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Sample records for correlation spectroscopy analysis

  1. Correlation Spectroscopy of Minor Species: Signal Purification and Distribution Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Laurence, T A; Kwon, Y; Yin, E; Hollars, C; Camarero, J A; Barsky, D

    2006-06-21

    We are performing experiments that use fluorescence resonance energy transfer (FRET) and fluorescence correlation spectroscopy (FCS) to monitor the movement of an individual donor-labeled sliding clamp protein molecule along acceptor-labeled DNA. In addition to the FRET signal sought from the sliding clamp-DNA complexes, the detection channel for FRET contains undesirable signal from free sliding clamp and free DNA. When multiple fluorescent species contribute to a correlation signal, it is difficult or impossible to distinguish between contributions from individual species. As a remedy, we introduce ''purified FCS'' (PFCS), which uses single molecule burst analysis to select a species of interest and extract the correlation signal for further analysis. We show that by expanding the correlation region around a burst, the correlated signal is retained and the functional forms of FCS fitting equations remain valid. We demonstrate the use of PFCS in experiments with DNA sliding clamps. We also introduce ''single molecule FCS'', which obtains diffusion time estimates for each burst using expanded correlation regions. By monitoring the detachment of weakly-bound 30-mer DNA oligomers from a single-stranded DNA plasmid, we show that single molecule FCS can distinguish between bursts from species that differ by a factor of 5 in diffusion constant.

  2. Fluorescence correlation spectroscopy: Statistical analysis and biological applications

    Science.gov (United States)

    Saffarian, Saveez

    2002-01-01

    The experimental design and realization of an apparatus which can be used both for single molecule fluorescence detection and also fluorescence correlation and cross correlation spectroscopy is presented. A thorough statistical analysis of the fluorescence correlation functions including the analysis of bias and errors based on analytical derivations has been carried out. Using the methods developed here, the mechanism of binding and cleavage site recognition of matrix metalloproteinases (MMP) for their substrates has been studied. We demonstrate that two of the MMP family members, Collagenase (MMP-1) and Gelatinase A (MMP-2) exhibit diffusion along their substrates, the importance of this diffusion process and its biological implications are discussed. We show through truncation mutants that the hemopexin domain of the MMP-2 plays and important role in the substrate diffusion of this enzyme. Single molecule diffusion of the collagenase MMP-1 has been observed on collagen fibrils and shown to be biased. The discovered biased diffusion would make the MMP-1 molecule an active motor, thus making it the first active motor that is not coupled to ATP hydrolysis. The possible sources of energy for this enzyme and their implications are discussed. We propose that a possible source of energy for the enzyme can be in the rearrangement of the structure of collagen fibrils. In a separate application, using the methods developed here, we have observed an intermediate in the intestinal fatty acid binding protein folding process through the changes in its hydrodynamic radius also the fluctuations in the structure of the IFABP in solution were measured using FCS.

  3. Cross Correlation Analysis of Multi-Channel Near Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    Raul Fernandez Rojas

    2016-02-01

    Full Text Available In this paper we present the use of a signal proces sing technique to find dominant channels in near infrared spectroscopy (NIRS. Cross correlatio n is computed to compare measuring channels and identify delays among the channels. In addition, visual inspection was used to detect potential dominant channels. The results sho wed that the visual analysis exposed pain- related activations in the primary somatosensory co rtex (S1 after stimulation which is consistent with similar studies and the cross corre lation analysis found dominant channels on both cerebral hemispheres. The analysis also showed a relationship between dominant channels and neighbouring channels. Therefore, our results p resent a new method to detect dominant regions in the cerebral cortex using near-infrared spectroscopy. These results have also implications in the reduction of number of channels by eliminating irrelevant channels for the experiment

  4. Calculation and optimization of sample identification by laser induced breakdown spectroscopy via correlation analysis

    NARCIS (Netherlands)

    Lentjes, M.; Dickmann, K.; Meijer, J.

    2007-01-01

    Linear correlation analysis may be used as a technique for the identification of samples with a very similar chemical composition by laser induced breakdown spectroscopy. The spectrum of the “unknown” sample is correlated with a library of reference spectra. The probability of identification by

  5. Variable angle correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y K [Univ. of California, Berkeley, CA (United States)

    1994-05-01

    In this dissertation, a novel nuclear magnetic resonance (NMR) technique, variable angle correlation spectroscopy (VACSY) is described and demonstrated with {sup 13}C nuclei in rapidly rotating samples. These experiments focus on one of the basic problems in solid state NMR: how to extract the wealth of information contained in the anisotropic component of the NMR signal while still maintaining spectral resolution. Analysis of the anisotropic spectral patterns from poly-crystalline systems reveal information concerning molecular structure and dynamics, yet in all but the simplest of systems, the overlap of spectral patterns from chemically distinct sites renders the spectral analysis difficult if not impossible. One solution to this problem is to perform multi-dimensional experiments where the high-resolution, isotropic spectrum in one dimension is correlated with the anisotropic spectral patterns in the other dimensions. The VACSY technique incorporates the angle between the spinner axis and the static magnetic field as an experimental parameter that may be incremented during the course of the experiment to help correlate the isotropic and anisotropic components of the spectrum. The two-dimensional version of the VACSY experiments is used to extract the chemical shift anisotropy tensor values from multi-site organic molecules, study molecular dynamics in the intermediate time regime, and to examine the ordering properties of partially oriented samples. The VACSY technique is then extended to three-dimensional experiments to study slow molecular reorientations in a multi-site polymer system.

  6. Structure analysis of aromatic medicines containing nitrogen using near-infrared spectroscopy and generalized two-dimensional correlation spectroscopy

    Science.gov (United States)

    Liu, Hao; Gao, Hongbin; Qu, Lingbo; Huang, Yanping; Xiang, Bingren

    2008-12-01

    Four aromatic medicines (acetaminophen; niacinamide; p-aminophenol; nicotinic acid) containing nitrogen were investigated by FT-NIR (Fourier transform near-infrared) spectroscopy and generalized two-dimensional (2D) correlation spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-130 °C. By combining near-infrared spectroscopy, generalized 2D correlation spectroscopy and references, the molecular structures (especially the hydrogen bond related with nitrogen) were analyzed and the NIR band assignments were performed. The results will be helpful to the understanding of aromatic medicines containing nitrogen and the utility of these substances.

  7. Generalized two-dimensional correlation near-infrared spectroscopy and principal component analysis of the structures of methanol and ethanol

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Liquid state methanol and ethanol under different temperatures have been investigated by FT-NIR(Fourier transform nearinfrared) spectroscopy,generalized two-dimensional(2D) correlation spectroscopy,and PCA(principal component analysis) . First,the FT-NIR spectra were measured over a temperature range of 30-64(or 30-71) °C,and then the 2D correlation spectra were computed.Combining near-infrared spectroscopy,generalized 2D correlation spectroscopy,and references,we analyzed the molecular structures(especially the hydrogen bond) of methanol and ethanol,and performed the NIR band assignments. The PCA method was employed to verify the results of the 2D analysis.This study will be helpful to the understanding of these reagents.

  8. Adulteration detection in milk using infrared spectroscopy combined with two-dimensional correlation analysis

    Science.gov (United States)

    He, Bin; Liu, Rong; Yang, Renjie; Xu, Kexin

    2010-02-01

    Adulteration of milk and dairy products has brought serious threats to human health as well as enormous economic losses to the food industry. Considering the diversity of adulterants possibly mixed in milk, such as melamine, urea, tetracycline, sugar/salt and so forth, a rapid, widely available, high-throughput, cost-effective method is needed for detecting each of the components in milk at once. In this paper, a method using Fourier Transform Infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation spectroscopy is established for the discriminative analysis of adulteration in milk. Firstly, the characteristic peaks of the raw milk are found in the 4000-400 cm-1 region by its original spectra. Secondly, the adulterant samples are respectively detected with the same method to establish a spectral database for subsequent comparison. Then, 2D correlation spectra of the samples are obtained which have high time resolution and can provide information about concentration-dependent intensity changes not readily accessible from one-dimensional spectra. And the characteristic peaks in the synchronous 2D correlation spectra of the suspected samples are compared with those of raw milk. The differences among their synchronous spectra imply that the suspected milk sample must contain some kinds of adulterants. Melamine, urea, tetracycline and glucose adulterants in milk are identified respectively. This nondestructive method can be used for a correct discrimination on whether the milk and dairy products are adulterated with deleterious substances and it provides a new simple and cost-effective alternative to test the components of milk.

  9. Fluorescence correlation spectroscopy

    NARCIS (Netherlands)

    Hink, M.A.; Verveer, P.J.

    2015-01-01

    Fluorescence fluctuation spectroscopy techniques allow the quantification of fluorescent molecules present at the nanomolar concentration level. After a brief introduction to the technique, this chapter presents a protocol including background information in order to measure and quantify the molecul

  10. Correlation ion mobility spectroscopy

    Science.gov (United States)

    Pfeifer, Kent B.; Rohde, Steven B.

    2008-08-26

    Correlation ion mobility spectrometry (CIMS) uses gating modulation and correlation signal processing to improve IMS instrument performance. Closely spaced ion peaks can be resolved by adding discriminating codes to the gate and matched filtering for the received ion current signal, thereby improving sensitivity and resolution of an ion mobility spectrometer. CIMS can be used to improve the signal-to-noise ratio even for transient chemical samples. CIMS is especially advantageous for small geometry IMS drift tubes that can otherwise have poor resolution due to their small size.

  11. Because the Light is Better Here: Correlation-Time Analysis by NMR Spectroscopy.

    Science.gov (United States)

    Smith, Albert A; Ernst, Matthias; Meier, Beat H

    2017-08-30

    Relaxation data in NMR spectra are often used for dynamics analysis, by modeling motion in the sample with a correlation function consisting of one or more decaying exponential terms, each described by an order parameter, and a correlation time. This method has its origins in the Lipari-Szabo model-free approach, which originally considered overall tumbling plus one internal motion and was later expanded to several internal motions. Considering several of these cases in the solid state it is found that if the real motion is more complex than the assumed model, model fitting is biased towards correlation times where the relaxation data are most sensitive. This leads to unexpected distortions in the resulting dynamics description. Therefore dynamics detectors should be used, which characterize different ranges of correlation times and can help in the analysis of protein motion without assuming a specific model of the correlation function. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Monitoring guanidinium-induced structural changes in ribonuclease proteins using Raman spectroscopy and 2D correlation analysis.

    Science.gov (United States)

    Brewster, Victoria L; Ashton, Lorna; Goodacre, Royston

    2013-04-02

    Assessing the stability of proteins by comparing their unfolding profiles is a very important characterization and quality control step for any biopharmaceutical, and this is usually measured by fluorescence spectroscopy. In this paper we propose Raman spectroscopy as a rapid, noninvasive alternative analytical method and we shall show this has enhanced sensitivity and can therefore reveal very subtle protein conformational changes that are not observed with fluorescence measurements. Raman spectroscopy is a powerful nondestructive method that has a strong history of applications in protein characterization. In this work we describe how Raman microscopy can be used as a fast and reliable method of tracking protein unfolding in the presence of a chemical denaturant. We have compared Raman spectroscopic data to the equivalent samples analyzed using fluorescence spectroscopy in order to validate the Raman approach. Calculations from both Raman and fluorescence unfolding curves of [D]50 values and Gibbs free energy correlate well with each other and more importantly agree with the values found in the literature for these proteins. In addition, 2D correlation analysis has been performed on both Raman and fluorescence data sets in order to allow further comparisons of the unfolding behavior indicated by each method. As many biopharmaceuticals are glycosylated in order to be functional, we compare the unfolding profiles of a protein (RNase A) and a glycoprotein (RNase B) as measured by Raman spectroscopy and discuss the implications that glycosylation has on the stability of the protein.

  13. Analysis of Chuanxiong Rhizoma and its active components by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Guo, Yizhen; Lv, Beiran; Wang, Jingjuan; Liu, Yang; Sun, Suqin; Xiao, Yao; Lu, Lina; Xiang, Li; Yang, Yanfang; Qu, Lei; Meng, Qinghong

    2016-01-01

    As complicated mixture systems, active components of Chuanxiong Rhizoma are very difficult to identify and discriminate. In this paper, the macroscopic IR fingerprint method including Fourier transform infrared spectroscopy (FT-IR), the second derivative infrared spectroscopy (SD-IR) and two-dimensional correlation infrared spectroscopy (2DCOS-IR), was applied to study and identify Chuanxiong raw materials and its different segmented production of HPD-100 macroporous resin. Chuanxiong Rhizoma is rich in sucrose. In the FT-IR spectra, water eluate is more similar to sucrose than the powder and the decoction. Their second derivative spectra amplified the differences and revealed the potentially characteristic IR absorption bands and combined with the correlation coefficient, concluding that 50% ethanol eluate had more ligustilide than other eluates. Finally, it can be found from 2DCOS-IR spectra that proteins were extracted by ethanol from Chuanxiong decoction by HPD-100 macroporous resin. It was demonstrated that the above three-step infrared spectroscopy could be applicable for quick, non-destructive and effective analysis and identification of very complicated and similar mixture systems of traditional Chinese medicines.

  14. A 2D correlation Raman spectroscopy analysis of a human cataractous lens

    Science.gov (United States)

    Sacharz, Julia; Wesełucha-Birczyńska, Aleksandra; Paluszkiewicz, Czesława; Chaniecki, Piotr; Błażewicz, Marta

    2016-11-01

    This work is a continuation of our study of a cataractous human eye lens removed after phacoemulsification surgery. There are clear differences in the lens colors that allowed for distinguishing two opaque phases in the obtained biological material: the white- and yellow-phase. The Raman spectroscopy and 2D correlation spectroscopy method were used to trace a pathologically altered human cataract lens at a molecular level. Although the Raman spectra of these two phases are relatively similar, taking advantage of 2D correlation, and considering time as an external perturbation, the synchronous and asynchronous spectra were obtained showing completely different patterns. Prominent synchronous auto-peaks appear at 3340, 2920, 1736, 1665 and 1083 cm-1 for the white-, and at 2929 and 1670 cm-1 for the yellow phase. The white phase is characterized by intensive asynchronous peaks at -(2936, 3360), -(1650, 1674) and +(1620,1678). The modifications in the water contained in the white phase structure are ahead of the changes in the protein (CH3-groups), furthermore changes in β-conformation are asynchronous with respect to the α-structure. The yellow phase demonstrates asynchronous peaks: +(2857, 2928), +(1645,1673), +(1663, 1679), and +(1672,1707). These illustrate concomitant modifications in the β- and unordered conformation. Both forms of cataractous human eye lens, white- and yellow-phases, are degenerate forms of the eye lens proteins, both are arranged in a different way. The main differences are observed for the amide I, methyl, methylene and Osbnd H vibrational band region. The effect of Asp, Glu and Tyr amino acids in cataractous lens transformations was observed.

  15. On the use of two-time correlation functions for X-ray photon correlation spectroscopy data analysis.

    Science.gov (United States)

    Bikondoa, Oier

    2017-04-01

    Multi-time correlation functions are especially well suited to study non-equilibrium processes. In particular, two-time correlation functions are widely used in X-ray photon correlation experiments on systems out of equilibrium. One-time correlations are often extracted from two-time correlation functions at different sample ages. However, this way of analysing two-time correlation functions is not unique. Here, two methods to analyse two-time correlation functions are scrutinized, and three illustrative examples are used to discuss the implications for the evaluation of the correlation times and functional shape of the correlations.

  16. Structural analysis of lime wood biodegraded by white rot fungi through infrared and two dimensional correlation spectroscopy techniques

    Science.gov (United States)

    Popescu, Carmen-Mihaela; Gradinariu, Petronela; Popescu, Maria-Cristina

    2016-11-01

    The action of the white rot fungi Phanerochaete crisosporium on the structure of lime wood (Tilia cordata) has been studied. The degree of decay was determined by weight loss, which was of 37% after 110 days. The samples were further analyzed by infrared and two dimensional correlation spectroscopy. The recorded spectra for different intervals of decay indicate variations in the intensities and width or wavenumber shifts of the bands assigned, both, for lignin and carbohydrates. An increase in the intensities of the bands from the carbonyl region due to formation of new structures, accompanied by the reduction of the methoxyl and methyl/methylene groups in lignin was evidenced. Further, the differences between reference and decayed wood spectra were examined in detail using 2DCOS spectroscopy and the second derivative analysis and the sequential order of modifications were established.

  17. Phase-Specific Raman Analysis of n-Alkane Melting by Moving-Window Two-Dimensional Correlation Spectroscopy.

    Science.gov (United States)

    Jin, Ying; Kotula, Anthony P; Hight Walker, Angela R; Migler, Kalman B; Lee, Young Jong

    2016-11-01

    We use moving-window two-dimensional correlation spectroscopy (MW-2DCOS) for phase-specific Raman analysis of the n-alkane (C21H44) during melting from the crystalline solid phase to the intermediate rotator phase and to the amorphous molten phase. In MW-2DCOS, individual peak-to-peak correlation analysis within a small subset of spectra provides both temperature-resolved and spectrally disentangled Raman assignments conducive to understanding phase-specific molecular interactions and chain configurations. We demonstrate that autocorrelation MW-2DCOS can determine the phase transition temperatures with a higher resolving power than commonly-used analysis methods including individual peak intensity analysis or principal component analysis. Besides the enhanced temperature resolving power, we demonstrate that asynchronous 2DCOS near the orthorhombic-to-rotator transition temperature can spectrally resolve the two overlapping peaks embedded in the Raman CH2 twisting band in the orthorhombic phase, which had been only predicted but not observed due to thermal broadening near the melting temperature.

  18. 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...

  19. 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...

  20. A scalable correlator for multichannel diffuse correlation spectroscopy

    Science.gov (United States)

    Stapels, Christopher J.; Kolodziejski, Noah J.; McAdams, Daniel; Podolsky, Matthew J.; Fernandez, Daniel E.; Farkas, Dana; Christian, James F.

    2016-03-01

    Diffuse correlation spectroscopy (DCS) is a technique which enables powerful and robust non-invasive optical studies of tissue micro-circulation and vascular blood flow. The technique amounts to autocorrelation analysis of coherent photons after their migration through moving scatterers and subsequent collection by single-mode optical fibers. A primary cost driver of DCS instruments are the commercial hardware-based correlators, limiting the proliferation of multi-channel instruments for validation of perfusion analysis as a clinical diagnostic metric. We present the development of a low-cost scalable correlator enabled by microchip-based time-tagging, and a software-based multi-tau data analysis method. We will discuss the capabilities of the instrument as well as the implementation and validation of 2- and 8-channel systems built for live animal and pre-clinical settings.

  1. Correlating cell morphology and stochastic gene expression using fluorescence spectroscopy and GPU-enabled image analysis

    Science.gov (United States)

    Shepherd, Douglas; Shapiro, Evan; Perillo, Evan; Werner, James

    2014-03-01

    Biological processes at the microscopic level appear stochastic, requiring precise measurement and analytical techniques to determine the nature of the underlying regulatory networks. Single-molecule, single-cell studies of gene expression have provided insights into how cells respond to external stimuli. Recent work has suggested that macroscopic cell properties, such as cell morphology, are correlated with gene expression. Here we present single-cell studies of a signal-activated gene network: Interleukin 4 (IL4) RNA production in rat basophil leukemia (RBL) cells during the allergic response. We fluorescently label individual IL4 RNA transcripts in populations of RBL cells, subject to varying external stimuli. A custom super-resolution microscope is used to measure the number of fluorescent labeled IL4 transcripts in populations of RBL cells on a cell-by-cell basis. To test the hypothesis that cell morphology is connected genotype, we analyze white light images of RBL cells and cross-reference cell morphology with IL4 RNA levels. We find that the activation of RBL cells, determined by white-light imaging, is well correlated with IL4 mRNA expression.

  2. Analysis of crystallized lactose in milk powder by Fourier-transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Lei, Yu; Zhou, Qun; Zhang, Yan-ling; Chen, Jian-bo; Sun, Su-qin; Noda, Isao

    2010-06-01

    Infrared (IR) spectroscopy is used in combination with two-dimensional (2D) correlation IR spectroscopy to conduct rapid non-destructive quantitative research in milk powder without additional separation steps. The experiments conducted in both FT-IR and 2D FT-IR spectra suggest that characteristic spectroscopic features of milk powder containing different carbohydrate can be detected, and then determine the type of carbohydrate. To predict the approximate content of lactose while the carbohydrate is lactose, different amount of crystallized lactose has been added to the reference milk powder. The correlation coefficient could be used to determine the content of crystallized lactose in milk powder. The method provides a rapid and convenient means for assessing the quality of milk powder.

  3. A versatile dual spot laser scanning confocal microscopy system for advanced fluorescence correlation spectroscopy analysis in living cell

    CERN Document Server

    Ferrand, P; Kress, A; Aillaud, A; Rigneault, H; Marguet, D

    2009-01-01

    A fluorescence correlation spectroscopy (FCS) system based on two independent measurement volumes is presented. The optical setup and data acquisition hardware are detailed, as well as a complete protocol to control the location, size and shape of the measurement volumes. A method that allows to monitor independently the excitation and collection efficiency distribution is proposed. Finally, a few examples of measurements that exploit the two spots in static and/or scanning schemes, are reported.

  4. [Analysis and identification of Poria cocos peels harvested from different producing areas by FTIR and 2D-IR correlation spectroscopy].

    Science.gov (United States)

    Ma, Fang; Zhang, Fang; Tang, Jin; Chen, Ping; Chen, Jian-Bo; Zhou, Qun; Sun, Su-Qin

    2014-02-01

    Different geographical regions of traditional Chinese medicine (TCM), its chemical composition is different, the accumulation of drug and medicinal properties is different. The accurate identification and analysis of different production area of medicinal herbs is critical for the quality control and pharmacological research of TCM. In this paper, a tri-step infrared spectroscopy (Fourier transform infrared spectroscopy (FTIR) combined with second derivative spectra and two-dimensional correlation infrared spectroscopy (2D-COS) were employed to identify and analyze the main components of Hubei (HB), Anhui (AH), Yun-nan (YN) genuine Poria Cocos peels. The emergence of several characteristic absorption peaks of carbohydrates including 1149, 1079 1036 cm(-1), peaks around 1619, 1315, 780 cm(-1) belonged to calcium oxalate suggested that HB and AH Poria Cocos peels contained calcium oxalate, but peaks around 797, 779, 537, 470 cm(-1) belonged to kaoline suggested that YN Poria Cocos peels contained kaoline. Their carbohydrates were different by comparing the second derivative infrared spectra in the range of 1640-450 cm(-1) and Yongping come from YN contains both calcium oxalate and kaoline. Furthermore, the above differences were visually validated by two-dimensional correlation spectroscopy (2D-COS). It was demonstrated that the Tri-step infrared spectroscopy were successfully applied to fast analyze and identify Poria Cocos peels from different geographical regions and subsequently would be applicable to explain the relevance of geographical regions and medicinal properties for the TCM.

