Christen, Patrik; Schulte, Friederike A; Zwahlen, Alexander; van Rietbergen, Bert; Boutroy, Stephanie; Melton, L Joseph; Amin, Shreyasee; Khosla, Sundeep; Goldhahn, Jörg; Müller, Ralph

    2016-01-01

    A bone loading estimation algorithm was previously developed that provides in vivo loading conditions required for in vivo bone remodelling simulations. The algorithm derives a bone's loading history from its microstructure as assessed by high-resolution (HR) computed tomography (CT). This reverse engineering approach showed accurate and realistic results based on micro-CT and HR-peripheral quantitative CT images. However, its voxel size dependency, reproducibility and sensitivity still need to be investigated, which is the purpose of this study. Voxel size dependency was tested on cadaveric distal radii with micro-CT images scanned at 25 µm and downscaled to 50, 61, 75, 82, 100, 125 and 150 µm. Reproducibility was calculated with repeated in vitro as well as in vivo HR-pQCT measurements at 82 µm. Sensitivity was defined using HR-pQCT images from women with fracture versus non-fracture, and low versus high bone volume fraction, expecting similar and different loading histories, respectively. Our results indicate that the algorithm is voxel size independent within an average (maximum) error of 8.2% (32.9%) at 61 µm, but that the dependency increases considerably at voxel sizes bigger than 82 µm. In vitro and in vivo reproducibility are up to 4.5% and 10.2%, respectively, which is comparable to other in vitro studies and slightly higher than in other in vivo studies. Subjects with different bone volume fraction were clearly distinguished but not subjects with and without fracture. This is in agreement with bone adapting to customary loading but not to fall loads. We conclude that the in vivo bone loading estimation algorithm provides reproducible, sensitive and fairly voxel size independent results at up to 82 µm, but that smaller voxel sizes would be advantageous. © 2016 The Author(s).

  3. Mass Spectroscopy/Mass Spectroscopy Method for Quantitative ...

    African Journals Online (AJOL)

    Purpose: To determine naproxen levels in human plasma using a new liquid chromatography-Mass spectroscopy/Mass spectroscopy (LC-MS/MS) method that involves a simple and single step extraction procedure using low-cost reagents. Method: A novel liquid chromatography.tandem mass spectrometry method for the ...

  4. Luminescence spectroscopy of the Bi.sup.3+./sup. single and dimer centers in Y.sub.3./sub.Al.sub.5./sub.O.sub.12./sub.:Bi single crystalline films

    Czech Academy of Sciences Publication Activity Database

    Zorenko, Y.; Gorbenko, V.; Voznyak, T.; Jarý, Vítězslav; Nikl, Martin

    2010-01-01

    Roč. 130, č. 10 (2010), 1963-1969 ISSN 0022-2313 R&D Projects: GA ČR GA202/08/0893 Institutional research plan: CEZ:AV0Z10100521 Keywords : YAG * single crystalline films * Bi 3+ luminescence * single and dimer centers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.795, year: 2010

  5. High performance cone-beam spiral backprojection with voxel-specific weighting

    International Nuclear Information System (INIS)

    Steckmann, Sven; Knaup, Michael; Kachelriess, Marc

    2009-01-01

    Cone-beam spiral backprojection is computationally highly demanding. At first sight, the backprojection requirements are similar to those of cone-beam backprojection from circular scans such as it is performed in the widely used Feldkamp algorithm. However, there is an additional complication: the illumination of each voxel, i.e. the range of angles the voxel is seen by the x-ray cone, is a complex function of the voxel position. In general, one needs to multiply a voxel-specific weight w(x, y, z, α) prior to adding a projection from angle α to a voxel at position x, y, z. Often, the weight function has no analytically closed form and must be numerically determined. Storage of the weights is prohibitive since the amount of memory required equals the number of voxels per spiral rotation times the number of projections a voxel receives contributions and therefore is in the order of up to 10 12 floating point values for typical spiral scans. We propose a new algorithm that combines the spiral symmetry with the ability of today's 64 bit operating systems to store large amounts of precomputed weights, even above the 4 GB limit. Our trick is to backproject into slices that are rotated in the same manner as the spiral trajectory rotates. Using the spiral symmetry in this way allows one to exploit data-level paralellism and thereby to achieve a very high level of vectorization. An additional postprocessing step rotates these slices back to normal images. Our new backprojection algorithm achieves up to 17 giga voxel updates per second on our systems that are equipped with four standard Intel X7460 hexa core CPUs (Intel Xeon 7300 platform, 2.66 GHz, Intel Corporation). This equals the reconstruction of 344 images per second assuming that each slice consists of 512 x 512 pixels and receives contributions from 512 projections. Thereby, it is an order of magnitude faster than a highly optimized code that does not make use of the spiral symmetry. In its present version, the

  6. High performance cone-beam spiral backprojection with voxel-specific weighting

    Science.gov (United States)