  5. Accurate quantitative analysis of gold alloys using multi-pulse laser induced breakdown spectroscopy and a correlation-based calibration method

    Energy Technology Data Exchange (ETDEWEB)

    Galbacs, Gabor [Department of Inorganic and Analytical Chemistry, University of Szeged, 6720 Szeged, Dom ter 7. (Hungary)], E-mail: galbx@chem.u-szeged.hu; Jedlinszki, Nikoletta; Cseh, Gabor; Galbacs, Zoltan; Turi, Laszlo [Department of Inorganic and Analytical Chemistry, University of Szeged, 6720 Szeged, Dom ter 7. (Hungary)

    2008-05-15

    Multi-pulse laser induced breakdown spectroscopy (LIBS), in combination with the generalized linear correlation calibration method (GLCM), was applied to the quantitative analysis (fineness determination) of quaternary gold alloys. Accuracy and precision on the order of a few thousandths ( per mille ) was achieved. The analytical performance is directly comparable to that of the standard cupellation method (fire assay), but provides results within minutes and is virtually non-destructive, as it consumes only a few micrograms of the sample.

  6. Correlation spectroscopy applied to glycerol polyester spectra

    Science.gov (United States)

    The recent development of glycerol polyesters for use as controlled release matrix materials in the nutraceuticals and pharmaceuticals industries presented a unique opportunity to apply correlation spectroscopy. In a typical formulation the glycerol is reacted with a polyfunctional acid such as citr...

  7. [Identification and analysis of genuine and false Flos Rosae Rugosae by FTIR and 2D correlation IR spectroscopy].

    Science.gov (United States)

    Cai, Fang; Sun, Su-qin; Yan, Wen-rong; Niu, Shi-jie; Li, Xian-en

    2009-09-01

    The genuine and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora) were examined in terms of their differences by using Fourier transform infrared spectroscopy (FTIR) combined with two-dimensional (2D) correlation IR spectroscopy. The three species were shown very similar in FTIR spectra. The peak of 1318 cm(-1) of genuine Flos Rosae Rugosae is not obvious but this peak could be found sharp in Flos Rosae Chinensis and Flos Rosa multiflora. Generally, the second derivative IR spectrum can clearly enhance the spectral resolution. Flos Rosae Rugosae and Flos rosae Chinensis have aromatic compounds distinct fingerprint characteristics at 1 617 and 1 618 cm(-1), respectively. Nevertheless, FlosRosa multiflora has the peak at 1612 cm(-1). There is a discrepancy of 5 to 6 cm(-1). FlosRosa multiflora has glucide's distinct fingerprint characteristics at 1 044 cm(-1), but Flos Rosae Rugosae and Flos Rosae Chinensis don't. The second derivative infrared spectra indicated different fingerprint characteristics. Three of them showed aromatic compounds with autopeaks at 1620, 1560 and 1460 cm(-1). Flos Rosae Chinensis and Flos Rosa multiflora have the shoulder peak at 1660 cm(-1). In the range of 850-1250 cm(-1), three of them are distinct different, Flos Rosae Rugosae has the strongest autopeak, Flos Rosae Chinensis has the feeble autopeak and Flos Rosa multiflora has no autopeak at 1050 cm(-1). In third-step identification, the different contents of aromatic compounds and glucide in Flos Rosae Rugosae, Flos Rosae Chinensis and Flos Rosa multiflora were revealed. It is proved that the method is fast and effective for distinguishing and analyzing genuine Flos Rosae Rugosae and false Flos Rosae Rugosae (Flos Rosae Chinensis and Flos Rosa multiflora).

  8. Electrochemical impedance spectroscopy analysis with a symmetric cell for LiCoO2 cathode degradation correlated with Co dissolution

    Directory of Open Access Journals (Sweden)

    Hiroki Nara

    2016-04-01

    Full Text Available Static degradation of LiCoO2 cathodes is a problem that hinders accurate analysis using our developed separable symmetric cell. Therefore, in this study we investigate the static degradation of LiCoO2 cathodes in separable symmetric cells by electrochemical impedance spectroscopy (EIS and inductively coupled plasma analyses. EIS measurements of LiCoO2 cathodes are conducted in various electrolytes, with different anions and with or without HF and/or H2O. This allows us to determine the static degradation of LiCoO2 cathodes relative to their increase of charge transfer resistance. The increase of the charge transfer resistance of the LiCoO2 cathodes is attributed to cobalt dissolution from the active material of LiCoO2. Cobalt dissolution from LiCoO2 is revealed to occur even at low potential in the presence of HF, which is generated from LiPF6 and H2O. The results indicate that avoidance of HF generation is important for the analysis of lithium-ion battery electrodes by using the separable cell. These findings reveal the condition to achieve accurate analysis by EIS using the separable cell.

  9. Fluorescence correlation spectroscopy in laser gradient field

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Fluorescence correlation spectroscopy (FCS) is capable of probing dynamic processes in living biological systems. From photon fluctuation of fluorescing particles which diffuse through a small detection volume, FCS reveals information on the concentration and the structure of the particles, as well as information on microscopic environment.In this note, we study the radiation forces experienced by Rayleigh particles in a laser field in details, and analyze the effects of gradient field on FCS measurements.

  10. Two-focus fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dertinger, T.

    2007-05-15

    Fluorescence Correlation Spectroscopy (FCS) has been invented more than 30 years ago and experienced a renaissance after stable and affordable laser sources and low-noise single-photon detectors have become available. Its ability to measure diffusion coefficients at nanomolar concentrations of analyte made it a widely used tool in biophysics. However, in recent years it has been shown by many authors that aberrational (e.g. astigmatism) and photophysical effects (e.g. optical saturation) may influence the result of an FCS experiment dramatically, so that a precise and reliable estimation of the diffusion coefficient is no longer possible. In this thesis, we report on the development, implementation, and application of a new and robust modification of FCS that we termed two-focus FCS (2fFCS) and which fulfils two requirements: (i) It introduces an external ruler into the measurement by generating two overlapping laser foci of precisely known and fixed distance. (ii) These two foci and corresponding detection regions are generated in such a way that the corresponding molecule detection functions (MDFs) are sufficiently well described by a simple two-parameter model yielding accurate diffusion coefficients when applied to 2fFCS data analysis. Both these properties enable us to measure absolute values of the diffusion coefficient with an accuracy of a few percent. Moreover, it will turn out that the new technique is robust against refractive index mismatch, coverslide thickness deviations, and optical saturation effects, which so often trouble conventional FCS measurements. This thesis deals mainly with the introduction of the new measurement scheme, 2fFCS, but also presents several applications with far-reaching importance. (orig.)

  11. Photon Correlation Spectroscopy for Observing Natural Lasers

    CERN Document Server

    Dravins, Dainis

    2007-01-01

    Natural laser emission may be produced whenever suitable atomic energy levels become overpopulated. Strong evidence for laser emission exists in astronomical sources such as Eta Carinae, and other luminous stars. However, the evidence is indirect in that the laser lines have not yet been spectrally resolved. The lines are theoretically estimated to be extremely narrow, requiring spectral resolutions very much higher (R approx.= 10**8) than possible with ordinary spectroscopy. Such can be attained with photon-correlation spectroscopy on nanosecond timescales, measuring the autocorrelation function of photon arrival times to obtain the coherence time of light, and thus the spectral linewidth. A particular advantage is the insensitivity to spectral, spatial, and temporal shifts of emission-line components due to local velocities and probable variability of 'hot-spots' in the source. A laboratory experiment has been set up, simulating telescopic observations of cosmic laser emission. Numerically simulated observa...

  12. Depth profiling of SBS/PET layered materials using step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy and two-dimensional correlation analysis

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    This paper demonstrates the application of step-scan phase modulation Fourier transform infrared photoacoustic spectroscopy(FTIR-PAS) in non-destructively depth profiling of styrene-butadiene-styrene block copolymer/polyethylene terephthalate(SBS/PET) layered materials.The surface thicknesses of three layered samples were determined to be 1.2,4.3 and 9.4μm by using phase difference analysis,overcoming the spatial detection limits of FTIR.Combined with generalized two-dimensional(G2D) FTIR correlation analysis,the spatial origins of peaks in the SBS/PET spectrum are identified with those having overlapping peaks between different layers are resolved.

  13. LASER CORRELATION SPECTROSCOPY (LCS) AND ITS CLINICAL PERSPECTIVES IN OPHTHALMOLOGY

    OpenAIRE

    Karganov Mikhail; Eskina Erika; Stepanova Maria

    2015-01-01

    The method of laser correlation spectroscopy (LCS) is based on the analysis of the spectrum of quasielastic light scatter during coherent monochromatic laser irradiation of micro-particles in biological fluids (blood serum, urine, oropharyngeal washout fluid, tear fluid etc.). Spectrum provides information on dynamic processes in the analyzed system: translation motion of scattering particles and their orientation and conformation dynamics. Special procedures of cluster analysis make it possi...

  14. Identification of authentic and adulterated Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation analysis

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhou, Qun; Zhang, Gui-jun; Sun, Su-qin; Guo, Yi-zhen

    2016-11-01

    As a kind of expensive perfume and valuable herb, the commercial Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy and two-dimensional (2D) correlation analysis are employed to establish a simple and quick identification method for the authentic and adulterated ALR. In the conventional infrared spectra, the standard ALR has a strong peak at 1658 cm-1 referring to the conjugated carbonyl of resin, while this peak is absent in the adulterated samples. The position, intensity, and shape of the auto-peaks and cross-peaks of the authentic and adulterated ALR are much different in the synchronous 2D correlation spectra with thermal perturbation. In the range of 1700-1500 cm-1, the standard ALR has four obvious auto-peaks, while the strongest one is at 1659 cm-1. The adulterated sample w-1 has three obvious auto-peaks and the strongest one is at 1647 cm-1. The adulterated sample w-2 has three obvious auto-peaks and the strongest one is at 1519 cm-1. The adulterated sample w-3 has four obvious auto-peaks and the strongest one is at 1690 cm-1. The above auto-peaks confirm that the standard ALR contains a certain content of resin compounds, while the three counterfeits contain little or different resins. The results show the potential of FT-IR spectroscopy and 2D correlation analysis in the simple and quick identification of authentic and adulterated ALR.

  15. Broadband homodecoupled heteronuclear multiple bond correlation spectroscopy.

    Science.gov (United States)

    Sakhaii, Peyman; Haase, Burkhard; Bermel, Wolfgang

    2013-03-01

    A general concept for removing proton-proton scalar J couplings in 2D NMR spectroscopy is proposed. The idea is based on introducing an additional J resolved dimension into the pulse sequence of a conventional 2D experiment to design a pseudo 3D NMR experiment. The practical demonstration is exemplified on the widely used gradient coherence selected heteronuclear long-range correlation spectroscopy (HMBC). We refer to this type of pulse sequence as tilt HMBC experiment. For every (13)C chemical shift evolution increment, a homonuclear J resolved experiment is recorded. The long-range defocusing delay of the HMBC pulse sequence is exploited to implement this building block. The J resolved evolution period is incremented in a way very similar to ACCORDION spectroscopy to accommodate the buildup of heteronuclear long-range antiphase magnetisation as well. After Fourier transformation in all dimensions the spectra are tilted in the J resolved dimension. Finally, a projection along the J resolved dimension is calculated leading to almost disappearance of proton-proton spin multiplicities in the 2D tilt HMBC spectrum. The tilt HMBC experiment combines sensitivity with simple experimental setup and can be recorded with short recycle delays, when combined with Ernst angle excitation. The recorded spectra display singlet proton signals for long-range correlation peaks making an unambiguous signal assignment much easier. In addition to the new experiment a simple processing technique is applied to efficiently suppress the noise originating from forward linear prediction in the indirect evolution dimensions. In case of issues with fast repetition times, probe heating and RF power handling most of the RF pulses can be replaced by broadband, frequency swept pulses operating at much lower power.

  16. Hardware simulator for photon correlation spectroscopy

    Science.gov (United States)

    Ferri, Fabio; Magatti, Davide

    2003-10-01

    We present a hardware simulator ideal for testing digital correlators in photon correlation spectroscopy. By using a PCI-6534 National Instrument I/O board, a personal computer (1.5 GHz Pentium 4), and an original algorithm developed in LabVIEW (National Instrument™), we realized an instrument capable of delivering a continuous stream of transistor-transistor logic pulses with the desired statistical properties over one or more channels. The pulse resolution could be set to values multiple of the clock period Δt=50 ns available on the board. When a single channel is used, the maximum count rate at Δt=50 ns was ˜350 kHz. With two channels we obtained ˜80 kHz at Δt=50 ns and ˜120 kHz at Δt=100 ns. Pulse streams with Gaussian statistics and in the presence of shot noise were simulated and measured with a commercial hardware correlator. Photodetector defects, such as the presence of afterpulses, were also simulated and their elimination by cross correlation techniques was checked. The simulator works also as a general purpose pulse pattern generator (PPG). Compared with commercial PPGs, our simulator is slower, but permits a continuous output of the pulse stream (not allowed in PPGs). At the same time it offers many other nontrivial advantages related to its flexibility, relatively low cost, and easy adaptability to future technology developments.

  17. Tracking the curing process of automotive paint by moving-window two-dimensional infrared correlation spectroscopy and principal component analysis

    Science.gov (United States)

    Chen, Jian-bo; Sun, Su-qin; Yu, Jing; Zhou, Qun

    2014-07-01

    Moving-window two-dimensional correlation spectroscopy (MW2DCOS) and principal component analysis (PCA) were combined to interpret the time serial infrared spectra. The curing process of an automotive paint sample was tracked by attenuated total reflection Fourier transform infrared spectroscopy. Score plots of the first and second principal components showed that the curing process contained three stages. Meanwhile, the loading spectra indicated that the solvent was a mixture of aromatic compounds. Absorption peaks which changed significantly in each stage were revealed by auto-peak MW2DCOS. Furthermore, point-line and point-point MW2DCOS demonstrated the time-resolved relationship between absorption peaks from toluene, xylene and resin. In summary, the evaporation of toluene was the first stage of the curing process of this automotive paint sample. Next, the mixture of o-xylene, m-xylene and p-xylene began to evaporate in the second stage. After the evaporation of the solvent, the solid paint membrane was formed. For the interpretation of the time serial spectra, PCA is useful to estimate the number of significant chemical components and to find out the important turning points of the process, while MW2DCOS can show the changes of the spectral peaks and the relationship between them step by step. The combination of PCA and MW2DCOS is very interesting to extract and display the time-resolved information in the time serial spectra.

  18. Adaptive Optics for Fluorescence Correlation Spectroscopy

    CERN Document Server

    Leroux, Charles Edouard; Derouard, Jacques; Delon, Antoine

    2011-01-01

    Fluorescence Correlation Spectroscopy (FCS) yields measurement parameters (number of molecules, diffusion time) that characterize the concentration and kinetics of fluorescent molecules within a supposedly known observation volume. Absolute derivation of concentrations and diffusion constants therefore requires preliminary calibrations of the confocal Point Spread Function with phantom solutions under perfectly controlled environmental conditions. In this paper, we quantify the influence of optical aberrations on single photon FCS and demonstrate a simple Adaptive Optics system for aberration correction. Optical aberrations are gradually introduced by focussing the excitation laser beam at increasing depths in fluorescent solutions with various refractive indices, which leads to drastic depth-dependent bias in the estimated FCS parameters. Aberration correction with a Deformable Mirror stabilizes these parameters within a range of several tens of \\mum into the solution. We also demonstrate, both theoretically...

  19. Two-dimensional heterospectral correlation analysis of the redox-induced conformational transition in cytochrome c using surface-enhanced Raman and infrared absorption spectroscopies on a two-layer gold surface.

    Science.gov (United States)

    Zou, Changji; Larisika, Melanie; Nagy, Gabor; Srajer, Johannes; Oostenbrink, Chris; Chen, Xiaodong; Knoll, Wolfgang; Liedberg, Bo; Nowak, Christoph

    2013-08-22

    The heme protein cytochrome c adsorbed to a two-layer gold surface modified with a self-assembled monolayer of 2-mercaptoethanol was analyzed using a two-dimensional (2D) heterospectral correlation analysis that combined surface-enhanced infrared absorption spectroscopy (SEIRAS) and surface-enhanced Raman spectroscopy (SERS). Stepwise increasing electric potentials were applied to alter the redox state of the protein and to induce conformational changes within the protein backbone. We demonstrate herein that 2D heterospectral correlation analysis is a particularly suitable and useful technique for the study of heme-containing proteins as the two spectroscopies address different portions of the protein. Thus, by correlating SERS and SEIRAS data in a 2D plot, we can obtain a deeper understanding of the conformational changes occurring at the redox center and in the supporting protein backbone during the electron transfer process. The correlation analyses are complemented by molecular dynamics calculations to explore the intramolecular interactions.

  20. Two-dimensional correlation spectroscopy in polymer study

    Science.gov (United States)

    Park, Yeonju; Noda, Isao; Jung, Young Mee

    2015-01-01

    This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286

  1. Quadrature two-dimensional correlation spectroscopy (Q-2DCOS)

    Science.gov (United States)

    Noda, Isao

    2016-11-01

    Quadrature 2D correlation spectroscopy (Q-2DCOS) is introduced. The technique incorporates the effect of the perturbation into the traditional 2DCOS analysis by building a multivariate model, merging the information of the perturbation variable and spectral responses. By employing factors which are 90° out of phase with each other, pertinent coincidental and sequential spectral intensity variations are adequately captured for the subsequent 2D correlation analysis. Almost complete replication of the original 2DCOS results based on such a simple rank 2 model of experimental spectra suggests that only the dominant spectral intensity variation patterns in combination with its quadrature counterpart seems to be utilized in 2DCOS analysis. Using the linear perturbation variable itself as the basis for generating the primary score vector is equivalent to the least squares fitting of a quadratic polynomial with spectral intensity variations. Q-2DCOS analysis may be displayed in terms of a graphical plot on a phase plane in the vector space, so that coincidental and sequential matching of the patterns of spectral intensity variations is represented simply by the phase angle difference between two vectors. Q-2DCOS analysis is closely related to other established ideas and practices in the 2D correlation spectroscopy field, such as dynamic 2D IR dichroism, PCA 2D, quadrature orthogonal signal correction (Q-OSC), and perturbation correlation moving window (PCMW) analyses.

  2. Photoelectron spectroscopy of strongly correlated Yb compounds

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.J.; Andrews, A.B.; Arko, A.J.; Bartlett, R.J.; Blythe, R.I. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Olson, C.G.; Benning, P.J.; Canfield, P.C. [Ames Laboratory, U. S. Department of Energy, Ames, Iowa 50011 (United States); Poirier, D.M. [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

    1996-12-01

    The electronic properties of the Yb compounds YBCu{sub 2}Si{sub 2}, YBAgCu{sub 4}, and YbAl{sub 3} along with purely divalent Yb metal, have been investigated by means of high-resolution ultraviolet and x-ray photoelectron spectroscopy. We present the intrinsic characteristic features of the 4{ital f} levels of Yb while accounting for lattice vibrations and the manifestation of corelike energy levels degenerate with the valence states and modified by the temperature-dependent Fermi function. For these strongly correlated Yb-based compounds, the hole occupancy values ({ital n}{sub {ital f}}{approximately}0.6) directly obtained from integration of the divalent and trivalent portions of the 4{ital f} photoemission features indicate that these compounds are strongly mixed valent. The small intensity modulation with temperature in the divalent Yb 4{ital f} levels (0{endash}10{percent} over a {ital T}=20{minus}300 K range) is discussed within the conventional framework of the photoemission process and nominal allowances for lattice variations with temperature. Results from photoemission experiments on the divalent 4{ital f} levels of strongly correlated Yb compounds are remarkably similar to the 4{ital f} levels of purely divalent Yb metal. {copyright} {ital 1996 The American Physical Society.}

  3. Near-infrared (NIR) imaging analysis of polylactic acid (PLA) nanocomposite by multiple-perturbation two-dimensional (2D) correlation spectroscopy

    Science.gov (United States)

    Shinzawa, Hideyuki; Murakami, Takurou N.; Nishida, Masakazu; Kanematsu, Wataru; Noda, Isao

    2014-07-01

    Multiple-perturbation two-dimensional (2D) correlation spectroscopy was applied to sets of near-infrared (NIR) imaging data of polylactic acid (PLA) nanocomposite samples undergoing UV degradation. Incorporation of clay nanoparticles substantially lowers the surface free energy barrier for the nucleation of PLA and eventually increases the frequency of the spontaneous nucleation of PLA crystals. Thus, when exposed to external stimuli such as UV light, PLA nanocomposite may show different structure alternation depending on the clay dispersion. Multiple-perturbation 2D correlation analysis of the PLA nanocomposite samples revealed different spatial variation between crystalline and amorphous structure of PLA, and the phenomenon especially becomes acute in the region where the clay particles are coagulated. The incorporation of the clay leads to the cleavage-induced crystallization of PLA when the sample is subjected to the UV light. The additional development of the ordered crystalline structure then works favorably to restrict the initial degradation of the polymer, providing the delay in the weight loss of the PLA.

  4. Biochemical imaging of normal, adenoma, and colorectal adenocarcinoma tissues by Fourier transform infrared spectroscopy (FTIR and morphological correlation by histopathological analysis: preliminary results

    Directory of Open Access Journals (Sweden)

    Juliana Aparecida de Almeida Chaves Piva

    Full Text Available Introduction The colorectal cancer is a major health problem worldwide. Histology is considered the gold standard for differential diagnosis. However, it depends on the observer's experience, which can lead to discrepancies and poor results. Spectroscopic imaging by Fourier transform infrared (FTIR is a technique that may be able to improve the diagnosis, because it is based on biochemical differences of the structural constituents of tissue. Therefore, the main goal of this study was to explore the use of FTIR imaging technique in normal colon tissue, colorectal adenoma, and adenocarcinoma in order to correlate their morphological structures with their biochemical imaging. Methods Samples were collected from normal (n = 4, adenoma (n = 4, and adenocarcinoma human colorectal tissue (n = 4 from patients undergoing colonoscopy or surgical resection of colon lesions. The samples were sectioned with a cryostat in sequential sections; the first slice was placed on CaF2 slide and the second slice was placed on glass slide for histological analysis (HE staining. The cluster analyses were performed by the software Cytospec (1.4.02®. Results In normal samples, biochemical analysis classified six different structures, namely the lamina propria of mucous glands (epithelial cells and goblet cells, central lumen of the gland, mucin, and conjunctive tissue. In samples with adenoma and adenocarcinoma, altered regions could also be identified with high sensitivity and specificity. Conclusion The results of this study demonstrate the potential and viability of using infrared spectroscopy to identify and classify colorectal tissues.

  5. Electron spectroscopy analysis

    Science.gov (United States)

    Gregory, John C.

    1992-01-01

    The Surface Science Laboratories at the University of Alabama in Huntsville (UAH) are equipped with x-ray photoelectron spectroscopy (XPS or ESCA) and Auger electron spectroscopy (AES) facilities. These techniques provide information from the uppermost atomic layers of a sample, and are thus truly surface sensitive. XPS provides both elemental and chemical state information without restriction on the type of material that can be analyzed. The sample is placed into an ultra high vacuum (UHV) chamber and irradiated with x-rays which cause the ejection of photoelectrons from the sample surface. Since x-rays do not normally cause charging problems or beam damage, XPS is applicable to a wide range of samples including metals, polymers, catalysts, and fibers. AES uses a beam of high energy electrons as a surface probe. Following electronic rearrangements within excited atoms by this probe, Auger electrons characteristic of each element present are emitted from the sample. The main advantage of electron induced AES is that the electron beam can be focused down to a small diameter and localized analysis can be carried out. On the rastering of this beam synchronously with a video display using established scanning electron microscopy techniques, physical images and chemical distribution maps of the surface can be produced. Thus very small features, such as electronic circuit elements or corrosion pits in metals, can be investigated. Facilities are available on both XPS and AES instruments for depth-profiling of materials, using a beam of argon ions to sputter away consecutive layers of material to reveal sub-surface (and even semi-bulk) analyses.

  6. Vectorized data acquisition and fast triple-correlation integrals for Fluorescence Triple Correlation Spectroscopy.

    Science.gov (United States)

    Ridgeway, William K; Millar, David P; Williamson, James R

    2013-04-01

    Fluorescence Correlation Spectroscopy (FCS) is widely used to quantitate reaction rates and concentrations of molecules in vitro and in vivo. We recently reported Fluorescence Triple Correlation Spectroscopy (F3CS), which correlates three signals together instead of two. F3CS can analyze the stoichiometries of complex mixtures and detect irreversible processes by identifying time-reversal asymmetries. Here we report the computational developments that were required for the realization of F3CS and present the results as the Triple Correlation Toolbox suite of programs. Triple Correlation Toolbox is a complete data analysis pipeline capable of acquiring, correlating and fitting large data sets. Each segment of the pipeline handles error estimates for accurate error-weighted global fitting. Data acquisition was accelerated with a combination of off-the-shelf counter-timer chips and vectorized operations on 128-bit registers. This allows desktop computers with inexpensive data acquisition cards to acquire hours of multiple-channel data with sub-microsecond time resolution. Off-line correlation integrals were implemented as a two delay time multiple-tau scheme that scales efficiently with multiple processors and provides an unprecedented view of linked dynamics. Global fitting routines are provided to fit FCS and F3CS data to models containing up to ten species. Triple Correlation Toolbox is a complete package that enables F3CS to be performed on existing microscopes.

  7. Laser correlation spectroscopy for diagnostics gallstone diseases

    Science.gov (United States)

    Korolevich, Alexander N.; Prigun, N. P.; Khairullina, A. Y.; Belsley, M. S.

    2003-10-01

    The method of dynamical spectroscopy the change in sizes of aggregates of bile vesicules caused by different nucleating factors has been investigated. It is shown that the bile vesicule sizes at chronic cholecystites vary from 90-200 nm. In so doing, the presence of a large fraction of bile vesicules characterized, as shown in the paper, by a higher concentration of cholesterol can serve as a criterion for cholestitis acuteness and litogenesis intensity.

  8. LASER CORRELATION SPECTROSCOPY (LCS AND ITS CLINICAL PERSPECTIVES IN OPHTHALMOLOGY

    Directory of Open Access Journals (Sweden)

    Karganov Mikhail

    2015-12-01

    Full Text Available The method of laser correlation spectroscopy (LCS is based on the analysis of the spectrum of quasielastic light scatter during coherent monochromatic laser irradiation of micro-particles in biological fluids (blood serum, urine, oropharyngeal washout fluid, tear fluid etc.. Spectrum provides information on dynamic processes in the analyzed system: translation motion of scattering particles and their orientation and conformation dynamics. Special procedures of cluster analysis make it possible to find out to which linkage group a particular spectrum belongs. LCS allows evaluation of sub-fractional composition of biological fluids in a wide range of molecular sizes (from 1 to 10,000 nm, which determines principal novelty of this approach in ophthalmology.

  9. Vectorized data acquisition and fast triple-correlation integrals for Fluorescence Triple Correlation Spectroscopy

    Science.gov (United States)

    Ridgeway, William K.; Millar, David P.; Williamson, James R.

    2013-04-01

    Fluorescence Correlation Spectroscopy (FCS) is widely used to quantify reaction rates and concentrations of molecules in vitro and in vivo. We recently reported Fluorescence Triple Correlation Spectroscopy (F3CS), which correlates three signals together instead of two. F3CS can analyze the stoichiometries of complex mixtures and detect irreversible processes by identifying time-reversal asymmetries. Here we report the computational developments that were required for the realization of F3CS and present the results as the Triple Correlation Toolbox suite of programs. Triple Correlation Toolbox is a complete data analysis pipeline capable of acquiring, correlating and fitting large data sets. Each segment of the pipeline handles error estimates for accurate error-weighted global fitting. Data acquisition was accelerated with a combination of off-the-shelf counter-timer chips and vectorized operations on 128-bit registers. This allows desktop computers with inexpensive data acquisition cards to acquire hours of multiple-channel data with sub-microsecond time resolution. Off-line correlation integrals were implemented as a two delay time multiple-tau scheme that scales efficiently with multiple processors and provides an unprecedented view of linked dynamics. Global fitting routines are provided to fit FCS and F3CS data to models containing up to ten species. Triple Correlation Toolbox is a complete package that enables F3CS to be performed on existing microscopes. Catalogue identifier: AEOP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOP_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 50189 No. of bytes in distributed program, including test data, etc.: 6135283 Distribution format: tar.gz Programming language: C/Assembly. Computer: Any with GCC and

  10. Synthetic spectra: a tool for correlation spectroscopy.

    Science.gov (United States)

    Sinclair, M B; Butler, M A; Ricco, A J; Senturia, S D

    1997-05-20

    We show that computer-generated diffractive optical elements can be used to synthesize the infrared spectra of important compounds, and we describe a modified phase-retrieval algorithm useful for the design of elements of this type. In particular, we present the results of calculations of diffractive elements that are capable of synthesizing portions of the infrared spectra of gaseous hydrogen fluoride (HF) and trichloroethylene (TCE). Further, we propose a new type of correlation spectrometer that uses these diffractive elements rather than reference cells for the production of reference spectra. Storage of a large number of diffractive elements, each producing a synthetic spectrum corresponding to a different target compound, in compact-disk-like format will allow a spectrometer of this type to rapidly determine the composition of unknown samples. Other advantages of the proposed correlation spectrometer are also discussed.

  11. 2D IR Correlation Spectroscopy in Wood Science

    Directory of Open Access Journals (Sweden)

    Carmen Mihaela Popescu

    2012-10-01

    Full Text Available Generalized 2D correlation spectroscopy is a well-established technique that provides considerable utility and benefit in various spectroscopic studies of polymers. Some of the important features of generalized 2D correlation spectra are simplification of complex spectra consisting of many overlapped peaks, enhancement of spectral resolution by spreading peaks along the second dimension, unambiguous assignments through the correlation of bands selectively coupled by various interaction mechanisms, and determination of the sequence of the spectral peak emergence.

  12. Metabolic response to exogenous ethanol in yeast: an in vivo statistical total correlation NMR spectroscopy approach.

    Science.gov (United States)

    Ricci, Maso; Aggravi, Marianna; Bonechi, Claudia; Martini, Silvia; Aloisi, Anna Maria; Rossi, Claudio

    2012-09-01

    In vivo NMR spectroscopy, together with selectively 13C-labelled substrates and 'statistical total correlation spectroscopy' analysis (STOCSY), are valuable tools to collect and interpret the metabolic responses of a living organism to external stimuli. In this study, we applied this approach to evaluate the effects of increasing concentration of exogenous ethanol on the Saccharomyces cerevisiae fermentative metabolism. We show that the STOCSY analysis correctly identifies the different types of correlations among the enriched metabolites involved in the fermentation, and that these correlations are quite stable even in presence of a stressing factor such as the exogenous ethanol.

  13. Photon correlation spectroscopy of bilayer lipid membranes.

    Science.gov (United States)

    Crilly, J F; Earnshaw, J C

    1983-02-01

    Light scattering by thermal fluctuations on simple monoglyceride bilayer membranes has been used to investigate the viscoelastic properties of these structures. Spectroscopic analysis of these fluctuations (capillary waves) permits the nonperturbative measurement of the interfacial tension and a shear interfacial viscosity acting normal to the membrane plane. The methods were established by studies of solvent and nonsolvent bilayers of glycerol monooleate (GMO). Changes in the tension of GMO/n-decane membranes induced by altering the composition of the parent solution were detected and quantified. In a test of the reliability of the technique controlled variations of the viscosity of the aqueous bathing solution were accurately monitored. The technique was applied to solvent-free bilayers formed from dispersions of GMO in squalane. The lower tensions observed attested to the comparative absence of solvent in such bilayers. In contrast to the solvent case, the solvent-free membranes exhibited a significant transverse shear viscosity, indicative of the enhanced intermolecular interactions within the bilayer.

  14. Application of Laser Correlation Spectroscopy for Measuring Virus Size.

    Science.gov (United States)

    Nikiforov, V N; Vinogradov, S E; Ivanov, A V; Efremova, E V; Kalnina, L B; Bychenko, A B; Tentsov, Yu Yu; Manykin, A A

    2016-05-01

    Dynamic light scattering method or laser correlation spectroscopy was applied to evaluation of the size of viruses. We measured correlation functions of the light scattered by human immunodeficiency viruses (HIV) and hepatitis A viruses (HAV) and found that size of HIV-1 (subtype A and B) and HAV virions were 104 nm and 28 nm, respectively. Comparison of these findings with electron microscopy data for fixed samples of the same viruses showed good agreement of the results.

  15. Polarized fluorescence correlation spectroscopy of DNA-DAPI complexes

    OpenAIRE

    Barcellona, ML; Gammon, S; Hazlett, T.; Digman, MA; Gratton, E

    2004-01-01

    We discuss the use of fluorescence correlation spectroscopy for the measurement of relatively slow rotations of large macromolecules in solution or attached to other macromolecular structures. We present simulations and experimental results to illustrate the range of rotational correlation times and diffusion times that the technique can analyze. In particular, we examine various methods to analyze the polarization fluctuation data. We have found that by first constructing the polarization fu...

  16. Fluorescence Correlation Spectroscopy Applied to Living Plant Cells

    NARCIS (Netherlands)

    Hink, M.A.

    2002-01-01

    Keywords: Fluorescence correlation spectroscopy, photon counting histogram, intracellular, plant, AtSERK1In order to survive organisms have to be capable to adjust theirselves to changes in the environment. Cells, the building blocks of an organism react to these

  17. [Progress in Application of Two-Dimensional Correlation Spectroscopy for Detection of Food Quality].

    Science.gov (United States)

    Yang, Ren-jie; Yang, Yan-rong; Liu, Hai-xue; Dong, Gui-mei; Du, Yan-hong; Shan, Hui-yong; Zhang, Wei-yu

    2015-08-01

    In recent years, the food safety and quality has always been a serious issue. Therefore, it is urgent to develop a rapid and widely available method to determine the quality of food. Due to high spectral resolution, good spectral selectivity and good ability of spectrogram analysis, the technology of two-dimensional (2D) correlation spectroscopy is an effective method for solving three major problems encountered by the conventional one-dimensional (1D) spectrum: low selectivity of the spectra, difficulty in extracting the information of the spectral feature and difficulty in spectrogram analysis. Therefore, 2D correlation spectroscopy, which is suited to distinguish similar samples hardly distinguished by the conventional 1D spectroscopy, has been successfully applied in many complex biological systems. The developmental process, the experimental way to obtain spectrum, the fundamental mathematical principle and the properties of 2D correlation spectroscopy were introduced in this paper. At the same time, it is pointed out that the origin of weak characteristic bands of substance can be verified in terms of the positive or negative corss peaks in synchronous 2D correlation spectrum combined with the existence or inexistence of corss peaks in asynchronous 2D correlation spectrum. The application of 2D near-infrared, mid-infrared, fluorescence, and raman correlation spectroscopy in the detection of food quality and adulteration, concentrated specifically on diary product, wine, oil, meat, honey, and rice were reviewed. Finally, the limitations and future development prospects were pointed out.

  18. FARCOS, a new array for femtoscopy and correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    La Guidara E.

    2012-07-01

    Full Text Available Correlations between two or more particles can be used as a tool to explore the space-time features of nuclear reactions as well as spectroscopic properties of produced unbound clusters. In order to have new options to study the mentioned correlations, FARCOS (Femtoscope ARray for COrrelations and Spectroscopy has been conceived as a compact high resolution array, composed of square telescopes. In this work the main features of FARCOS array as well as part of the physics cases are described.

  19. Blood analysis by Raman spectroscopy

    Science.gov (United States)

    Enejder, Annika M. K.; Koo, Tae-Woong; Oh, Jeankun; Hunter, Martin; Sasic, Slobodan; Feld, Michael S.; Horowitz, Gary L.

    2002-11-01

    Concentrations of multiple analytes were simultaneously measured in whole blood with clinical accuracy, without sample processing, using near-infrared Raman spectroscopy. Spectra were acquired with an instrument employing nonimaging optics, designed using Monte Carlo simulations of the influence of light-scattering-absorbing blood cells on the excitation and emission of Raman light in turbid medium. Raman spectra were collected from whole blood drawn from 31 individuals. Quantitative predictions of glucose, urea, total protein, albumin, triglycerides, hematocrit, and hemoglobin were made by means of partial least-squares (PLS) analysis with clinically relevant precision (r2 values >0.93). The similarity of the features of the PLS calibration spectra to those of the respective analyte spectra illustrates that the predictions are based on molecular information carried by the Raman light. This demonstrates the feasibility of using Raman spectroscopy for quantitative measurements of biomolecular contents in highly light-scattering and absorbing media.

  20. In situ orientation studies of a poly(3-hydroxybutyrate)/poly(epsilon-caprolactone) blend by rheo-optical fourier transform infrared spectroscopy and two-dimensional correlation spectroscopic analysis.

    Science.gov (United States)

    Unger, Miriam; Siesler, Heinz W

    2009-12-01

    In the present study, the orientation of a poly(3-hydroxybutyrate) (PHB)/poly(epsilon-caprolactone) (PCL) blend was monitored during uniaxial elongation by rheo-optical Fourier transform infrared (FT-IR) spectroscopy and analyzed by generalized two-dimensional correlation spectroscopy (2D-COS). The dichroism of the delta(CH(2)) absorption bands of PHB and PCL was employed to determine the polymer chain orientation in the PHB/PCL blend during the elongation up to 267% strain. From the PHB and PCL specific orientation functions it was derived that the PCL chains orient into the drawing direction while the PHB chains orient predominantly perpendicular to the applied strain. To extract more detailed information about the polymer orientation during uniaxial elongation, 2D-COS analysis was employed for the dichroic difference of the polarization spectra recorded during the drawing process. In the corresponding synchronous and asynchronous 2D correlation plots, absorption bands characteristic of the crystalline and amorphous regions of PHB and PCL were separated. Furthermore, the 2D-COS analysis revealed that during the mechanical treatment the PCL domains orient before the PHB domains.

  1. Enhanced Performance Neutron Scattering Spectroscopy by Use of Correlation Techniques

    CERN Document Server

    Mezei, F; Migliardo, F; Magazù, S

    2016-01-01

    Neutron correlation spectroscopy can exceed direct spectroscopy in the incoming beam intensity by up to two orders of magnitude at the same energy resolution. However, the propagation of the counting noise in the correlation algorithm of data reduction is disadvantageous for the lowest intensity parts of the observed spectrum. To mitigate this effect at pulsed neutron sources we propose two dimensional time-of-flight recording of each neutron detection event: with respect to both the neutron source pulses and to the rotation phase of the pseudo-random beam modulation statistical chopper. We have identified a formulation of the data reduction algorithm by matching the data processing time channel width to the inherent time resolution of this chopper, which makes the reconstruction of the direct time-of-flight spectra exact and independent of all other contributions to instrumental resolution. Two ways are proposed for most flexible choice of intensity vs. resolution without changing the statistical chopper or ...

  2. Inexpensive hardware and software for photon statistics and correlation spectroscopy

    CERN Document Server

    Gamari, Benjamin D; Buckman, Richard E; Milas, Peker; Denker, John S; Chen, Hui; Li, Hongmin; Goldner, Lori S

    2013-01-01

    Single-molecule sensitive microscopies and spectroscopies are transforming biophysics and materials science laboratories. Techniques such as fluorescence correlation spectroscopy (FCS) and single-molecule sensitive fluorescence resonance energy transfer (FRET) are now commonly available in research laboratories but are as yet infrequently available in teaching laboratories. We describe inexpensive electronics and open-source software that bridges this gap, making state-of-the-art measurement research capabilities accessible to undergraduates interested in biophysics. We include a pedagogical discussion of the intensity correlation function relevant to FCS and its calculation directly from photon arrival times. We demonstrate the system with a measurement of the hydrodynamic radius of a protein using FCS that is suitable for an undergraduate teaching laboratory. The FPGA-based electronics, which are easy to construct, are suitable for more advanced measurements as well, and several applications are demonstrate...

  3. A 32-channel photon counting module with embedded auto/cross-correlators for real-time parallel fluorescence correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gong, S.; Labanca, I.; Rech, I.; Ghioni, M. [Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2014-10-15

    Fluorescence correlation spectroscopy (FCS) is a well-established technique to study binding interactions or the diffusion of fluorescently labeled biomolecules in vitro and in vivo. Fast FCS experiments require parallel data acquisition and analysis which can be achieved by exploiting a multi-channel Single Photon Avalanche Diode (SPAD) array and a corresponding multi-input correlator. This paper reports a 32-channel FPGA based correlator able to perform 32 auto/cross-correlations simultaneously over a lag-time ranging from 10 ns up to 150 ms. The correlator is included in a 32 × 1 SPAD array module, providing a compact and flexible instrument for high throughput FCS experiments. However, some inherent features of SPAD arrays, namely afterpulsing and optical crosstalk effects, may introduce distortions in the measurement of auto- and cross-correlation functions. We investigated these limitations to assess their impact on the module and evaluate possible workarounds.

  4. Fourier Transform Infrared Spectroscopy and Photoacoustic Spectroscopy for Saliva Analysis.

    Science.gov (United States)

    Mikkonen, Jopi J W; Raittila, Jussi; Rieppo, Lassi; Lappalainen, Reijo; Kullaa, Arja M; Myllymaa, Sami

    2016-09-01

    Saliva provides a valuable tool for assessing oral and systemic diseases, but concentrations of salivary components are very small, calling the need for precise analysis methods. In this work, Fourier transform infrared (FT-IR) spectroscopy using transmission and photoacoustic (PA) modes were compared for quantitative analysis of saliva. The performance of these techniques was compared with a calibration series. The linearity of spectrum output was verified by using albumin-thiocyanate (SCN(-)) solution at different SCN(-) concentrations. Saliva samples used as a comparison were obtained from healthy subjects. Saliva droplets of 15 µL were applied on the silicon sample substrate, 6 drops for each specimen, and dried at 37 ℃ overnight. The measurements were carried out using an FT-IR spectrometer in conjunction with an accessory unit for PA measurements. The findings with both transmission and PA modes mirror each other. The major bands presented were 1500-1750 cm(-1) for proteins and 1050-1200 cm(-1) for carbohydrates. In addition, the distinct spectral band at 2050 cm(-1) derives from SCN(-) anions, which is converted by salivary peroxidases to hypothiocyanate (OSCN(-)). The correlation between the spectroscopic data with SCN(-) concentration (r > 0.990 for transmission and r = 0.967 for PA mode) was found to be significant (P < 0.01), thus promising to be utilized in future applications.

  5. Sucrose monoester micelles size determined by Fluorescence Correlation Spectroscopy (FCS.

    Directory of Open Access Journals (Sweden)

    Susana A Sanchez

    Full Text Available One of the several uses of sucrose detergents, as well as other micelle forming detergents, is the solubilization of different membrane proteins. Accurate knowledge of the micelle properties, including size and shape, are needed to optimize the surfactant conditions for protein purification and membrane characterization. We synthesized sucrose esters having different numbers of methylene subunits on the substituent to correlate the number of methylene groups with the size of the corresponding micelles. We used Fluorescence Correlation Spectroscopy (FCS and two photon excitation to determine the translational D of the micelles and calculate their corresponding hydrodynamic radius, R(h. As a fluorescent probe we used LAURDAN (6-dodecanoyl-2-dimethylaminonaphthalene, a dye highly fluorescent when integrated in the micelle and non-fluorescent in aqueous media. We found a linear correlation between the size of the tail and the hydrodynamic radius of the micelle for the series of detergents measured.

  6. Metabolic response to exogenous ethanol in yeast: An in vivo statistical total correlation NMR spectroscopy approach

    Indian Academy of Sciences (India)

    Maso Ricci; Marianna Aggravi; Claudia Bonechi; Silvia Martini; Anna Maria; Claudio Rossi

    2012-09-01

    In vivo NMR spectroscopy, together with selectively 13C-labelled substrates and ‘statistical total correlation spectroscopy’ analysis (STOCSY), are valuable tools to collect and interpret the metabolic responses of a living organism to external stimuli. In this study, we applied this approach to evaluate the effects of increasing concentration of exogenous ethanol on the Saccharomyces cerevisiae fermentative metabolism. We show that the STOCSY analysis correctly identifies the different types of correlations among the enriched metabolites involved in the fermentation, and that these correlations are quite stable even in presence of a stressing factor such as the exogenous ethanol.