    Steckmann, Sven; Knaup, Michael; Kachelrieß, Marc

    2009-06-01

    Cone-beam spiral backprojection is computationally highly demanding. At first sight, the backprojection requirements are similar to those of cone-beam backprojection from circular scans such as it is performed in the widely used Feldkamp algorithm. However, there is an additional complication: the illumination of each voxel, i.e. the range of angles the voxel is seen by the x-ray cone, is a complex function of the voxel position. In general, one needs to multiply a voxel-specific weight w(x, y, z, α) prior to adding a projection from angle α to a voxel at position x, y, z. Often, the weight function has no analytically closed form and must be numerically determined. Storage of the weights is prohibitive since the amount of memory required equals the number of voxels per spiral rotation times the number of projections a voxel receives contributions and therefore is in the order of up to 1012 floating point values for typical spiral scans. We propose a new algorithm that combines the spiral symmetry with the ability of today's 64 bit operating systems to store large amounts of precomputed weights, even above the 4 GB limit. Our trick is to backproject into slices that are rotated in the same manner as the spiral trajectory rotates. Using the spiral symmetry in this way allows one to exploit data-level paralellism and thereby to achieve a very high level of vectorization. An additional postprocessing step rotates these slices back to normal images. Our new backprojection algorithm achieves up to 17 giga voxel updates per second on our systems that are equipped with four standard Intel X7460 hexa core CPUs (Intel Xeon 7300 platform, 2.66 GHz, Intel Corporation). This equals the reconstruction of 344 images per second assuming that each slice consists of 512 × 512 pixels and receives contributions from 512 projections. Thereby, it is an order of magnitude faster than a highly optimized code that does not make use of the spiral symmetry. In its present version, the

  7. Effective and equivalent doses for CT head examinations calculated using the voxelized phantoms MASH and FASH

    Science.gov (United States)

    Ferreira, C. C.; Folly, W. S. D.; Vieira, J. W.; Maia, A. F.

    2011-09-01

    The voxelized phantoms MASH and FASH have been used for calculating conversion coefficients (CCs) for a specific CT head examination performed in a specific Toshiba CT scanner. The X-ray spectrum was selected according to the concordance between the calculated C 100,c and measured C 100,c. For 120 kV, the X-raytbc code presented the smaller deviation, equal to -7.11%. Finally, effective doses calculated for the voxelized phantoms MASH and FASH were 6.1 and 4.5, respectively, smaller than the effective dose obtained though the European guidelines on quality criteria for computed tomography.

  8. Automating the segmentation of medical images for the production of voxel tomographic computational models

    International Nuclear Information System (INIS)

    Caon, M.

    2001-01-01

    Radiation dosimetry for the diagnostic medical imaging procedures performed on humans requires anatomically accurate, computational models. These may be constructed from medical images as voxel-based tomographic models. However, they are time consuming to produce and as a consequence, there are few available. This paper discusses the emergence of semi-automatic segmentation techniques and describes an application (iRAD) written in Microsoft Visual Basic that allows the bitmap of a medical image to be segmented interactively and semi-automatically while displayed in Microsoft Excel. iRAD will decrease the time required to construct voxel models. Copyright (2001) Australasian College of Physical Scientists and Engineers in Medicine

  9. Visual stimulation, H-1 MR spectroscopy and fMRI of the human visual pathways

    NARCIS (Netherlands)

    Boucard, CC; Mostert, JP; Cornelissen, FW; De Keyser, J; Oudkerk, M; Sijens, PE

    The purpose was to assess changes in lactate content and other brain metabolites under visual stimulation in optical chiasm, optic radiations and occipital cortex using multiple voxel MR spectroscopy (MRS). H-1 chemical shift imaging (CSI) examinations of transverse planes centered to include the

  10. X-Ray Spectroscopy of Ultra-Thin Oxide/Oxide Heteroepitaxial Films: A Case Study of Single-Nanometer VO2/TiO2

    Directory of Open Access Journals (Sweden)

    Nicholas F. Quackenbush

    2015-08-01

    Full Text Available Epitaxial ultra-thin oxide films can support large percent level strains well beyond their bulk counterparts, thereby enabling strain-engineering in oxides that can tailor various phenomena. At these reduced dimensions (typically < 10 nm, contributions from the substrate can dwarf the signal from the epilayer, making it difficult to distinguish the properties of the epilayer from the bulk. This is especially true for oxide on oxide systems. Here, we have employed a combination of hard X-ray photoelectron spectroscopy (HAXPES and angular soft X-ray absorption spectroscopy (XAS to study epitaxial VO2/TiO2 (100 films ranging from 7.5 to 1 nm. We observe a low-temperature (300 K insulating phase with evidence of vanadium-vanadium (V-V dimers and a high-temperature (400 K metallic phase absent of V-V dimers irrespective of film thickness. Our results confirm that the metal insulator transition can exist at atomic dimensions and that biaxial strain can still be used to control the temperature of its transition when the interfaces are atomically sharp. More generally, our case study highlights the benefits of using non-destructive XAS and HAXPES to extract out information regarding the interfacial quality of the epilayers and spectroscopic signatures associated with exotic phenomena at these dimensions.

  11. Polarized X-ray absorption spectroscopy of single-crystal Mn(V) complexes relevant to the oxygen-evolving complex of photosystem II

    DEFF Research Database (Denmark)

    Yano, Junko; Robblee, John; Pushkar, Yulia

    2007-01-01

    High-valent Mn-oxo species have been suggested to have a catalytically important role in the water splitting reaction which occurs in the Photosystem II membrane protein. In this study, five- and six-coordinate mononuclear Mn(V) compounds were investigated by polarized X-ray absorption spectroscopy...... structure of the metal site was then studied by measuring the polarization dependence of X-ray absorption near-edge spectroscopy (XANES) pre-edge