  7. Multiview Bayesian Correlated Component Analysis

    DEFF Research Database (Denmark)

    Kamronn, Simon Due; Poulsen, Andreas Trier; Hansen, Lars Kai

    2015-01-01

    we denote Bayesian correlated component analysis, evaluates favorably against three relevant algorithms in simulated data. A well-established benchmark EEG data set is used to further validate the new model and infer the variability of spatial representations across multiple subjects....... are identical. Here we propose a hierarchical probabilistic model that can infer the level of universality in such multiview data, from completely unrelated representations, corresponding to canonical correlation analysis, to identical representations as in correlated component analysis. This new model, which...

  8. Oxygen measurement by multimode diode lasers employing gas correlation spectroscopy.

    Science.gov (United States)

    Lou, Xiutao; Somesfalean, Gabriel; Chen, Bin; Zhang, Zhiguo

    2009-02-10

    Multimode diode laser (MDL)-based correlation spectroscopy (COSPEC) was used to measure oxygen in ambient air, thereby employing a diode laser (DL) having an emission spectrum that overlaps the oxygen absorption lines of the A band. A sensitivity of 700 ppm m was achieved with good accuracy (2%) and linearity (R(2)=0.999). For comparison, measurements of ambient oxygen were also performed by tunable DL absorption spectroscopy (TDLAS) technique employing a vertical cavity surface emitting laser. We demonstrate that, despite slightly degraded sensitivity, the MDL-based COSPEC-based oxygen sensor has the advantages of high stability, low cost, ease-of-use, and relaxed requirements in component selection and instrument buildup compared with the TDLAS-based instrument.

  9. Polarized fluorescence correlation spectroscopy of DNA-DAPI complexes.

    Science.gov (United States)

    Barcellona, Maria Luisa; Gammon, Seth; Hazlett, Theodore; Digman, Michelle A; Gratton, Enrico

    2004-11-01

    We discuss the use of fluorescence correlation spectroscopy for the measurement of relatively slow rotations of large macromolecules in solution or attached to other macromolecular structures. We present simulations and experimental results to illustrate the range of rotational correlation times and diffusion times that the technique can analyze. In particular, we examine various methods to analyze the polarization fluctuation data. We have found that by first constructing the polarization function and then calculating the autocorrelation function, we can obtain the rotational motion of the molecule with very little interference from the lateral diffusion of the macromolecule, as long as the rotational diffusion is significantly faster than the lateral diffusion. Surprisingly, for common fluorophores the autocorrelation of the polarization function is relatively unaffected by the photon statistics. In our instrument, two-photon excitation is used to define a small volume of illumination where a few molecules are present at any instant of time. The measurements of long DNA molecules labeled with the fluorescent probe DAPI show local rotational motions of the polymers in addition to translation motions of the entire polymer. For smaller molecules such as EGFP, the viscosity of the solution must be increased to bring the relaxation due to rotational motion into the measurable range. Overall, our results show that polarized fluorescence correlation spectroscopy can be used to detect fast and slow rotational motion in the time scale from microsecond to second, a range that cannot be easily reached by conventional fluorescence anisotropy decay methods.

  10. Theoretical model of blood flow measurement by diffuse correlation spectroscopy

    Science.gov (United States)

    Sakadžić, Sava; Boas, David A.; Carp, Stefan

    2017-02-01

    Diffuse correlation spectroscopy (DCS) is a noninvasive method to quantify tissue perfusion from measurements of the intensity temporal autocorrelation function of diffusely scattered light. However, DCS autocorrelation function measurements in tissue better match theoretical predictions based on the diffusive motion of the scatterers than those based on a model where the advective nature of blood flow dominates the stochastic properties of the scattered light. We have recently shown using Monte Carlo (MC) simulations and assuming a simplistic vascular geometry and laminar flow profile that the diffusive nature of the DCS autocorrelation function decay is likely a result of the shear-induced diffusion of the red blood cells. Here, we provide theoretical derivations supporting and generalizing the previous MC results. Based on the theory of diffusing-wave spectroscopy, we derive an expression for the autocorrelation function along the photon path through a vessel that takes into account both diffusive and advective scatterer motion, and we provide the solution for the DCS autocorrelation function in a semi-infinite geometry. We also derive the correlation diffusion and correlation transfer equation, which can be applied for an arbitrary sample geometry. Further, we propose a method to take into account realistic vascular morphology and flow profile.

  11. Nonlinear Theory of Anomalous Diffusion and Application to Fluorescence Correlation Spectroscopy

    Science.gov (United States)

    Boon, Jean Pierre; Lutsko, James F.

    2015-12-01

    The nonlinear theory of anomalous diffusion is based on particle interactions giving an explicit microscopic description of diffusive processes leading to sub-, normal, or super-diffusion as a result of competitive effects between attractive and repulsive interactions. We present the explicit analytical solution to the nonlinear diffusion equation which we then use to compute the correlation function which is experimentally measured by correlation spectroscopy. The theoretical results are applicable in particular to the analysis of fluorescence correlation spectroscopy of marked molecules in biological systems. More specifically we consider the cases of fluorescently labeled lipids in the plasma membrane and of fluorescent apoferritin (a spherically shaped oligomer) in a crowded dextran solution and we find that the nonlinear correlation spectra reproduce very well the experimental data indicating sub-diffusive molecular motion.

  12. Novel developments and applications of two-dimensional correlation spectroscopy

    Science.gov (United States)

    Park, Yeonju; Noda, Isao; Jung, Young Mee

    2016-11-01

    A comprehensive survey review of new and noteworthy developments of 2D correlation spectroscopy (2DCOS) and its applications for the last two years is compiled. This review covers not only journal articles and book chapters but also books, proceedings, and review articles published on 2DCOS, numerous significant new concepts of 2DCOS, patents and publication trends. Noteworthy experimental practices in the field of 2DCOS, including types of analytical probes employed, various perturbation methods used in experiments, and pertinent examples of fundamental and practical applications, are also reviewed.

  13. Intramolecular fluorescence correlation spectroscopy in a feedback tracking microscope

    CERN Document Server

    McHale, Kevin

    2009-01-01

    We derive the statistics of the signals generated by shape fluctuations of large molecules studied by feedback tracking microscopy. We account for the influence of intramolecular dynamics on the response of the tracking system, and derive a general expression for the fluorescence autocorrelation function that applies when those dynamics are linear. We show that tracking provides enhanced sensitivity to translational diffusion, molecular size, heterogeneity and long time-scale decays in comparison to traditional fluorescence correlation spectroscopy. We demonstrate our approach by using a three-dimensional tracking microscope to study genomic $\\lambda$-phage DNA molecules with various fluorescence label configurations. We conclude with a discussion of related techniques, including computation of the relevant statistics for camera-based intramolecular correlation measurements.

  14. Fluorescence Correlation Spectroscopy and Nonlinear Stochastic Reaction-Diffusion

    CERN Document Server

    Del Razo, Mauricio J; Qian, Hong; Lin, Guang

    2014-01-01

    The currently existing theory of fluorescence correlation spectroscopy(FCS) is based on the linear fluctuation theory originally developed by Einstein, Onsager, Lax, and others as a phenomenological approach to equilibrium fluctuations in bulk solutions. For mesoscopic reaction-diffusion systems with nonlinear chemical reactions among a small number of molecules, a situation often encountered in single-cell biochemistry, it is expected that FCS time correlation functions of a reaction-diffusion system can deviate from the classic results of Elson and Magde. We first discuss this nonlinear effect for reaction systems without diffusion. For nonlinear stochastic reaction-diffusion systems here are no closed solutions; therefore, stochastic Monte-Carlo simulations are carried out. We show that the deviation is small for a simple bimolecular reaction; the most significant deviations occur when the number of molecules is small and of the same order. Our results show that current linear FCS theory could be adequate ...

  15. Correlation of proton MR spectroscopy and diffusion tensor imaging.

    Science.gov (United States)

    Irwan, Roy; Sijens, Paul E; Potze, Jan-Hendrik; Oudkerk, Matthijs

    2005-10-01

    Proton magnetic resonance spectroscopy ((1)H-MRS) provides indices of neuronal damage. Diffusion tensor imaging (DTI) relates to water diffusivity and fiber tract orientation. A method to compare (1)H-MRS and DTI findings was developed, tested on phantom and applied on normal brain. Point-resolved spectroscopy (T(R)/T(E)=1500/135) was used for chemical shift imaging of a supraventricular volume of interest of 8 x 8 x 2 cm(3) (64 voxels). In DTI, a segmental spin-echo sequence (T(R)/T(E)=5500/91) was used and slices were stacked to reproduce the slab used in MRS. The spatial distributions of choline and N-acetylaspartate (NAA) correlated to mean fractional anisotropy and apparent diffusion coefficient (ADC) for the inner 6 x 6=36 voxels defined in MRS, most notably NAA and ADC value (r=-.70, P<.00001; correlation across four subjects, 144 data pairs). This is the first association of neuron metabolite contents in volunteers with structure as indicated by DTI.

  16. Inexpensive electronics and software for photon statistics and correlation spectroscopy

    Science.gov (United States)

    Gamari, Benjamin D.; Zhang, Dianwen; Buckman, Richard E.; Milas, Peker; Denker, John S.; Chen, Hui; Li, Hongmin; Goldner, Lori S.

    2016-01-01

    Single-molecule-sensitive microscopy and spectroscopy are transforming biophysics and materials science laboratories. Techniques such as fluorescence correlation spectroscopy (FCS) and single-molecule sensitive fluorescence resonance energy transfer (FRET) are now commonly available in research laboratories but are as yet infrequently available in teaching laboratories. We describe inexpensive electronics and open-source software that bridges this gap, making state-of-the-art research capabilities accessible to undergraduates interested in biophysics. We include a discussion of the intensity correlation function relevant to FCS and how it can be determined from photon arrival times. We demonstrate the system with a measurement of the hydrodynamic radius of a protein using FCS that is suitable for the undergraduate teaching laboratory. The FPGA-based electronics, which are easy to construct, are suitable for more advanced measurements as well, and several applications are described. As implemented, the system has 8 ns timing resolution, can control up to four laser sources, and can collect information from as many as four photon-counting detectors. PMID:26924846

  17. The study of correlations between hydrogen bonding characteristics in liquid, sub- and supercritical methanol. Molecular dynamics simulations and Raman spectroscopy analysis.

    Science.gov (United States)

    idrissi, Abdenacer; Oparin, Roman D; Krishtal, Sergey P; Krupin, Sergey V; Vorobiev, Evgeny A; Frolov, Andrey I; Dubois, Leo; Kiselev, Mikhail G

    2013-01-01

    Molecular dynamics (MD) studies of hydrogen bonding (H-bonding) in liquid, sub- and supercritical methanol have been performed in a wide range of thermodynamic parameters of state, using various potential models and two H-bond criteria. It was shown that there is the universal correlation between the average number of H-bonds per molecule (n(HB)) and the mole fraction of H-bonded molecules (X(HB)) for the studied thermodynamic parameters of state. The same feature was observed for the correlations between fractions of molecules forming one (f1), two (f2), three (f3) H-bonds and X(HB). These correlations served to fit experimental Raman spectra of methanol recorded under sub- and supercritical conditions. The advantage of the approach used here is that f1, f2, f3 values have a clear physical meaning and are dependent on the values of state parameters.

  18. Ultra-soft magnetic properties and correlated phase analysis by 57Fe Mössbauer spectroscopy of Fe74Cu0.8Nb2.7Si15.5B7 alloy

    Directory of Open Access Journals (Sweden)

    S. Manjura Hoque

    2016-02-01

    Full Text Available A detailed study of magnetic softness has been performed on FINEMENT type of ribbons by investigating the BH loop with maximum applied field of 960 A/m. The ribbon with the composition of Fe74Cu0.8Nb2.7Si15.5B7 was synthesized by rapid solidification technique and the compositions volume fraction was controlled by changing the annealing condition. Detail phase analysis was performed through X-ray diffraction (XRD, Differential scanning calorimetry (DSC, Vibrating sample magnetometer (VSM and Mössbauer spectroscopy in order to correlate the ultrasoft magnetic properties with the volume fraction of amorphous and α-Fe(Si soft nano composites. Bright (BF and dark field (DF image with selective area diffraction (SAD patterns by the transmission electron microscopy (TEM of the sample annealed for the optimized annealed condition at 853 K for 3 min reveals nanocrystals with an average size between 10-15 nm possessing the bcc structure which matches with the grain size revealed by the X-ray diffraction. Kinetics of crystallization of α-Fe(Si phases has been determined by DSC curves. Extremely small coercivity of 30.9 A/m and core loss of 2.5 W/Kg for the sample annealed at 853 K for 3 min was found. Similar values for other crystalline conditions were determined by using BH loop tracer with a maximum applied field of around 960 A/m. Mössbauer spectroscopy was used to determine chemical shift, hyperfine field distribution (HFD, and peak width of different phases. The volume fractions of the relative amount of amorphous and crystalline phases are also determined by Mössbauer spectroscopy. High saturation magnetization along with ultrasoft magnetic properties exhibits very high potentials technological applications.

  19. Correlative spectroscopy of silicates in mineralised nodules formed from osteoblasts

    Science.gov (United States)

    Boonrungsiman, Suwimon; Fearn, Sarah; Gentleman, Eileen; Spillane, Liam; Carzaniga, Raffaella; McComb, David W.; Stevens, Molly M.; Porter, Alexandra E.

    2013-07-01

    Silicon supplementation has been shown to play an important role in skeleton development, however, the potential role that silicon plays in mediating bone formation, and an understanding of where it might localise in the resulting bone tissue remain elusive. An improved understanding of these processes could have important implications for treating pathological mineralisation. A key aspect of defining the role of silicon in bone is to characterise its distribution and coordination environment, however, there is currently almost no information available on either. We have combined a sample-preparation method that simultaneously preserved mineral, ions, and the extracellular matrix (ECM) with secondary ion mass spectroscopy (SIMS) and electron energy-loss spectroscopy (EELS) to examine the distribution and coordination environment of silicon in murine osteoblasts (OBs) in an in vitro model of bone formation. SIMS analysis showed a high level of surface contamination from polydimethysiloxane (PDMS) resulting from sample preparation. When the PDMS was removed, silicon compounds could not be detected within the nodules either by SIMS or by energy dispersive X-ray spectroscopy (EDX) analysis. In comparison, electron energy-loss spectroscopy (EELS) provided a powerful and potentially widely applicable means to define the coordination environment and localisation of silicon in mineralising tissues. We show that trace levels of silicon were only detectable from the mineral deposits located on the collagen and in the peripheral region of mineralised matrix, possibly the newly mineralised regions of the OB nodules. Taken together our results suggest that silicon plays a biological role in bone formation, however, the precise mechanism by which silicon exerts its physicochemical effects remains uncertain. Our analytical results open the door for compelling new sets of EELS experiments that can provide detailed and specific information about the role that silicates play in bone

  20. Fluorescence cross-correlation spectroscopy using single wavelength laser

    Institute of Scientific and Technical Information of China (English)

    Chao XIE; Chaoqing DONG; Jicun REN

    2009-01-01

    In this paper, we first introduced the basic principle of fluorescence cross-correlation spectroscopy (FCCS) and then established an FCCS setup using a single wavelength laser. We systematically optimized the setup, and the detection volume reached about 0.7 fL. The home-built setup was successfully applied for the study of the binding reaction of human immunoglobulin G with goat antihuman immunoglobulin G. Using quantum dots (745 nm emission wavelength) and Rhodamine B (580 nm emission wavelength) as labeling probes and 532 nm laser beam as an excitation source, the cross-talk effect was almost completely suppressed. The molecule numbers in a highly focused volume, the concentration, and the diffusion time and hydrodynamic radii of the reaction products can be determined by FCCS system.

  1. Characterization of molecularly imprinted polymer nanoparticles by photon correlation spectroscopy.

    Science.gov (United States)

    Malm, Björn; Yoshimatsu, Keiichi; Ye, Lei; Krozer, Anatol

    2014-12-01

    We follow template-binding induced aggregation of nanoparticles enantioselectively imprinted against (S)-propranolol, and the non-imprinted ones, using photon correlation spectroscopy (dynamic light scattering). The method requires no separation steps. We have characterized binding of (R,S)-propranolol to the imprinted polymers and determined the degree of non-specificity by comparing the specific binding with the results obtained using non-imprinted nanoparticles. Using (S)-propranolol as a template for binding to (S)-imprinted nanoparticle, and (R)-propranolol as a non-specific control, we have determined range of concentrations where chiral recognition can be observed. By studying aggregation induced by three analytes related to propranolol, atenolol, betaxolol, and 1-amino-3-(naphthalen-1-yloxy)propan-2-ol, we were able to determine which parts of the template are involved in the specific binding, discuss several details of specific adsorption, and the structure of the imprinted site.

  2. Detecting Nanodomains in Living Cell Membrane by Fluorescence Correlation Spectroscopy

    Science.gov (United States)

    He, Hai-Tao; Marguet, Didier

    2011-05-01

    Cell membranes actively participate in numerous cellular functions. Inasmuch as bioactivities of cell membranes are known to depend crucially on their lateral organization, much effort has been focused on deciphering this organization on different length scales. Within this context, the concept of lipid rafts has been intensively discussed over recent years. In line with its ability to measure diffusion parameters with great precision, fluorescence correlation spectroscopy (FCS) measurements have been made in association with innovative experimental strategies to monitor modes of molecular lateral diffusion within the plasma membrane of living cells. These investigations have allowed significant progress in the characterization of the cell membrane lateral organization at the suboptical level and have provided compelling evidence for the in vivo existence of raft nanodomains. We review these FCS-based studies and the characteristic structural features of raft nanodomains. We also discuss the findings in regards to the current view of lipid rafts as a general membrane-organizing principle.

  3. Split and delay photon correlation spectroscopy with a visible light

    Energy Technology Data Exchange (ETDEWEB)

    Rasch, Marten

    2016-04-15

    The development and performance of a setup constructed with the aim for the split pulse photon correlation spectroscopy is presented in this thesis. The double pulse time structure is accomplished with help of an Acusto-Optic Modulator (AOM) crystal, which mimics the splitting and delaying of photon pulses. The setup provides double pulses and allows to control the pulse width and delay and to synchronize them into one camera exposure window. The performance of the setup was successfully verified in a proof of principle experiment with a model system of polystyrene particles following Brownian motion. The measured radius of particles obtained with from the split pulse experiment (R{sub h}=(2.567±0.097) μm) is in agreement with the particle size provided by the manufacturer (R=(2.26±0.08) μm). The achieved results show higher statistics compared to a standard Dynamic Light Scattering (DLS) measurement.

  4. Influence of the surface hydrophobicity on fluorescence correlation spectroscopy measurements

    Science.gov (United States)

    Boutin, Céline; Jaffiol, Rodolphe; Plain, Jérome; Royer, Pascal

    2007-02-01

    Fluorescence correlation spectroscopy (FCS) is a powerful experimental technique used to analyze the diffusion at the single molecule level in solution. FCS is based on the temporal autocorrelation of fluorescent signal generated by dye molecules diffusing through a small confocal volume. These measurements are mostly carried out in a chambered coverglass, close to the glass substrate. In this report, we discuss how the chemical nature of the glass-water interface may interact with the free diffusion of molecules. Our results reveal a strong influence, up to a few μm from the interface, of the surface hydrophobicity degree. This influence is assessed through the relative weight of the two dimension diffusion process observed at the vicinity of the surface.

  5. Interpretation of correlation analysis results

    OpenAIRE

    Kılıç, Selim

    2012-01-01

    Correlation analysis is used to quantify the degree of linear association between two variables. Correlation coefficient is showed as “r” and it may have values between (-) 1 and (+)1. The symbols (-) or (+) in front of “r coefficient” show the direction of correlation. The direction of association does not affect the strength of association. A “ r coefficient” which is equal or greater than 0.70 is accepted as a good association. Correlation coeefficient only remarks the strength of associat...

  6. Establishing the diffuse correlation spectroscopy signal relationship with blood flow.

    Science.gov (United States)

    Boas, David A; Sakadžić, Sava; Selb, Juliette; Farzam, Parisa; Franceschini, Maria Angela; Carp, Stefan A

    2016-07-01

    Diffuse correlation spectroscopy (DCS) measurements of blood flow rely on the sensitivity of the temporal autocorrelation function of diffusively scattered light to red blood cell (RBC) mean square displacement (MSD). For RBCs flowing with convective velocity [Formula: see text], the autocorrelation is expected to decay exponentially with [Formula: see text], where [Formula: see text] is the delay time. RBCs also experience shear-induced diffusion with a diffusion coefficient [Formula: see text] and an MSD of [Formula: see text]. Surprisingly, experimental data primarily reflect diffusive behavior. To provide quantitative estimates of the relative contributions of convective and diffusive movements, we performed Monte Carlo simulations of light scattering through tissue of varying vessel densities. We assumed laminar vessel flow profiles and accounted for shear-induced diffusion effects. In agreement with experimental data, we found that diffusive motion dominates the correlation decay for typical DCS measurement parameters. Furthermore, our model offers a quantitative relationship between the RBC diffusion coefficient and absolute tissue blood flow. We thus offer, for the first time, theoretical support for the empirically accepted ability of the DCS blood flow index ([Formula: see text]) to quantify tissue perfusion. We find [Formula: see text] to be linearly proportional to blood flow, but with a proportionality modulated by the hemoglobin concentration and the average blood vessel diameter.

  7. Fluorescence Correlation Spectroscopy and Nonlinear Stochastic Reaction-Diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Del Razo, Mauricio; Pan, Wenxiao; Qian, Hong; Lin, Guang

    2014-05-30

    The currently existing theory of fluorescence correlation spectroscopy (FCS) is based on the linear fluctuation theory originally developed by Einstein, Onsager, Lax, and others as a phenomenological approach to equilibrium fluctuations in bulk solutions. For mesoscopic reaction-diffusion systems with nonlinear chemical reactions among a small number of molecules, a situation often encountered in single-cell biochemistry, it is expected that FCS time correlation functions of a reaction-diffusion system can deviate from the classic results of Elson and Magde [Biopolymers (1974) 13:1-27]. We first discuss this nonlinear effect for reaction systems without diffusion. For nonlinear stochastic reaction-diffusion systems there are no closed solutions; therefore, stochastic Monte-Carlo simulations are carried out. We show that the deviation is small for a simple bimolecular reaction; the most significant deviations occur when the number of molecules is small and of the same order. Extending Delbrück-Gillespie’s theory for stochastic nonlinear reactions with rapidly stirring to reaction-diffusion systems provides a mesoscopic model for chemical and biochemical reactions at nanometric and mesoscopic level such as a single biological cell.

  8. Correlation spectroscopy in cold atoms: Light sideband resonances in electromagnetically-induced-transparency condition

    Science.gov (United States)

    Florez, H. M.; Kumar, A.; Theophilo, K.; Nussenzveig, P.; Martinelli, M.

    2016-07-01

    The correlation spectroscopy has been successfully employed in the measurement of the intrinsic linewidth of electromagnetically induced transparency (EIT) in time and frequency domain. We study the role of the sidebands of the intense fields in the measured spectra, analyzing the information that can be recovered working with different analysis frequencies. In this case, the nonzero one-photon detuning appears as a necessary condition for spectrally resolving the sideband resonances in the correlation coefficient. Our experimental findings are supported by the perturbative model defined in the frequency domain.

  9. Correlation spectroscopy in cold atoms: light sidebands resonances in electromagnetically induced transparency condition

    CERN Document Server

    Florez, H M; Theophilo, K; Nussenzveig, P; Martinelli, M

    2015-01-01

    The correlation spectroscopy has been successfully employed in the measurement of the intrinsic linewidth of electromagnetically induced transparency (EIT) in time and frequency domain. We study the role of the sidebands of the intense fields in the measured spectra, analyzing the information that can be recovered working with different analysis frequencies. In this case, the non-zero one-photon detuning appears as a necessary condition for spectrally resolving the sideband resonances in the correlation coefficient. Our experimental findings are supported by the perturbative model defined in the frequency domain.

  10. Photoacoustic spectroscopy for process analysis.

    Science.gov (United States)

    Schmid, Thomas

    2006-03-01

    Photoacoustic spectroscopy (PAS) is based on the absorption of electromagnetic radiation by analyte molecules. The absorbed energy is measured by detecting pressure fluctuations in the form of sound waves or shock pulses. In contrast to conventional absorption spectroscopy (such as UV/Vis spectroscopy), PAS allows the determination of absorption coefficients over several orders of magnitude, even in opaque and strongly scattering samples. Small absorption coefficients, such as those encountered during trace gas monitoring, can be detected with cells with relatively short pathlengths. Furthermore, PA techniques allow absorption spectra of solid samples (including powders, chips or large objects) to be determined, and they permit depth profiling of layered systems. These features mean that PAS can be used for on-line monitoring in technical processes without the need for sample preparation and to perform depth-resolved characterization of industrial products. This article gives an overview on PA excitation and detection schemes employed in analytical chemistry, and reviews applications of PAS in process analytical technology and characterization of industrial products.

  11. Fluorescence correlation spectroscopy in biology, chemistry, and medicine.

    Science.gov (United States)

    Perevoshchikova, I V; Kotova, E A; Antonenko, Y N

    2011-05-01

    This review describes the method of fluorescence correlation spectroscopy (FCS) and its applications. FCS is used for investigating processes associated with changes in the mobility of molecules and complexes and allows researchers to study aggregation of particles, binding of fluorescent molecules with supramolecular complexes, lipid vesicles, etc. The size of objects under study varies from a few angstroms for dye molecules to hundreds of nanometers for nanoparticles. The described applications of FCS comprise various fields from simple chemical systems of solution/micelle to sophisticated regulations on the level of living cells. Both the methodical bases and the theoretical principles of FCS are simple and available. The present review is concentrated preferentially on FCS applications for studies on artificial and natural membranes. At present, in contrast to the related approach of dynamic light scattering, FCS is poorly known in Russia, although it is widely employed in laboratories of other countries. The goal of this review is to promote the development of FCS in Russia so that this technique could occupy the position it deserves in modern Russian science.

  12. In vivo diffuse correlation spectroscopy investigation of the ocular fundus

    Science.gov (United States)

    Cattini, Stefano; Staurenghi, Giovanni; Gatti, Antonietta; Rovati, Luigi

    2013-05-01

    Diffuse correlation spectroscopy (DCS) measurements in vivo recorded from rabbits' ocular fundus are presented. Despite the complexity of these ocular tissues, we provide a clear and simple demonstration of the DCS abilities to analyze variations in physiological quantities of clinical interest. Indeed, the reported experimental activities demonstrate that DCS can reveal both choroidal-flow and temperature variations and detect nano- and micro-aggregates in ocular fundus circulation. Such abilities can be of great interest both in fundamental research and practical clinical applications. The proposed measuring system can be useful in: (a) monitoring choroidal blood flow variations, (b) determining the end-point for photo-dynamic therapy and transpupillary thermo therapy and, (c) managing the dye injection and determining an end-point for dye-enhanced photothrombosis. Moreover, it could allow both diagnoses when the presence of nano- and micro-aggregates is related to specific diseases and verifying the effects of nanoparticle injection in nanomedicine. Even though the reported results demonstrate the applicability of DCS to investigate ocular fundus, a detailed and accurate investigation of the limits of detection is beyond the scope of this article.

  13. Dynamic and unique nucleolar microenvironment revealed by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Park, Hweon; Han, Sung-Sik; Sako, Yasushi; Pack, Chan-Gi

    2015-03-01

    Organization and functions of the nucleolus is maintained by mobilities and interactions of nucleolar factors. Because the nucleolus is a densely packed structure, molecular crowding effects determined by the molecular concentrations and mobilities in the nucleolus should also be important for regulating nucleolar organization and functions. However, such molecular property of nucleolar organization is not fully understood. To understand the biophysical property of nucleolar organization, the diffusional behaviors of inert green fluorescent protein (GFP) oligomers with or without nuclear localization signals (NLSs) were analyzed under various conditions by fluorescence correlation spectroscopy. Our result demonstrates that the mobility of GFPs inside the nucleolus and the nucleoplasm can be represented by single free diffusion under normal conditions, even though the mobility in the nucleolus is considerably slower than that in the chromatin region. Moreover, the free diffusion of GFPs is found to be significantly size- and NLS-dependent only in the nucleolus. Interestingly, the mobility in the nucleolus is highly sensitive to ATP depletion, as well as actinomycin D (ActD) treatment. In contrast, the ultra-structure of the nucleolus was not significantly changed by ATP depletion but was changed by ActD treatment. These results suggest that the nucleolus behaves similarly to an open aqueous-phase medium with an increased molecular crowding effect that depends on both energy and transcription.

  14. Two-dimensional correlation spectroscopy in protein science, a summary for past 20years.

    Science.gov (United States)

    Wu, Yuqing; Zhang, Liping; Jung, Young Mee; Ozaki, Yukihiro

    2018-01-15

    Two-dimensional correlation spectroscopy (2DCOS) has been widely used to Infrared, Raman, Near IR, Optical Activity (ROA), Vibrational Circular Dichroism (VCD) and Fluorescence spectroscopy. In addition, several new developments, such as 2D hetero-correlation analysis, moving-window two-dimensional (MW2D) correlation, model based correlation (βν and kν correlation analyses) have also well incorporated into protein research. They have been used to investigate secondary structure, denaturation, folding and unfolding changes of protein, and have contributed greatly to the field of protein science. This review provides an overview of the applications of 2DCOS in the field of protein science for the past 20 year, especially to memory our old friend, Dr. Boguslawa Czarnik-Matusewicz, for her great contribution in this research field. The powerful utility of 2DCOS combined with various analytical techniques in protein studies is summarized. The noteworthy developments and perspective of 2DCOS in this field are highlighted finally. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy

    Science.gov (United States)

    Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander

    2014-07-01

    The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin "wrapping", i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.

  16. Assessment of sacrococcygeal pressure ulcers using diffuse correlation spectroscopy

    Science.gov (United States)

    Diaz, David; Lafontant, Alec; Neidrauer, Michael; Weingarten, Michael S.; DiMaria-Ghalili, Rose Ann; Fried, Guy W.; Rece, Julianne; Lewin, Peter A.; Zubkov, Leonid

    2016-03-01

    Microcirculation is essential for proper supply of oxygen and nutritive substances to the biological tissue and the removal of waste products of metabolism. The determination of microcirculatory blood flow (mBF) is therefore of substantial interest to clinicians for assessing tissue health; particularly in pressure ulceration and suspected deep tissue injury. The goal of this pilot clinical study was to assess deep-tissue pressure ulceration by non-invasively measuring mBF using Diffuse Correlation Spectroscopy (DCS). DCS provides information about the flow of red blood cells in the capillary network by measuring the temporal autocorrelation function of scattering light intensity. A novel optical probe was developed in order to obtain measurements under the load of the subject's body as pressure is applied (ischemia) and then released (reperfusion) on sacrococcygeal tissue in a hospital bed. Prior to loading measurements, baseline readings of the sacral region were obtained by measuring the subjects in a side-lying position. DCS measurements from the sacral region of twenty healthy volunteers have been compared to those of two patients who initially had similar non-blanchable redness. The temporal autocorrelation function of scattering light intensity of the patient whose redness later disappeared was similar to that of the average healthy subject. The second patient, whose redness developed into an advanced pressure ulcer two weeks later, had a substantial decrease in blood flow while under the loading position compared to healthy subjects. Preliminary results suggest the developed system may potentially predict whether non-blanchable redness will manifest itself as advanced ulceration or dissipate over time.

  17. Two-dimensional, high spatial resolution, solar spectroscopy using a correlation tracker. I. Correlation tracker description.

    Science.gov (United States)

    Ballesteros, E.; Collados, M.; Bonet, J. A.; Lorenzo, F.; Viera, T.; Reyes, M.; Rodriguez Hidalgo, I.

    1996-02-01

    In this paper the description of the Solar Correlation Tracker prototype built by the Instituto de Astrof isica de Canarias is presented. The system is mainly conceived as a solar image tranquilizer, although a scanning utility has also been included in order to displace the image on the final focal plane with sub-arcsecond steps, thus allowing to perform two-dimensional high spatial resolution spectroscopy. The behaviour of the different elements of the tracker is shown, as well as their influence in the performance of the system. The restrictions of the Absolute Differences algorithm, used to detect image motion when granulation fields are considered, are extensively discussed. Laboratory and telescope tests have demonstrated the capabilities of the system. The electronic components have been adapted to new optics and mechanics developed at the Kiepenheuer Institut to build an Advanced Solar Correlation Tracker. The final version of the system has been installed at the German VTT of the Spanish Observatorio del Teide. The tests carried out have demonstrated that a bandwidth of about 60Hz (for an attenuation factor of two) is achieved, which is approximately four times larger than that of previous Correlation Trackers, at the same level of attenuation.

  18. Raman spectroscopy and the spectral correlation index for predicting wound healing outcome: towards in vivo application

    Science.gov (United States)

    Berger, Adam G.; Crane, Nicole J.; Elster, Eric A.

    2016-03-01

    Combat wounds are sometimes confounded by healing complications that are not as prevalent in civilian wounds due to their high energy etiology. One complication of wound healing is dehiscence, where a surgically closed wound reopens after closure. This complication can have serious consequences for the patient, but knowledge about the molecular composition of the wound bed beyond what is readily visible may help clinicians mitigate these complications. It is necessary to develop techniques that can be used in vivo to assess and predict wound healing pointof- care so that care-takers can decide the best way to make informed clinical decisions regarding their patient's healing. Raman spectroscopy is a perfect candidate for predicting wound healing due to its ability to provide a detailed molecular fingerprint of the wound bed noninvasively. Here, we study the spectral correlation index, a measure of orthogonality, with ten reference tissue components to stratify wounds based on how they heal. We analyze these indexes over time to show the modulation of these tissue components over the wound healing process. Results show that qualitative observation of the spectra cannot reveal major differences between the dehisced and normal healing wounds, but the spectral correlation index can. Analysis of the spectral correlations across the wound healing process demonstrates the changes throughout the wound healing process, showing that early differences in tissue components may portend wound healing. Furthermore, Raman spectroscopy coupled with the spectral correlation index presents as a possible point-of-care tool for enabling discrimination of wounds with impaired healing.

  19. Drying process of sodium alginate films studied by two-dimensional correlation ATR-FTIR spectroscopy.

    Science.gov (United States)

    Xiao, Qian; Gu, Xiaohong; Tan, Suo

    2014-12-01

    Drying process of aqueous sodium alginate solutions at 50°C was investigated by ATR-FTIR spectroscopy and two-dimensional correlation infrared spectroscopy. Two-dimensional asynchronous spectrum at 1,800-1,350 cm(-1) wavenumber could be resolved into five separate bands, which were assigned to O-H bending vibrations in water (around 1,645 cm(-1)), antisymmetric and symmetric stretching vibrations of free and hydrogen-bonded COO(-) groups of alginate (around 1,595, 1,412, 1,572 and 1,390 cm(-1), respectively). As the drying process progressed, absorbance bands at around 1,127 and 1,035 cm(-1) significantly shifted to lower wavenumbers (1120 and 1027cm(-1), respectively). Suggesting that oxygen atoms at the 2th and 3th position in the pyranose ring might have hydrogen bonded with water or alginate chains. Further analysis using 2D asynchronous correlation spectroscopy between 1800-1500 and 1200-960 cm(-1) wavenumber regions revealed the sequence of spectral changes during the drying process. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Quantifying the cerebral metabolic rate of oxygen by combining diffuse correlation spectroscopy and time-resolved near-infrared spectroscopy.

    Science.gov (United States)

    Verdecchia, Kyle; Diop, Mamadou; Lee, Ting-Yim; St Lawrence, Keith

    2013-02-01

    Preterm infants are highly susceptible to ischemic brain injury; consequently, continuous bedside monitoring to detect ischemia before irreversible damage occurs would improve patient outcome. In addition to monitoring cerebral blood flow (CBF), assessing the cerebral metabolic rate of oxygen (CMRO2) would be beneficial considering that metabolic thresholds can be used to evaluate tissue viability. The purpose of this study was to demonstrate that changes in absolute CMRO2 could be measured by combining diffuse correlation spectroscopy (DCS) with time-resolved near-infrared spectroscopy (TR-NIRS). Absolute CBF was determined using bolus-tracking TR-NIRS to calibrate the DCS measurements. Cerebral venous blood oxygenation (SvO2) was determined by multiwavelength TR-NIRS measurements, the accuracy of which was assessed by directly measuring the oxygenation of sagittal sinus blood. In eight newborn piglets, CMRO2 was manipulated by varying the anesthetics and by injecting sodium cyanide. No significant differences were found between the two sets of SvO2 measurements obtained by TR-NIRS or sagittal sinus blood samples and the corresponding CMRO2 measurements. Bland-Altman analysis showed a mean CMRO2 difference of 0.0268 ± 0.8340 mLO2/100 g/min between the two techniques over a range from 0.3 to 4 mL O2/100 g/min.

  1. XAFS Spectroscopy : Fundamental Principles and Data Analysis

    NARCIS (Netherlands)

    Koningsberger, D.C.; Mojet, B.L.; Dorssen, G.E. van; Ramaker, D.E.

    2000-01-01

    The physical principles of XAFS spectroscopy are given at a sufficiently basic level to enable scientists working in the field of catalysis to critically evaluate articles dealing with XAFS studies on catalytic materials. The described data-analysis methods provide the basic tools for studying the

  2. Slow dynamics in an azopolymer molecular layer studied by x-ray photon correlation spectroscopy

    Science.gov (United States)

    Orsi, Davide; Cristofolini, Luigi; Fontana, Marco P.; Pontecorvo, Emanuele; Caronna, Chiara; Fluerasu, Andrei; Zontone, Federico; Madsen, Anders

    2010-09-01

    We report the results of x-ray photon correlation spectroscopy (XPCS) experiments on multilayers of a photosensitive azo-polymer which can be softened by photoisomerization. Time correlation functions have been measured at different temperatures and momentum transfers (q) and under different illumination conditions (dark, UV or visible). The correlation functions are well described by the Kohlrausch-Williams-Watts (KWW) form with relaxation times that are proportional to q-1 . The characteristic relaxation times follow the same Vogel-Fulcher-Tammann law describing the bulk viscosity of this polymer. The out-of-equilibrium relaxation dynamics following a UV photoperturbation are accelerated, which is in agreement with a fluidification effect previously measured by rheology. The transient dynamics are characterized by two times correlation function, and dynamical heterogeneity is evidenced by calculating the variance χ of the degree of correlation as a function of ageing time. A clear peak in χ appears at a well defined time τC which scales with q-1 and with the ageing time, in a similar fashion as previously reported in colloidal suspensions [O. Dauchot , Phys. Rev. Lett. 95, 265701 (2005)10.1103/PhysRevLett.103.265701]. From an accurate analysis of the correlation functions we could demonstrate a temperature and light dependent cross-over from compressed KWW to simple exponential behavior.

  3. Imaging spectroscopy for scene analysis

    CERN Document Server

    Robles-Kelly, Antonio

    2012-01-01

    This book presents a detailed analysis of spectral imaging, describing how it can be used for the purposes of material identification, object recognition and scene understanding. The opportunities and challenges of combining spatial and spectral information are explored in depth, as are a wide range of applications. Features: discusses spectral image acquisition by hyperspectral cameras, and the process of spectral image formation; examines models of surface reflectance, the recovery of photometric invariants, and the estimation of the illuminant power spectrum from spectral imagery; describes

  4. Quantitative Studies of Antimicrobial Peptide Pore Formation in Large Unilamellar Vesicles by Fluorescence Correlation Spectroscopy (FCS)

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Henriksen, Jonas Rosager; Andresen, Thomas Lars

    2013-01-01

    leakage of fluorescent probes of different sizes through transmembrane pores formed by each of the three representative antimicrobial peptides: melittin, magainin 2, and mastoparan X. The experimental results demonstrate that leakage assays based on fluorescence correlation spectroscopy offer new...... and detailed insight into the size and cooperative nature of transmembrane pores formed by antimicrobial peptides that is not available from the conventional quenching-based leakage assays....... highly warranted. Fluorescence correlation spectroscopy is a biophysical technique that can be used to quantify leakage of fluorescent probes of different sizes from large unilamellar vesicle, thereby potentially becoming such a new tool. However, the usage of fluorescence correlation spectroscopy...

  5. Correlation of proton MR spectroscopy and diffusion tensor imaging

    NARCIS (Netherlands)

    Irwan, R; Sijens, PE; Potze, JH; Oudkerk, M

    2005-01-01

    Proton magnetic resonance spectroscopy (H-1-MRS) provides indices of neuronal damage. Diffusion tensor imaging (DTI) relates to water diffusivity and fiber tract orientation. A method to compare H-1-MRS and DTI findings was developed, tested on phantom and applied on normal brain. Point-resolved spe

  6. Two-dimensional optical correlation spectroscopy applied to liquid/glass dynamics

    NARCIS (Netherlands)

    Lazonder, Kees; Pshenichnikov, Maxim S.; Wiersma, Douwe A.; Corkum, Paul; Jonas, David M.; Miller, R.J. Dwayne.; Weiner, Andrew M.

    2007-01-01

    Correlation spectroscopy was used to study the effects of temperature and phase changes on liquid and glass solvent dynamics. By assessing the eccentricity of the elliptic shape of a 2D optical correlation spectrum the value of the underlying frequency-frequency correlation function can be retrieved

  7. 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.)

  8. Application of Infrared Spectroscopy in Honey Analysis

    Directory of Open Access Journals (Sweden)

    Lidija Svečnjak

    2011-10-01

    Full Text Available The chemical composition and sensory characteristics vary significantly within different honey types. In order to determine botanical origin of honey, it is necessary to conduct rather complicated and time consuming analytical methods. IR spectroscopy has not yet been experimentally explored for honey analysis in Croatia, so the aim of this study was to determine claimed botanical origin of honey using both, standard and alternative (IR spectroscopy methods, for the purpose of their comparison, Altogether 144 samples of nine different unifloral honey types (black locust, sweet chestnut, lime, sage, heath, rosemary, lavender, mandarin and strawberry tree were collected from different Croatian regions directly from the beekeepers. In order to confirm claimed botanical origin of collected honey samples, melissopalinological analysis, moisture and electrical conductivity measurements were conducted. Infrared spectra of honey samples were recorded using the ABB Bomem MB102 Fourier-transform infrared spectrometer (FT-IR spectrometer. Selected IR spectral regions were analyzed by multivariate data analysis, principal components analysis (PCA. Preliminary PCA of IR spectra showed significant clustering of the analyzed samples by botanical origin. The results of this study showed that IR spectroscopy provides reliable results, but also represents rapid and cheap analytical tool in comparison to commonly used standard analytical methods. This research has also provided the first insight in infrared spectra of Croatian honeys.

  9. Probing lipid mobility of raft-exhibiting model membranes by fluorescence correlation spectroscopy

    NARCIS (Netherlands)

    Kahya, N; Scherfeld, D; Bacia, K; Poolman, B; Schwille, P

    2003-01-01

    Confocal fluorescence microscopy and fluorescence correlation spectroscopy (FCS) have been employed to investigate the lipid spatial and dynamic organization in giant unilamellar vesicles (GUVs) prepared from ternary mixtures of dioleoyl-phosphatidylcholine/sphingomyelin/ cholesterol. For a certain

  10. The use of fluorescence correlation spectroscopy to probe mitochondrial mobility and intramatrix protein diffusion

    NARCIS (Netherlands)

    P.H.G.M. Willems; H.G. Swarts; M.A. Hink; W.J.H. Koopman

    2009-01-01

    Within cells, functional changes in mitochondrial metabolic state are associated with alterations in organelle mobility, shape, and configuration of the mitochondrial matrix. Fluorescence correlation spectroscopy (FCS) is a technique that measures intensity fluctuations caused by single fluorescent

  11. 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....

  12. High-energy photoemission spectroscopy for investigating bulk electronic structures of strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Sekiyama, Akira, E-mail: sekiyama@mp.es.osaka-u.ac.jp [Division of Materials Physics, Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531, Osaka (Japan); SPring-8/RIKEN, Sayo 679-5148, Hyogo (Japan)

    2016-04-15

    Progress of high-energy photoemission spectroscopy for investigating the bulk electronic structures of strongly correlated electron systems is reviewed. High-resolution soft X-ray photoemission has opened the door for revealing the bulk strongly correlated spectral functions overcoming the surface contributions. More bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES) enables us to study the electronic structure with negligible surface contribution. The recent development of the polarization-dependent HAXPES is also described in this short review.

  13. Synchronous two-dimensional MIR correlation spectroscopy (2D-COS) as a novel method for screening smoke tainted wine.

    Science.gov (United States)

    Fudge, Anthea L; Wilkinson, Kerry L; Ristic, Renata; Cozzolino, Daniel

    2013-08-15

    In this study, two-dimensional correlation spectroscopy (2D-COS) combined with mid-infrared (MIR) spectroscopy was evaluated as a novel technique for the identification of spectral regions associated with smoke-affected wine, for the purpose of screening taint arising from grapevine exposure to smoke. Smoke-affected wines obtained from experimental and industry sources were analysed using MIR spectroscopy and chemometrics, and calibration models developed. 2D-COS analysis was used to generate synchronous data maps for red and white cask wines spiked with guaiacol, a marker of smoke taint. Correlations were observed at wavelengths that could be attributable to aromatic C-C stretching, i.e., between 1400 and 1500 cm(-1), indicative of volatile phenols. These results demonstrate the potential of 2D-COS as a rapid, high-throughput technique for the preliminary screening of smoke tainted wine.

  14. Spectroscopy: Developments in instrumentation and analysis

    Directory of Open Access Journals (Sweden)

    Dardenne, Pierre

    2002-03-01

    Full Text Available This review presents the characteristics, advantages, limits and potential of three spectroscopic techniques: near-infrared spectroscopy (NIR, mid-infrared spectroscopy (MIR and Raman spectroscopy. The theoretical aspects related with these techniques, the information that can supplied and the main features of the instrumentation are presented and briefly discussed. The last part of the review concerns the application of the spectroscopy to food analysis, with special emphasis on the lipid analysis. The illustrations and examples have been chosen to demonstrate the importance of spectroscopic techniques both in process (on-line control and in laboratories for the analysis of major or minor compounds.Este artículo de revisión presenta las características, ventajas, límites y potencial de tres técnicas espectroscópicas: las espectroscopias del infrarrojo cercano, del medio infrarrojo y Raman. Se presentan, y discuten brevemente, los aspectos teóricos relacionados con estas técnicas, la información que pueden suministrar, y las principales características de la instrumentación. La última parte de la revisión esta dedicada a las aplicaciones de la espectroscopia en análisis de alimentos, con especial énfasis en análisis de lípidos. La ilustraciones y los ejemplos se han elegido para demostrar la importancia de las técnicas espectroscópicas en los procesos en-línea y en los laboratorios en el análisis de componentes mayoritarios y minoritarios.

  15. Photon correlation spectroscopy of light scattered by eye lenses in in vivo conditions.

    OpenAIRE

    1991-01-01

    The application of photon correlation spectroscopy on mammalian eye lenses in vivo is revisited. It is shown that the use of a short wavelength laser type and a logarithmic correlator improves the signal-to-noise ratio to such an extent that shorter measurement times are possible without impairing the information content of the correlation function. Experimental correlation functions obtained in vivo on a rabbit eye lens, are analyzed with several techniques. The histogram approach is most su...

  16. Strong electronic correlation effects in coherent multidimensional nonlinear optical spectroscopy.

    Science.gov (United States)

    Karadimitriou, M E; Kavousanaki, E G; Dani, K M; Fromer, N A; Perakis, I E

    2011-05-12

    We discuss a many-body theory of the coherent ultrafast nonlinear optical response of systems with a strongly correlated electronic ground state that responds unadiabatically to photoexcitation. We introduce a truncation of quantum kinetic density matrix equations of motion that does not rely on an expansion in terms of the interactions and thus applies to strongly correlated systems. For this we expand in terms of the optical field, separate out contributions to the time-evolved many-body state due to correlated and uncorrelated multiple optical transitions, and use "Hubbard operator" density matrices to describe the exact dynamics of the individual contributions within a subspace of strongly coupled states, including "pure dephasing". Our purpose is to develop a quantum mechanical tool capable of exploring how, by coherently photoexciting selected modes, one can trigger nonlinear dynamics of strongly coupled degrees of freedom. Such dynamics could lead to photoinduced phase transitions. We apply our theory to the nonlinear response of a two-dimensional electron gas (2DEG) in a magnetic field. We coherently photoexcite the two lowest Landau level (LL) excitations using three time-delayed optical pulses. We identify some striking temporal and spectral features due to dynamical coupling of the two LLs facilitated by inter-Landau-level magnetoplasmon and magnetoroton excitations and compare to three-pulse four-wave-mixing (FWM) experiments. We show that these features depend sensitively on the dynamics of four-particle correlations between an electron-hole pair and a magnetoplasmon/magnetoroton, reminiscent of exciton-exciton correlations in undoped semiconductors. Our results shed light into unexplored coherent dynamics and relaxation of the quantum Hall system (QHS) and can provide new insight into non-equilibrium co-operative phenomena in strongly correlated systems.

  17. Magnetic resonance spectroscopy of normal appearing white matter in early relapsing-remitting multiple sclerosis: correlations between disability and spectroscopy

    Directory of Open Access Journals (Sweden)

    Foronda Jesus

    2004-06-01

    Full Text Available Abstract Background What currently appears to be irreversible axonal loss in normal appearing white matter, measured by proton magnetic resonance spectroscopy is of great interest in the study of Multiple Sclerosis. Our aim is to determine the axonal damage in normal appearing white matter measured by magnetic resonance spectroscopy and to correlate this with the functional disability measured by Multiple Sclerosis Functional Composite scale, Neurological Rating Scale, Ambulation Index scale, and Expanded Disability Scale Score. Methods Thirty one patients (9 male and 22 female with relapsing remitting Multiple Sclerosis and a Kurtzke Expanded Disability Scale Score of 0–5.5 were recruited from four hospitals in Andalusia, Spain and included in the study. Magnetic resonance spectroscopy scans and neurological disability assessments were performed the same day. Results A statistically significant correlation was found (r = -0.38 p Conclusions There is correlation between disability (measured by Expanded Disability Scale Score and the NAA/Cr ratio in normal appearing white matter. The lack of correlation between the NAA/Cr ratio and the Multiple Sclerosis Functional Composite score indicates that the Multiple Sclerosis Functional Composite is not able to measure irreversible disability and would be more useful as a marker in stages where axonal damage is not a predominant factor.

  18. Two-voxel localization sequence for in vivo two-dimensional homonuclear correlation spectroscopy

    NARCIS (Netherlands)

    Delmas, F; Beloeil, JC; van der Sanden, BPJ; Nicolay, K; Gillet, B

    The combination of localized 2D H-1 MR correlation spectroscopy and Hadamard encoding allows the simultaneous acquisition of multiple volumes of interest without an increase in the experimental duration, compared to single-voxel acquisition. In the present study, 2D correlation spectra were acquired

  19. Pushing X-Ray Photon Correlation Spectroscopy beyond the continuous frame rate limit

    Energy Technology Data Exchange (ETDEWEB)

    Dufresne, Eric M.; Narayanan, Suresh; Sandy, Alec R.; Kline, David M.; Zhang, Qingteng; Landahl, Eric C.; Ross, Steve

    2016-01-11

    We demonstrate delayed-frame X-ray Photon Correlation Spectroscopy with 120 microsecond time resolution, limited only by sample scattering rates, with a prototype Pixel-array detector capable of taking two image frames separated by 153 ns or less. Although the overall frame rate is currently limited to about 4 frame pairs per second, we easily measured millisecond correlation functions. This technology, coupled to the use of brighter synchrotrons such as Petra III or the NSLS-II should enable X-ray Photon Correlation Spectroscopy on microsecond time scales on a wider variety of materials.

  20. NMR spectroscopy study of local correlations in water

    Science.gov (United States)

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Vasi, Sebastiano; Stanley, H. Eugene

    2016-12-01

    Using nuclear magnetic resonance we study the dynamics of the hydrogen bond (HB) sub-domains in bulk and emulsified water across a wide temperature range that includes the supercooled regime. We measure the proton spin-lattice T1 and spin-spin T2 relaxation times to understand the hydrophilic interactions that determine the properties of water. We use (i) the Bloembergen, Purcell, and Pound approach that focuses on a single characteristic correlation time τc, and (ii) the Powles and Hubbard approach that measures the proton rotational time τθ. We find that when the temperature is low both relaxation times are strongly correlated when the HB lifetime is long, and that when the temperature is high a decrease in the HB lifetime destroys the water clusters and decouples the dynamic modes of the system.

  1. Superheavy-element spectroscopy: Correlations along element 115 decay chains

    Directory of Open Access Journals (Sweden)

    Rudolph D.

    2016-01-01

    Full Text Available Following a brief summary of the region of the heaviest atomic nuclei yet created in the laboratory, data on more than hundred α-decay chains associated with the production of element 115 are combined to investigate time and energy correlations along the observed decay chains. Several of these are analysed using a new method for statistical assessments of lifetimes in sets of decay chains.

  2. Two-dimensional Fourier transform ESR correlation spectroscopy

    Science.gov (United States)

    Gorcester, Jeff; Freed, Jack H.

    1988-04-01

    We describe our pulsed two-dimensional Fourier transform ESR experiment and demonstrate its applicabilty for the double resonance of motionally narrowed nitroxides. Multiple pulse irradiation of the entire nitroxide spectrum enables the correlation of two precessional periods, allowing observation of cross correlations between hyperfine lines introduced by magnetization transfer in the case of a three-pulse experiment (2D ELDOR), or coherence transfer in the case of a two-pulse experiment (COSY). Cross correlations are revealed by the presence of cross peaks which connect the autocorrelation lines appearing along the diagonal ω1=ω2. The amplitudes of these cross peaks are determined by the rates of magnetization transfer in the 2D ELDOR experiment. The density operator theory for the experiment is outlined and applied to the determination of Heisenberg exchange (HE) rates in 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d15 (PD-tempone) dissolved in toluene-d8. The quantitative accuracy of this experiment is established by comparison with the HE rate measured from the dependence of the spin echo T2 on nitroxide concentration.

  3. What information is contained in the fluorescence correlation spectroscopy curves, and where

    Science.gov (United States)

    Khadem, S. M. J.; Hille, C.; Löhmannsröben, H.-G.; Sokolov, I. M.

    2016-08-01

    We discuss the application of fluorescence correlation spectroscopy (FCS) for characterization of anomalous diffusion of tracer particles in crowded environments. While the fact of anomaly may be detected by the standard fitting procedure, the value of the exponent α of anomalous diffusion may be not reproduced correctly for non-Gaussian anomalous diffusion processes. The important information is however contained in the asymptotic behavior of the fluorescence autocorrelation function at long and at short times. Thus, analysis of the short-time behavior gives reliable values of α and of lower moments of the distribution of particles' displacement, which allows us to confirm or reject its Gaussian nature. The method proposed was tested on the FCS data obtained in artificial crowded fluids and in living cells.

  4. Permeability of anti-fouling PEGylated surfaces probed by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Daniels, Charlisa R; Reznik, Carmen; Kilmer, Rachel; Felipe, Mary Jane; Tria, Maria Celeste R; Kourentzi, Katerina; Chen, Wen-Hsiang; Advincula, Rigoberto C; Willson, Richard C; Landes, Christy F

    2011-11-01

    The present work reports on in situ observations of the interaction of organic dye probe molecules and dye-labeled protein with different poly(ethylene glycol) (PEG) architectures (linear, dendron, and bottle brush). Fluorescence correlation spectroscopy (FCS) and single molecule event analysis were used to examine the nature and extent of probe-PEG interactions. The data support a sieve-like model in which size-exclusion principles determine the extent of probe-PEG interactions. Small probes are trapped by more dense PEG architectures and large probes interact more with less dense PEG surfaces. These results, and the tunable pore structure of the PEG dendrons employed in this work, suggest the viability of electrochemically-active materials for tunable surfaces.

  5. Analysis of Negative Correlation Learning

    Institute of Scientific and Technical Information of China (English)

    Liu Yong; Zou Xiu-fen

    2003-01-01

    This paper describes negative correlation learning for designing neural network ensembles. Negative correlation learning has been firstly analysed in terms of minimising mutual information on a regression task. By ninimising the mutual information between variables extracted by two neural networks, they are forced to convey different information about some features of their input. Based on the decision boundaries and correct response sets, negative correlation learning has been further studied on two pattern classification problems. The purpose of examining the decision boundaries and the correct response sets is not only to illustrate the learning behavior of negative correlation learning, but also to cast light on how to design more effective neural network ensembles. The experimental results showed the decision boundary of the trained neural network ensemble by negative correlation learning is almost as good as the optimum decision boundary.

  6. Emerging techniques for soil analysis via mid-infrared spectroscopy

    Science.gov (United States)

    Linker, R.; Shaviv, A.

    2009-04-01

    . Shaviv and Z. Jianmin. In situ evaluation of net nitrification rate in Terra rossa soil using FTIR-ATR 15N tracing technique. Submitted to Applied Spectroscopy. 6. Jahn B. R., R. Linker R., S. K. Upadhyaya, A. Shaviv, D. C. Slaughter and I. Shmulevich (2006). Mid infrared spectroscopic determination of soil nitrate content. Biosystems Engineering, 94: 505-515. 7. Linker R., A. Kenny, A. Shaviv, L. Singher and I. Shmulevich (2004). FTIR/ATR nitrate determination of soil pastes using PCR, PLS and cross-correlation. Applied Spectroscopy, 58(5):516-520. 8. Linker R., I. Shmulevich, A. Kenny and A. Shaviv (2005). Soil identification and chemometrics for direct determination of nitrate in soils using FTIR-ATR mid-infrared spectroscopy. Chemosphere, 61: 652-658. 9. Linker R. and A. Shaviv (2006). Nitrate determination using anion exchange membrane and mid-infrared spectroscopy. Applied Spectroscopy, 60: 1008-1012. 10. Linker R., M. Weiner, I. Shmulevich and A. Shaviv (2006). Nitrate determination in soil pastes using FTIR-ATR mid-infrared spectroscopy: Improved accuracy via soil identification. Biosystems Engineering, 94: 111-118. 11. Linker, R. (2008). Determination of nitrate concentration in soil via photoacoustic spectroscopy analysis of ion exchange membranes. Applied Spectroscopy, 62: 302-305. 12. Shaviv, A., A. Kenny, A., I. Shmulevich, Y. Reichlin, L. Singer and A. Katzir (2003). IR fiberoptic systems for in situ and real time monitoring of nitrate in water and environmental systems. Environmental Science & Technology, 37: 2807-2812.

  7. Structure-Correlation NMR Spectroscopy for Macromolecules Using Repeated Bidirectional Photoisomerization of Azobenzene.

    Science.gov (United States)

    Nagashima, Toshio; Ueda, Keisuke; Nishimura, Chiaki; Yamazaki, Toshio

    2015-11-17

    Control over macromolecular structure offers bright potentials for manipulation of macromolecular functions. We here present structure-correlation NMR spectroscopy to analyze the correlation between polymorphic macromolecular structures driven by photoisomerization of azobenzene. The structural conversion of azobenzene was induced within the mixing time of a NOESY experiment using a colored light source, and the reverse structural conversion was induced during the relaxation delay using a light source of another color. The correlation spectrum between trans- and cis-azobenzene was then obtained. To maximize the efficiency of the bidirectional photoisomerization of azobenzene-containing macromolecules, we developed a novel light-irradiation NMR sample tube and method for irradiating target molecules in an NMR radio frequency (rf) coil. When this sample tube was used for photoisomerization of an azobenzene derivative at a concentration of 0.2 mM, data collection with reasonable sensitivity applicable to macromolecules was achieved. We performed isomerization of an azobenzene-cross-linked peptide within the mixing time of a NOESY experiment that produced cross-peaks between helix and random-coil forms of the peptide. Thus, these results indicate that macromolecular structure manipulation can be incorporated into an NMR pulse sequence using an azobenzene derivative and irradiation with light of two types of wavelengths, providing a new method for structural analysis of metastable states of macromolecules.

  8. Preliminary correlations of feature strength in spark-induced breakdown spectroscopy of bioaerosols with concentrations measured in laboratory analyses

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, Morgan S.; Bauer, Amy J. Ray

    2010-05-01

    We present preliminary results that show good correlation between elemental compositions of three bioaerosol samples, as measured in the laboratory by combustion analysis and with proton-induced x-ray emission and spark-induced breakdown spectroscopy signals integrated over the entire emission time profiles. Atomic (Ca, Al, Fe, and Si) and molecular features (CN, N2{sup +}, and OH) were observed compared to the laboratory data.

  9. Near infrared spectroscopy in natural products analysis.

    Science.gov (United States)

    Cozzolino, Daniel

    2009-06-01

    Several medicinal and herbal plants properties are related to individual compounds such as essential oils, terpenoids, flavonoids, which are present in natural products in low concentrations (e. g., ppm or ppb). For many years, the use of classical separation and chromatographic and spectrometric techniques such as high performance liquid chromatography (HPLC), gas chromatography (GC), liquid chromatography (LC) and mass spectrometry (MS) were initially used for the elucidation of isolated compounds from different plant matrices. Spectroscopic techniques in the infrared (IR) wavelength region of the electromagnetic spectrum have been used in the food industry to monitor and evaluate the composition of foods. Although Herschel discovered light in the near-infrared (NIR) region as early as 1800, most spectroscopists of the first half of the last century ignored it, in the belief that it lacked any analytical interest. However, during the last 40 years NIR spectroscopy has become one of the most attractive and used methods for analysis. This mini-review highlights recent applications of NIR spectroscopy to the qualitative and quantitative analysis of plant natural products.

  10. Distinction of three wood species by Fourier transform infrared spectroscopy and two-dimensional correlation IR spectroscopy

    Science.gov (United States)

    Huang, Anmin; Zhou, Qun; Liu, Junliang; Fei, Benhua; Sun, Suqin

    2008-07-01

    Dalbergia odorifera T. Chen, Pterocarpus santalinus L.F. and Pterocarpus soyauxii are three kinds of the most valuable wood species, which are hard to distinguish. In this paper, differentiation of D. odorifera, P. santalinus and P. soyauxii was carried out by using Fourier transform infrared spectroscopy (FT-IR), second derivative IR spectra and two-dimensional correlation infrared (2D-IR) spectroscopy. The three woods have their characteristic peaks in conventional IR spectra. For example, D. odorifera has obvious absorption peaks at 1640 and 1612 cm -1; P. santalinus has only one peak at 1614 cm -1; and P. soyauxii has one peak at 1619 cm -1 and one shoulder peak at 1597 cm -1. To enhance spectrum resolution and amplify the differences between the IR spectra of different woods, the second derivative technology was adopted to examine the three wood samples. More differences could be observed in the region of 800-1700 cm -1. Then, the thermal perturbation is applied to distinguish different wood samples in an easier way, because of the spectral resolution being enhanced by the 2D correlation spectroscopy. In the region of 1300-1800 cm -1, D. odorifera has five auto-peaks at 1518, 1575, 1594, 1620 and 1667 cm -1; P. santalinus has four auto-peaks at 1469, 1518, 1627 and 1639 cm -1 and P. soyauxii has only two auto-peaks at 1627 and 1639 cm -1. It is proved that the 2D correlation IR spectroscopy can be a new method to distinguish D. odorifera, P. santalinus and P. soyauxii.

  11. The X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Mori, Roberto; Caronna, Chiara; Chollet, Matthieu; Curtis, Robin; Damiani, Daniel S.; Defever, Jim; Feng, Yiping; Flath, Daniel L.; Glownia, James M. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Lee, Sooheyong [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Hasylab at DESY, Notkestrasse 85, D-22607 Hamburg (Germany); Lemke, Henrik T.; Nelson, Silke; Bong, Eric; Sikorski, Marcin; Song, Sanghoon; Srinivasan, Venkat; Stefanescu, Daniel; Zhu, Diling; Robert, Aymeric, E-mail: aymeric@slac.stanford.edu [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States)

    2015-04-14

    A description of the X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source is presented. Recent highlights illustrate the coherence properties of the source as well as some recent dynamics measurements and future directions. The X-ray Correlation Spectroscopy instrument is dedicated to the study of dynamics in condensed matter systems using the unique coherence properties of free-electron lasers. It covers a photon energy range of 4–25 keV. The intrinsic temporal characteristics of the Linac Coherent Light Source, in particular the 120 Hz repetition rate, allow for the investigation of slow dynamics (milliseconds) by means of X-ray photon correlation spectroscopy. Double-pulse schemes could probe dynamics on the picosecond timescale. A description of the instrument capabilities and recent achievements is presented.

  12. Neural correlates of belief-bias reasoning under time pressure: a near-infrared spectroscopy study.

    Science.gov (United States)

    Tsujii, Takeo; Watanabe, Shigeru

    2010-04-15

    The dual-process theory of reasoning explained the belief-bias effect, the tendency for human reasoning to be erroneously biased when logical conclusions are incongruent with belief about the world, by proposing a belief-based fast heuristic system and a logic-based slow analytic system. Although the claims were supported by behavioral findings that the belief-bias effect was enhanced when subjects were not given sufficient time for reasoning, the neural correlates were still unknown. The present study therefore examined the relationship between the time-pressure effect and activity in the inferior frontal cortex (IFC) during belief-bias reasoning using near-infrared spectroscopy (NIRS). Forty-eight subjects performed congruent and incongruent reasoning tasks, involving long-span (20 s) and short-span trials (10 s). Behavioral analysis found that only incongruent reasoning performance was impaired by the time-pressure of short-span trials. NIRS analysis found that the time-pressure decreased right IFC activity during incongruent trials. Correlation analysis showed that subjects with enhanced right IFC activity could perform better in incongruent trials, while subjects for whom the right IFC activity was impaired by the time-pressure could not maintain better reasoning performance. These findings suggest that the right IFC may be responsible for the time-pressure effect in conflicting reasoning processes. When the right IFC activity was impaired in the short-span trials in which subjects were not given sufficient time for reasoning, the subjects may rely on the fast heuristic system, which result in belief-bias responses. We therefore offer the first demonstration of neural correlates of time-pressure effect on the IFC activity in belief-bias reasoning.

  13. Correlating the amount of urea, creatinine, and glucose in urine from patients with diabetes mellitus and hypertension with the risk of developing renal lesions by means of Raman spectroscopy and principal component analysis

    Science.gov (United States)

    Bispo, Jeyse Aliana Martins; de Sousa Vieira, Elzo Everton; Silveira, Landulfo; Fernandes, Adriana Barrinha

    2013-08-01

    Patients with diabetes mellitus and hypertension (HT) diseases are predisposed to kidney diseases. The objective of this study was to identify potential biomarkers in the urine of diabetic and hypertensive patients through Raman spectroscopy in order to predict the evolution to complications and kidney failure. Urine samples were collected from control subjects (CTR) and patients with diabetes and HT with no complications (lower risk, LR), high degree of complications (higher risk, HR), and doing blood dialysis (DI). Urine samples were stored frozen (-20°C) before spectral analysis. Raman spectra were obtained using a dispersive spectrometer (830-nm, 300-mW power, and 20-s accumulation). Spectra were then submitted to principal component analysis (PCA) followed by discriminant analysis. The first PCA loading vectors revealed spectral features of urea, creatinine, and glucose. It has been found that the amounts of urea and creatinine decreased as disease evoluted from CTR to LR/HR and DI (PC1, p<0.05), and the amount of glucose increased in the urine of LR/HR compared to CTR (PC3, p<0.05). The discriminating model showed better overall classification rate of 70%. These results could lead to diagnostic information of possible complications and a better disease prognosis.

  14. Analysis of lipsticks using Raman spectroscopy.

    Science.gov (United States)

    Gardner, P; Bertino, M F; Weimer, R; Hazelrigg, E

    2013-10-10

    In this study, 80 lipsticks were obtained and evaluated using Raman spectroscopy at excitation wavelengths of 532 and 780 nm. Fluorescence severely limited analysis with the 532 nm line while the 780 nm line proved useful for all samples analyzed. It was possible to differentiate 95% of the lipsticks evaluated based on one or more Raman peaks. However, there were no peak trends observed that could be used to identify a manufacturer or categorize a sample. In situ analysis of lipstick smears was found to be possible even from several Raman active substrates, but was occasionally limited by background fluorescence and in extreme cases, photodegradation. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  15. Fluorescence correlation spectroscopy: Ultrasensitive detection in clear and turbid media

    Science.gov (United States)

    Tahari, Abdel Kader

    In this work, I describe the development of a simple, inexpensive, and powerful alternative technique to detect and analyze, without enrichment, extremely low concentrations of cells, bacteria, viruses, and protein aggregates in turbid fluids for clinical and biotechnological applications. The anticipated applications of this technique are many. They range from the determination of the somatic cell count in milk for the dairy industry, to the enumeration and characterization of microorganisms in environmental microbiology and the food industry, and to the fast and ultrasensitive detection of protein aggregates for the diagnosis of Alzheimer's and other neurodegenerative diseases in clinical medicine. A prototype instrument has been built and allowed the detection and quantification of particles down to a few per milliliter in short scanning times. It consists of a small microscope that has a horizontal geometry and a mechanical instrument that holds a cylindrical cuvette (1 cm in diameter) with two motors that provide a rotational and a slower vertical inversion motions. The illumination focus is centered about 200 mum from the wall of the cuvette inside the sample. The total volume that is explored is large (˜1ml/min for bright particles). The data is analyzed with a correlation filter program based on particle passage pattern recognition. I will also describe further work on improving the sensitivity of the technique, expanding it for multiple-species discrimination and enumeration, and testing the prototype device in actual clinical and biotechnological applications. The main clinical application of this project seeks to establish conditions and use this new technique to quantify and size-analyze oligomeric complexes of the Alzheimer's disease beta-peptide in cerebrospinal fluid and other body fluids as a molecular biomarker for persons at risk of Alzheimer's disease dementia. The technology could potentially be extended to the diagnosis and therapeutic

  16. Combined zero-quantum and spin-diffusion mixing for efficient homonuclear correlation spectroscopy under fast MAS: broadband recoupling and detection of long-range correlations.

    Science.gov (United States)

    Lu, Xingyu; Guo, Changmiao; Hou, Guangjin; Polenova, Tatyana

    2015-01-01

    Fast magic angle spinning (MAS) NMR spectroscopy is emerging as an essential analytical and structural biology technique. Large resolution and sensitivity enhancements observed under fast MAS conditions enable structural and dynamics analysis of challenging systems, such as large macromolecular assemblies and isotopically dilute samples, using only a fraction of material required for conventional experiments. Homonuclear dipolar-based correlation spectroscopy constitutes a centerpiece in the MAS NMR methodological toolbox, and is used essentially in every biological and organic system for deriving resonance assignments and distance restraints information necessary for structural analysis. Under fast MAS conditions (rotation frequencies above 35-40 kHz), dipolar-based techniques that yield multi-bond correlations and non-trivial distance information are ineffective and suffer from low polarization transfer efficiency. To overcome this limitation, we have developed a family of experiments, CORD-RFDR. These experiments exploit the advantages of both zero-quantum RFDR and spin-diffusion based CORD methods, and exhibit highly efficient and broadband dipolar recoupling across the entire spectrum, for both short-range and long-range correlations. We have verified the performance of the CORD-RFDR sequences experimentally on a U-(13)C,(15)N-MLF tripeptide and by numerical simulations. We demonstrate applications of 2D CORD-RFDR correlation spectroscopy in dynein light chain LC8 and HIV-1 CA tubular assemblies. In the CORD-RFDR spectra of LC8 acquired at the MAS frequency of 40 kHz, many new intra- and inter-residue correlations are detected, which were not observed with conventional dipolar recoupling sequences. At a moderate MAS frequency of 14 kHz, the CORD-RFDR experiment exhibits excellent performance as well, as demonstrated in the HIV-1 CA tubular assemblies. Taken together, the results indicate that CORD-RFDR experiment is beneficial in a broad range of conditions

  17. Wavelength selection based on two-dimensional correlation spectroscopy: application to noninvasive hemoglobin measurement by dynamic spectrum

    Science.gov (United States)

    Zhang, Shengzhao; Zhang, Linna; Li, Zhe; Li, Gang; Lin, Ling

    2016-10-01

    Dynamic spectrum (DS) method is one of the noninvasive approaches to measure the concentration of components in human blood based on the application of photoplethysmogram (PPG). One of the targets of the DS method is to predict the hemoglobin concentration in human blood noninvasively. In previous works, the usually used wavelength in the spectrum is 600-1100 nm which is regarded as the analysis "window" in human tissues. Optimum wavelengths for measurements of hemoglobin concentration have not been investigated yet. In order to improve the precision and reliability of hemoglobin measurements, a method for wavelength selection based on two-dimension (2D) correlation spectroscopy has been studied in this paper. By analyzing the 2D correlation spectroscopy which is generated by the DS data from subject with different blood hemoglobin concentrations, the wavelength bands which are sensible to hemoglobin concentrations in DS can be found. We developed calibration models between the DS data and hemoglobin concentration based on data from 57 subjects. The correlation coefficient is 0.68 in the test set of the model using the whole wavelength band (600-1100nm), while in the test set of the model using the selected wavelength band (850- 950nm) the correlation coefficient is 0.87. Results show the feasibility of wavelength selection utilizing 2Dcorrelation spectroscopy.

  18. Spectral analysis by correlation; Analyse spectrale par correlation

    Energy Technology Data Exchange (ETDEWEB)

    Fauque, J.M.; Berthier, D.; Max, J.; Bonnet, G. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-07-01

    The spectral density of a signal, which represents its power distribution along the frequency axis, is a function which is of great importance, finding many uses in all fields concerned with the processing of the signal (process identification, vibrational analysis, etc...). Amongst all the possible methods for calculating this function, the correlation method (correlation function calculation + Fourier transformation) is the most promising, mainly because of its simplicity and of the results it yields. The study carried out here will lead to the construction of an apparatus which, coupled with a correlator, will constitute a set of equipment for spectral analysis in real time covering the frequency range 0 to 5 MHz. (author) [French] La densite spectrale d'un signal qui represente la repartition de sa puissance sur l'axe des frequences est une fonction de premiere importance, constamment utilisee dans tout ce qui touche le traitement du signal (identification de processus, analyse de vibrations, etc...). Parmi toutes les methodes possibles de calcul de cette fonction, la methode par correlation (calcul de la fonction de correlation + transformation de Fourier) est tres seduisante par sa simplicite et ses performances. L'etude qui est faite ici va deboucher sur la realisation d'un appareil qui, couple a un correlateur, constituera un ensemble d'analyse spectrale en temps reel couvrant la gamme de frequence 0 a 5 MHz. (auteur)

  19. On the performance of bioanalytical fluorescence correlation spectroscopy measurements in a multiparameter photon-counting microscope

    Energy Technology Data Exchange (ETDEWEB)

    Mazouchi, Amir; Liu Baoxu; Bahram, Abdullah [Department of Physics, Institute for Optical Sciences, University of Toronto, Toronto (Canada); Department of Chemical and Physical Sciences, University of Toronto Mississauga, 3359 Mississauga Rd. N., Mississauga, ON, L5L 1C6 (Canada); Gradinaru, Claudiu C., E-mail: claudiu.gradinaru@utoronto.ca [Department of Physics, Institute for Optical Sciences, University of Toronto, Toronto (Canada); Department of Chemical and Physical Sciences, University of Toronto Mississauga, 3359 Mississauga Rd. N., Mississauga, ON, L5L 1C6 (Canada)

    2011-02-28

    Fluorescence correlation spectroscopy (FCS) data acquisition and analysis routines were developed and implemented in a home-built, multiparameter photon-counting microscope. Laser excitation conditions were investigated for two representative fluorescent probes, Rhodamine110 and enhanced green fluorescent protein (EGFP). Reliable local concentrations and diffusion constants were obtained by fitting measured FCS curves, provided that the excitation intensity did not exceed 20% of the saturation level for each fluorophore. Accurate results were obtained from FCS measurements for sample concentrations varying from pM to {mu}M range, as well as for conditions of high background signals. These experimental constraints were found to be determined by characteristics of the detection system and by the saturation behavior of the fluorescent probes. These factors actually limit the average number of photons that can be collected from a single fluorophore passing through the detection volume. The versatility of our setup and the data analysis capabilities were tested by measuring the mobility of EGFP in the nucleus of Drosophila cells under conditions of high concentration and molecular crowding. As a bioanalytical application, we studied by FCS the binding affinity of a novel peptide-based drug to the cancer-regulating STAT3 protein and corroborated the results with fluorescence polarization analysis derived from the same photon data.

  20. NIRS-BASED CORTICAL ACTIVATION ANALYSIS BY TEMPORAL CROSS CORRELATION

    Directory of Open Access Journals (Sweden)

    Raul Fernandez-Rojas

    2016-02-01

    Full Text Available In this study we present a method of signal processing to determine dominant channels in near infrared spectroscopy (NIRS. To compare measuring channels and identify delays between them, cross correlation is computed. Furthermore, to find out possible dominant channels, a visual inspection was performed. The outcomes demonstrated that the visual inspection exhibited evoked-related activations in the primary somatosensory cortex (S1 after stimulation which is consistent with comparable studies and the cross correlation study discovered dominant channels on both cerebral hemispheres. The analysis also showed a relationship between dominant channels and adjacent channels. For that reason, our results present a new method to identify dominant regions in the cerebral cortex using near-infrared spectroscopy. These findings have also implications in the decrease of channels by eliminating irrelevant channels for the experiment.

  1. Lignin analysis by FT-Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Agarwal, U.P.; Obst, J.R.; Cannon, A.B. [USDA Forest Products Lab., Madison, WI (United States)

    1996-10-01

    Traditional methods of lignin analysis, such as Klason (acid insoluble) lignin determinations, give satisfactory results, are widely accepted, and often are considered as standard analyses. However, the Klason lignin method is laborious and time consuming; it also requires a fairly large-amount of isolated analyte. FT-Raman spectroscopy offers an opportunity to simplify and speed up lignin analyses. FT-Raman data for a number of hardwoods (angiosperms) and softwoods (gymnosperms) are compared with data obtained using other analytical methods, including Klason lignin (with corrections for acid soluble lignin), acetyl bromide, and FT-IR determinations. In addition, 10 different specimens of Nothofagus dombeyii (chosen because of the widely varying syringyl:guaiacyl monomer compositions of their lignins) were also analyzed. Lignin monomer compositions were determined by thioacidolysis of by nitrobenzene oxidation.

  2. NMR spectroscopy: a tool for conformational analysis

    Energy Technology Data Exchange (ETDEWEB)

    Tormena, Claudio F.; Cormanich, Rodrigo A.; Rittner, Roberto, E-mail: rittner@iqm.unicamp.br [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica. Lab. de Fisico-Quimica Organica; Freitas, Matheus P. [Universidade Federal de Lavras (UFLA), MG (Brazil). Dept. de Qumica

    2011-07-01

    The present review deals with the application of NMR data to the conformational analysis of simple organic compounds, together with other experimental methods like infrared spectroscopy and with theoretical calculations. Each sub-section describes the results for a group of compounds which belong to a given organic function like ketones, esters, etc. Studies of a single compound, even of special relevance, were excluded since the main goal of this review is to compare the results for a given function, where different substituents were used or small structural changes were introduced in the substrate, in an attempt to disclose their effects in the conformational equilibrium. Moreover, the huge amount of data available in the literature, on this research field, imposed some limitations which will be detailed in the Introduction, but it can be reminded in advance that these limitations include mostly the period when these results were published. (author)

  3. Commercial counterboard for 10 ns software correlator for photon and fluorescence correlation spectroscopy

    Science.gov (United States)

    Molteni, Matteo; Ferri, Fabio

    2016-11-01

    A 10 ns time resolution, multi-tau software correlator, capable of computing simultaneous autocorrelation (A-A, B-B) and cross (A-B) correlation functions at count rates up to ˜10 MHz, with no data loss, has been developed in LabVIEW and C++ by using the National Instrument timer/counterboard (NI PCIe-6612) and a fast Personal Computer (PC) (Intel Core i7-4790 Processor 3.60 GHz ). The correlator works by using two algorithms: for large lag times (τ ≳ 1 μs), a classical time-mode scheme, based on the measure of the number of pulses per time interval, is used; differently, for τ ≲ 1 μs a photon-mode (PM) scheme is adopted and the correlation function is retrieved from the sequence of the photon arrival times. Single auto- and cross-correlation functions can be processed online in full real time up to count rates of ˜1.8 MHz and ˜1.2 MHz, respectively. Two autocorrelation (A-A, B-B) and a cross correlation (A-B) functions can be simultaneously processed in full real time only up to count rates of ˜750 kHz. At higher count rates, the online processing takes place in a delayed modality, but with no data loss. When tested with simulated correlation data and latex spheres solutions, the overall performances of the correlator appear to be comparable with those of commercial hardware correlators, but with several nontrivial advantages related to its flexibility, low cost, and easy adaptability to future developments of PC and data acquisition technology.

  4. Second Harmonic Correlation Spectroscopy: Theory and Principles for Determining Surface Binding Kinetics.

    Science.gov (United States)

    Sly, Krystal L; Conboy, John C

    2017-06-01

    A novel application of second harmonic correlation spectroscopy (SHCS) for the direct determination of molecular adsorption and desorption kinetics to a surface is discussed in detail. The surface-specific nature of second harmonic generation (SHG) provides an efficient means to determine the kinetic rates of adsorption and desorption of molecular species to an interface without interference from bulk diffusion, which is a significant limitation of fluorescence correlation spectroscopy (FCS). The underlying principles of SHCS for the determination of surface binding kinetics are presented, including the role of optical coherence and optical heterodyne mixing. These properties of SHCS are extremely advantageous and lead to an increase in the signal-to-noise (S/N) of the correlation data, increasing the sensitivity of the technique. The influence of experimental parameters, including the uniformity of the TEM00 laser beam, the overall photon flux, and collection time are also discussed, and are shown to significantly affect the S/N of the correlation data. Second harmonic correlation spectroscopy is a powerful, surface-specific, and label-free alternative to other correlation spectroscopic methods for examining surface binding kinetics.

  5. Laser correlation spectroscopy in the diagnosis of tumor diseases of the female reproductive system (preliminary results)

    Science.gov (United States)

    Korneeva, A. A.; Sekerskaya, M. N.; Zhordaniya, K. I.; Sapezhinskiy, V. S.; Golubtsova, N. V.; Barmashov, A. E.; Gonchukov, S. A.; Ivanov, A. V.

    2017-01-01

    The study of blood serum of cancer patients by laser correlation spectroscopy to determine the possibility of differentiation of benign and malignant tumors of the female reproductive system. We analyzed the data and assessed the applicability of the method mentioned above target.

  6. Two-dimensional optical correlation spectroscopy applied to liquid/glass dynamics

    NARCIS (Netherlands)

    Lazonder, Kees; Pshenichnikov, Maxim S.; Wiersma, Douwe A.

    2006-01-01

    Correlation spectroscopy was used to study the effects of temperature and phase changes on liquid and glass solvent dynamics. This method yielded both intuitive clues and a quantitative measure of the dynamics of the system. © 2006 Optical Society of America.

  7. Skin biochemical composition analysis by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Patricia Karen; Tosato, Maira Gaspar; Alves, Rani de Souza; Martin, Airton Abrahao; Favero, Priscila Pereira; Raniero, Leandro, E-mail: amartin@univap.br [Laboratorio de Espectroscopia Vibracional Biomedica, Instituto de Pesquisa e Desenvolvimento - IP e D, Universidade do Vale do Paraiba - UniVap, Sao Jose dos Campos, SP (Brazil)

    2012-09-15

    Skin aging is characterized by cellular and molecular alterations. In this context, Confocal Raman spectroscopy was used in vivo to measure these biochemical changes as function of the skin depth. In this study we have tried to correlate spectra from pure amino acids to in vivo spectra from volunteers with different ages. This study was performed on 32 volunteers: 11 from Group A (20-23 years), 11 from Group B (39-42 years) and 10 from Group C (59-62 years). For each group, the Raman spectra were measured on the surface (0 mm), 30 +- 3 mm and 60 +- 3 {mu}m below the surface. The results from intergroup comparisons showed that the oldest group had a prevalence of the tyrosine band, but it also presented a decrease in the band centered at 875 cm{sup -1} of pyrrolidone acid. The amide I band centered at 1637 cm{sup -1} that is attributed to collagen, as well as other proteins and lipid, showed a smaller amount of these biomolecules for Group C, which can be explained by the decrease in collagen concentration as a function of age. (author)

  8. Analysis of human nails by laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Hosseinimakarem, Zahra; Tavassoli, Seyed Hassan

    2011-05-01

    Laser-induced breakdown spectroscopy (LIBS) is applied to analyze human fingernails using nanosecond laser pulses. Measurements on 45 nail samples are carried out and 14 key species are identified. The elements detected with the present system are: Al, C, Ca, Fe, H, K, Mg, N, Na, O, Si, Sr, Ti as well as CN molecule. Sixty three emission lines have been identified in the spectrum that are dominated by calcium lines. A discriminant function analysis is used to discriminate among different genders and age groups. This analysis demonstrates efficient discrimination among these groups. The mean concentration of each element is compared between different groups. Correlation between concentrations of elements in fingernails is calculated. A strong correlation is found between sodium and potassium while calcium and magnesium levels are inversely correlated. A case report on high levels of sodium and potassium in patients with hyperthyroidism is presented. It is shown that LIBS could be a promising technique for the analysis of nails and therefore identification of health problems.

  9. AN IMPROVED ALGORITHM FOR DPIV CORRELATION ANALYSIS

    Institute of Scientific and Technical Information of China (English)

    WU Long-hua

    2007-01-01

    In a Digital Particle Image Velocimetry (DPIV) system, the correlation of digital images is normally used to acquire the displacement information of particles and give estimates of the flow field. The accuracy and robustness of the correlation algorithm directly affect the validity of the analysis result. In this article, an improved algorithm for the correlation analysis was proposed which could be used to optimize the selection/determination of the correlation window, analysis area and search path. This algorithm not only reduces largely the amount of calculation, but also improves effectively the accuracy and reliability of the correlation analysis. The algorithm was demonstrated to be accurate and efficient in the measurement of the velocity field in a flocculation pool.

  10. Spatial fluorescence cross correlation spectroscopy by means of a spatial light modulator

    CERN Document Server

    Blancquaert, Yoann; Derouard, Jacques; Delon, Antoine

    2008-01-01

    Spatial Fluorescence Cross Correlation Spectroscopy is a rarely investigated version of Fluorescence Correlation Spectroscopy, in which the fluorescence signals from differ-ent observation volumes are cross-correlated. In the reported experiments, two observation volumes, typically shifted by a few $\\mu$m, are produced, with a Spatial Light Modulator and two adjustable pinholes. We illustrated the feasibility and potentiality of this technique by: i) measuring molecular flows, in the range 0.2 - 1.5 $\\mu$m/ms, of solutions seeded with fluorescent nanobeads or rhodamine molecules (simulating active transport phenomenons); ii) investigating the perme-ability of phospholipidic membrane of Giant Unilamellar Vesicles versus hydrophilic or hydrophobic molecules (in that case the laser spots were set on both sides of the mem-brane). Theoretical descriptions are proposed together with a discussion about FCS based, alternative methods.

  11. Detrended cross-correlation analysis of electroencephalogram

    Institute of Scientific and Technical Information of China (English)

    Wang Jun; Zhao Da-Qing

    2012-01-01

    In the paper we use detrended cross-correlation analysis (DCCA) to study the electroencephalograms of healthy young subjects and healthy old subjects.It is found that the cross-correlation between different leads of a healthy young subject is larger than that of a healthy old subject.It was shown that the cross-correlation relationship decreases with the aging process and the phenomenon can help to diagnose whether the subject's brain function is healthy or not.

  12. [Classification of results of studying blood plasma with laser correlation spectroscopy based on semiotics of preclinical and clinical states].

    Science.gov (United States)

    Ternovoĭ, K S; Kryzhanovskiĭ, G N; Musiĭchuk, Iu I; Noskin, L A; Klopov, N V; Noskin, V A; Starodub, N F

    1998-01-01

    The usage of laser correlation spectroscopy for verification of preclinical and clinical states is substantiated. Developed "semiotic" classifier for solving the problems of preclinical and clinical states is presented. The substantiation of biological algorithms as well as the mathematical support and software for the proposed classifier for the data of laser correlation spectroscopy of blood plasma are presented.

  13. Phospholipid diffusion coefficients of cushioned model membranes determined via z-scan fluorescence correlation spectroscopy.

    Science.gov (United States)

    Sterling, Sarah M; Allgeyer, Edward S; Fick, Jörg; Prudovsky, Igor; Mason, Michael D; Neivandt, David J

    2013-06-25

    Model cellular membranes enable the study of biological processes in a controlled environment and reduce the traditional challenges associated with live or fixed cell studies. However, model membrane systems based on the air/water or oil/solution interface do not allow for incorporation of transmembrane proteins or for the study of protein transport mechanisms. Conversely, a phospholipid bilayer deposited via the Langmuir-Blodgett/Langmuir-Schaefer method on a hydrogel layer is potentially an effective mimic of the cross section of a biological membrane and facilitates both protein incorporation and transport studies. Prior to application, however, such membranes must be fully characterized, particularly with respect to the phospholipid bilayer phase transition temperature. Here we present a detailed characterization of the phase transition temperature of the inner and outer leaflets of a chitosan supported model membrane system. Specifically, the lateral diffusion coefficient of each individual leaflet has been determined as a function of temperature. Measurements were performed utilizing z-scan fluorescence correlation spectroscopy (FCS), a technique that yields calibration-free diffusion information. Analysis via the method of Wawrezinieck and co-workers revealed that phospholipid diffusion changes from raftlike to free diffusion as the temperature is increased-an insight into the dynamic behavior of hydrogel supported membranes not previously reported.

  14. Adsorption of Enrofloxacin on montmorillonite: two-dimensional correlation ATR/FTIR spectroscopy study.

    Science.gov (United States)

    Yan, Wei; Zhang, Jianfeng; Jing, Chuanyong

    2013-01-15

    Adsorption of Enrofloxacin (ENR) on minerals dominates the fate and transport of ENR in the environment. In this study, the sorption process of ENR on montmorillonite and the impact of dissolved organic matters (DOMs) on ENR-montmorillonite interactions were investigated using in situ ATR-FTIR spectroscopy and two-dimensional correlation analysis (2D-COS). Negative peaks were observed in the 3400-2900 cm(-1) region due to the loss of hydrated protons at montmorillonite surfaces. The primary characteristic peaks of adsorbed ENR molecules were resolved in the 1800-1100 cm(-1) range. The results of 2D-COS suggested the sorption process was initiated by the interaction of hydrated protons on montmorillonite surfaces with diverse moieties of ENR molecules depending on pH. The sorption mechanism of ENR was mainly cation exchange at acidic condition, charge neutralization at neutral condition, and proton transfer at alkaline condition. DOM could interact with piperazinyl amine groups of dissolved ENR, which changed the interaction sequence of ENR molecule with montmorillonite surfaces. Electrostatic interaction was the predominant driving force for the interaction between DOM and dissolved ENR. H-donor-acceptor interaction and π-π interaction may also be responsible to this interaction. Insights gained from this study improve our understandings on sorption mechanism of ENR and similar ionic organic pollutants in soil systems.

  15. Cell cycle-dependent mobility of Cdc45 determined in vivo by fluorescence correlation spectroscopy.

    Directory of Open Access Journals (Sweden)

    Ronan Broderick

    Full Text Available Eukaryotic DNA replication is a dynamic process requiring the co-operation of specific replication proteins. We measured the mobility of eGFP-Cdc45 by Fluorescence Correlation Spectroscopy (FCS in vivo in asynchronous cells and in cells synchronized at the G1/S transition and during S phase. Our data show that eGFP-Cdc45 mobility is faster in G1/S transition compared to S phase suggesting that Cdc45 is part of larger protein complex formed in S phase. Furthermore, the size of complexes containing Cdc45 was estimated in asynchronous, G1/S and S phase-synchronized cells using gel filtration chromatography; these findings complemented the in vivo FCS data. Analysis of the mobility of eGFP-Cdc45 and the size of complexes containing Cdc45 and eGFP-Cdc45 after UVC-mediated DNA damage revealed no significant changes in diffusion rates and complex sizes using FCS and gel filtration chromatography analyses. This suggests that after UV-damage, Cdc45 is still present in a large multi-protein complex and that its mobility within living cells is consistently similar following UVC-mediated DNA damage.

  16. Regularized canonical correlation analysis with unlabeled data

    Institute of Scientific and Technical Information of China (English)

    Xi-chuan ZHOU; Hai-bin SHEN

    2009-01-01

    In standard canonical correlation analysis (CCA), the data from definite datasets are used to estimate their canonical correlation. In real applications, for example in bilingual text retrieval, it may have a great portion of data that we do not know which set it belongs to. This part of data is called unlabeled data, while the rest from definite datasets is called labeled data. We propose a novel method called regularized canonical correlation analysis (RCCA), which makes use of both labeled and unlabeled samples. Specifically, we learn to approximate canonical correlation as if all data were labeled. Then. we describe a generalization of RCCA for the multi-set situation. Experiments on four real world datasets, Yeast, Cloud, Iris, and Haberman, demonstrate that,by incorporating the unlabeled data points, the accuracy of correlation coefficients can be improved by over 30%.

  17. Fluorescence correlation spectroscopy, a tool to investigate supramolecular dynamics: inclusion complexes of pyronines with cyclodextrin.

    Science.gov (United States)

    Al-Soufi, Wajih; Reija, Belén; Novo, Mercedes; Felekyan, Suren; Kühnemuth, Ralf; Seidel, Claus A M

    2005-06-22

    The control of supramolecular systems requires a thorough understanding of their dynamics on a molecular level. We present fluorescence correlation spectroscopy (FCS) as a powerful spectroscopic tool to study supramolecular dynamics with single molecule sensitivity. The formation of a supramolecular complex between beta-cyclodextrin (beta-CD) as host and pyronines Y (PY) and B (PB) as guests is studied by FCS. Global target analysis of full correlation curves with a newly derived theoretical model yields in a single experiment the fluorescence lifetimes and the diffusion coefficients of free and complexed guests and the rate constants describing the complexation dynamics. These data give insight into the recently published surprising fact that the association equilibrium constant of beta-CD with PY is much lower than that with the much bulkier guest PB. FCS shows that the stability of the complexes is dictated by the dissociation and not by the association process. The association rate constants are very similar for both guests and among the highest reported for this type of systems, although much lower than the diffusion-controlled collision rate constant. A two-step model including the formation of an encounter complex allows one to identify the unimolecular inclusion reaction as the rate-limiting step. Simulations indicate that this step may be controlled by geometrical and orientational requirements. These depend on critical molecular dimensions which are only weakly affected by the different alkyl substituents of PY and PB. Diffusion coefficients of PY and PB, of their complexes, and of rhodamine 110 are given and compared to those of similar molecules.

  18. General correlation and partial correlation analysis in finding interactions: with Spearman rank correlation and proportion correlation as correlation measures

    OpenAIRE

    WenJun Zhang; Xin Li

    2015-01-01

    Between-taxon interactions can be detected by calculating the sampling data of taxon sample type. In present study, Spearman rank correlation and proportion correlation are chosen as the general correlation measures, and their partial correlations are calculated and compared. The results show that for Spearman rank correlation measure, in all predicted candidate direct interactions by partial correlation, about 16.77% (x, 0-45.4%) of them are not successfully detected by Spearman rank correla...

  19. Nuclear dynamical correlation effects in X-ray spectroscopy from a time-domain perspective

    CERN Document Server

    Karsten, Sven; Aziz, Saadullah G; Bokarev, Sergey I; Kühn, Oliver

    2016-01-01

    To date X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we focus on nuclear dynamical effects in X-ray spectra and develop a rigorous time-correlation method employing ground state molecular dynamics simulations. The importance of nuclear correlation phenomena is demonstrated by comparison against the results from the conventional sampling approach for gas phase water. In contrast to the first-order absorption, second-order resonant inelastic scattering spectra exhibit pronounced fingerprints of nuclear motions. The developed methodology does not depend on the accompanying electronic structure method in principle as well as on the spectral range and, thus, can be applied to, e.g., UV and X-ray photo-electron and Auger spectroscopies.

  20. A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

    CERN Document Server

    Karsten, Sven; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

    2016-01-01

    Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten \\textit{et al.} arXiv:1608.03436], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol on the examples of gas phase and bulk water. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation ...

  1. Easy measurement of diffusion coefficients of EGFP-tagged plasma membrane proteins using k-space Image Correlation Spectroscopy

    DEFF Research Database (Denmark)

    Christensen, Eva Arnspang; Koffman, Jennifer Skaarup; Marlar, Saw

    2014-01-01

    Lateral diffusion and compartmentalization of plasma membrane proteins are tightly regulated in cells and thus, studying these processes will reveal new insights to plasma membrane protein function and regulation. Recently, k-Space Image Correlation Spectroscopy (kICS)1 was developed to enable...... to the correlation function yields the diffusion coefficient. This paper provides a step-by-step guide to the image analysis and measurement of diffusion coefficients via kICS. First, a high frame rate image sequence of a fluorescently labeled plasma membrane protein is acquired using a fluorescence microscope Then...... routine measurements of diffusion coefficients directly from images of fluorescently tagged plasma membrane proteins, that avoided systematic biases introduced by probe photophysics. Although the theoretical basis for the analysis is complex, the method can be implemented by nonexperts using a freely...

  2. The use of photon correlation spectroscopy method for determining diffusion coefficient in brine and herring flesh

    Directory of Open Access Journals (Sweden)

    Shumanova M.V.

    2015-03-01

    Full Text Available The process fish salting has been studied by the method of photon correlation spectroscopy; the distribution of salt concentration in the solution and herring flesh with skin has been found, diffusion coefficients and salt concentrations used for creating a mathematical model of the salting technology have been worked out; the possibility of determination by this method the coefficient of dynamic viscosity of solutions and different media (minced meat etc. has been considered

  3. Fluorescence correlation spectroscopy in small cytosolic compartments depends critically on the diffusion model used.

    OpenAIRE

    Gennerich, A.; Schild, D.

    2000-01-01

    Fluorescence correlation spectroscopy (FCS) is a powerful technique for measuring low concentrations of fluorescent molecules and their diffusion constants. In the standard case, fluorescence fluctuations are measured in an open detection volume defined by the confocal optics. However, if FCS measurements are carried out in cellular processes that confine the detection volume, the standard FCS model leads to erroneous results. In this paper, we derive a modified FCS model that takes into acco...

  4. Chemical-shift-resolved ¹⁹F NMR spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-enhanced diagonal suppressed correlation spectroscopy.

    Science.gov (United States)

    George, Christy; Chandrakumar, Narayanan

    2014-08-01

    Overhauser-DNP-enhanced homonuclear 2D (19)F correlation spectroscopy with diagonal suppression is presented for small molecules in the solution state at moderate fields. Multi-frequency, multi-radical studies demonstrate that these relatively low-field experiments may be operated with sensitivity rivalling that of standard 200-1000 MHz NMR spectroscopy. Structural information is accessible without a sensitivity penalty, and diagonal suppressed 2D NMR correlations emerge despite the general lack of multiplet resolution in the 1D ODNP spectra. This powerful general approach avoids the rather stiff excitation, detection, and other special requirements of high-field (19)F NMR spectroscopy.

  5. Correlated Data Analysis Modeling, Analytics, and Applications

    CERN Document Server

    Song, Peter X-K

    2007-01-01

    Presents developments in correlated data analysis. This book provides a systematic treatment for the topic of estimating functions. In addition to marginal models and mixed-effects models, it covers topics on joint regression analysis based on Gaussian copulas and generalized state space models for longitudinal data from long time series.

  6. Regularized Multiple-Set Canonical Correlation Analysis

    Science.gov (United States)

    Takane, Yoshio; Hwang, Heungsun; Abdi, Herve

    2008-01-01

    Multiple-set canonical correlation analysis (Generalized CANO or GCANO for short) is an important technique because it subsumes a number of interesting multivariate data analysis techniques as special cases. More recently, it has also been recognized as an important technique for integrating information from multiple sources. In this paper, we…

  7. Generalized canonical correlation analysis with missing values

    NARCIS (Netherlands)

    M. van de Velden (Michel); Y. Takane

    2009-01-01

    textabstractTwo new methods for dealing with missing values in generalized canonical correlation analysis are introduced. The first approach, which does not require iterations, is a generalization of the Test Equating method available for principal component analysis. In the second approach, missing

  8. Direct Quantification of Solute Diffusivity in Agarose and Articular Cartilage Using Correlation Spectroscopy.

    Science.gov (United States)

    Shoga, Janty S; Graham, Brian T; Wang, Liyun; Price, Christopher

    2017-06-13

    Articular cartilage is an avascular tissue; diffusive transport is critical for its homeostasis. While numerous techniques have been used to quantify diffusivity within porous, hydrated tissues and tissue engineered constructs, these techniques have suffered from issues regarding invasiveness and spatial resolution. In the present study, we implemented and compared two separate correlation spectroscopy techniques, fluorescence correlation spectroscopy (FCS) and raster image correlation spectroscopy (RICS), for the direct, and minimally-invasive quantification of fluorescent solute diffusion in agarose and articular cartilage. Specifically, we quantified the diffusional properties of fluorescein and Alexa Fluor 488-conjugated dextrans (3k and 10k) in aqueous solutions, agarose gels of varying concentration (i.e. 1, 3, 5%), and in different zones of juvenile bovine articular cartilage explants (i.e. superficial, middle, and deep). In agarose, properties of solute diffusion obtained via FCS and RICS were inversely related to molecule size, gel concentration, and applied strain. In cartilage, the diffusional properties of solutes were similarly dependent upon solute size, cartilage zone, and compressive strain; findings that agree with work utilizing other quantification techniques. In conclusion, this study established the utility of FCS and RICS as simple and minimally invasive techniques for quantifying microscale solute diffusivity within agarose constructs and articular cartilage explants.

  9. Direct observation of T4 lysozyme hinge-bending motion by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Yirdaw, Robel B; McHaourab, Hassane S

    2012-10-01

    Bacteriophage T4 Lysozyme (T4L) catalyzes the hydrolysis of the peptidoglycan layer of the bacterial cell wall late in the infection cycle. It has long been postulated that equilibrium dynamics enable substrate access to the active site located at the interface between the N- and C-terminal domains. Crystal structures of WT-T4L and point mutants captured a range of conformations that differ by the hinge-bending angle between the two domains. Evidence of equilibrium between open and closed conformations in solution was gleaned from distance measurements between the two domains but the nature of the equilibrium and the timescale of the underlying motion have not been investigated. Here, we used fluorescence fluctuation spectroscopy to directly detect T4L equilibrium conformational fluctuations in solution. For this purpose, Tetramethylrhodamine probes were introduced at pairs of cysteines in regions of the molecule that undergo relative displacement upon transition from open to closed conformations. Correlation analysis of Tetramethylrhodamine intensity fluctuations reveals hinge-bending motion that changes the relative distance and orientation of the N- and C-terminal domains with ≅ 15 μs relaxation time. That this motion involves interconversion between open and closed conformations was further confirmed by the dampening of its amplitude upon covalent substrate trapping. In contrast to the prevalent two-state model of T4L equilibrium, molecular brightness and number of particles obtained from cumulant analysis suggest that T4L populates multiple intermediate states, consistent with the wide range of hinge-bending angles trapped in the crystal structure of T4L mutants.

  10. Refined Multifractal Cross-Correlation Analysis

    CERN Document Server

    Oświȩcimka, Paweł; Forczek, Marcin; Jadach, Stanisław; Kwapień, Jarosław

    2013-01-01

    We propose a modified algorithm - Multifractal Cross-Correlation Analysis (MFCCA) - that is able to consistently identify and quantify multifractal cross-correlations between two time series. Our motivation for introducing this algorithm is that the already existing methods like MF-DXA have serious limitations for most of the signals describing complex natural processes. The principal component of the related improvement is proper incorporation of the sign of fluctuations. We present a broad analysis of the model fractal stochastic processes as well as of the real-world signals and show that MFCCA is a robust tool and allows a reliable quantification of the cross-correlative structure of analyzed processes. We, in particular, analyze a relation between the generalized Hurst exponent and the MFCCA parameter $\\lambda_q$. This relation provides information about the character of potential multifractality in cross-correlations of the processes under study and thus enables selective insight into their dynamics. Us...

  11. Two-dimensional hetero-spectral mid-infrared and near-infrared correlation spectroscopy for discrimination adulterated milk.

    Science.gov (United States)

    Yang, Renjie; Liu, Rong; Dong, Guimei; Xu, Kexin; Yang, Yanrong; Zhang, Weiyu

    2016-03-15

    A new approach for discriminant analysis of adulterated milk is proposed based on two-dimensional (2D) hetero-spectral near-infrared (NIR) and mid-infrared (IR) correlation spectroscopy along with multi-way partial least squares discriminant analysis (NPLS-DA). NIR transmittance spectra and IR attenuated total reflection spectra of pure milk and adulterated milk with level of melamine varying from 0.03 to 3 g·L(-1) were collected at room temperature. The synchronous 2D hetero-spectral IR/NIR correlation spectra of all samples were calculated to build a discriminant model to classify adulterated milk and pure milk. Also, the NPLS-DA models were built based on synchronous 2D homo-spectral NIR/NIR and IR/IR correlation spectra, respectively. Comparison results showed that the NPLS-DA model could provide better results using 2D hetero-spectral IR/NIR correlation spectra than using 2D homo-spectral NIR/NIR and 2D IR/IR correlation spectra.

  12. Two-dimensional hetero-spectral mid-infrared and near-infrared correlation spectroscopy for discrimination adulterated milk

    Science.gov (United States)

    Yang, Renjie; Liu, Rong; Dong, Guimei; Xu, Kexin; Yang, Yanrong; Zhang, Weiyu

    2016-03-01

    A new approach for discriminant analysis of adulterated milk is proposed based on two-dimensional (2D) hetero-spectral near-infrared (NIR) and mid-infrared (IR) correlation spectroscopy along with multi-way partial least squares discriminant analysis (NPLS-DA). NIR transmittance spectra and IR attenuated total reflection spectra of pure milk and adulterated milk with level of melamine varying from 0.03 to 3 g·L- 1 were collected at room temperature. The synchronous 2D hetero-spectral IR/NIR correlation spectra of all samples were calculated to build a discriminant model to classify adulterated milk and pure milk. Also, the NPLS-DA models were built based on synchronous 2D homo-spectral NIR/NIR and IR/IR correlation spectra, respectively. Comparison results showed that the NPLS-DA model could provide better results using 2D hetero-spectral IR/NIR correlation spectra than using 2D homo-spectral NIR/NIR and 2D IR/IR correlation spectra.

  13. Raster image correlation spectroscopy as a novel tool for the quantitative assessment of protein diffusional behaviour in solution.

    Science.gov (United States)

    Hamrang, Zahra; Pluen, Alain; Zindy, Egor; Clarke, David

    2012-06-01

    The application of raster image correlation spectroscopy (RICS) as a tool for the characterisation of protein diffusion was assessed using a model protein, bovine serum albumin (BSA), as a function of formulation and denaturing conditions. RICS results were also validated against dynamic light scattering and fluorescence correlation spectroscopy. Results from this study demonstrate correlation between outputs obtained from the three experimental techniques. Ionic strength independency was observed at pH 7, and a reduction in the corresponding diffusion coefficients was noted at pH 4.5 for 1 µM BSA-Alexa Fluor 488. Conversely, at pH 5.2, higher-concentration samples exhibited ionic strength dependency. Buffer composition, sample pretreatment, thermal denaturation and freeze-thaw cycling were also found to influence RICS output, with a reduction in the diffusion coefficient and the number of particles observed for both pH values. In conclusion, RICS analysis of images acquired using a commercial confocal microscope offers a potential scope for application to both quantitative and qualitative characterisation of macromolecular behaviour in solution. Copyright © 2012 Wiley Periodicals, Inc.

  14. Modeling for proximate analysis and heating value of torrefied biomass with vibration spectroscopy.

    Science.gov (United States)

    Via, Brian K; Adhikari, Sushil; Taylor, Steve

    2013-04-01

    The goal of this study was to characterize the changes in biomass with torrefaction for near infrared reflectance (NIR) and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy for sweetgum, loblolly pine, and switchgrass. Calibration models were built for the prediction of proximate analysis after torrefaction. Two dimensional (2D) correlation spectroscopy between NIR and FTIR was found to precisely explain the depolymerization at key functional groups located within hemicellulose, cellulose, and lignin. This novel 2D technique also demonstrated the possibility of assigning key NIR wavenumbers based on mid IR spectra. Hemicellulose based wavenumbers were found to be most sensitive to torrefaction severity with complete degradation at 250-275°C. Lignin associated wavenumbers exhibited the least degradation to severity but was still detected with 2D correlation spectroscopy. Finally, calibration models for proximate analysis were performed and while both systems could be used for rapid monitoring, NIR performed better than FTIR.

  15. Could near-infrared Raman spectroscopy be correlated with the METAVIR scores in liver lesions induced by hepatitis C virus?

    Science.gov (United States)

    Gaggini, Marcio Cesar Reino; Navarro, Ricardo Scarparo; Stefanini, Aline Reis; Sano, Rubens Sato; Silveira, Landulfo

    2013-03-01

    The liver is responsible for several basic functions in human body how the syntheses of the most main proteins and degradation process of toxins, drugs and alcohols. In present days, the viral hepatitis C is one of the highest causes of chronic hepatic illness worldwide, affecting around 3% of the world population. The liver biopsy is considered the gold standard for diagnosing hepatic fibrosis; however, the biopsies may be questioned because of potential sampling error, morbidity, possible mortality and relatively high costs. Spectroscopy techniques such as Raman spectroscopy have been used for diagnosis of human tissues, with favorable results. Raman spectroscopy has been employed to distinguish normal from hepatic lesions through spectral features mainly of proteins, nucleic acids and lipids. In this study, eleven patients with diagnoses of chronic hepatitis C underwent hepatic biopsies having two hepatic fragments collected: one was scored through METAVIR system and the other one was submitted to near-infrared Raman spectroscopy using a dispersive spectrometer (830 nm wavelength, 300 mW laser power and 20 s exposure time). Five spectra were collected in each fragment and submitted to Principal Components Analysis (PCA). Results showed a good correlation between the Raman spectroscopy features and the stage of hepatic fibrosis and inflammation. PCA showed that samples with higher degree of fibrosis presented higher amount of protein features (collagen), whereas samples of higher degree of inflammation presented higher features of hemoglobin, in accordance to the expected evolution of the chronic hepatitis. It has been found an important biomarker for the beginning of hepatic lesion (quinone) with a spectral feature at 1595 cm-1.

  16. Recent progress of probing correlated electron states by point contact spectroscopy

    Science.gov (United States)

    Lee, Wei-Cheng; Greene, Laura H.

    2016-09-01

    We review recent progress in point contact spectroscopy (PCS) to extract spectroscopic information out of correlated electron materials, with the emphasis on non-superconducting states. PCS has been used to detect bosonic excitations in normal metals, where signatures (e.g. phonons) are usually less than 1% of the measured conductance. In the superconducting state, point contact Andreev reflection (PCAR) has been widely used to study properties of the superconducting gap in various superconductors. It has been well-recognized that the corresponding conductance can be accurately fitted by the Blonder-Tinkham-Klapwijk (BTK) theory in which the AR occurring near the point contact junction is modeled by three parameters; the superconducting gap, the quasiparticle scattering rate, and a dimensionless parameter, Z, describing the strength of the potential barrier at the junction. AR can be as large as 100% of the background conductance, and only arises in the case of superconductors. In the last decade, there have been more and more experimental results suggesting that the point contact conductance could reveal new features associated with the unusual single electron dynamics in non-superconducting states, shedding a new light on exploring the nature of the competing phases in correlated materials. To correctly interpret these new features, it is crucial to re-examine the modeling of the point contact junctions, the formalism used to describe the single electron dynamics particularly in point contact spectroscopy, and the physical quantity that should be computed to understand the conductance. We will summarize the theories for point contact spectroscopy developed from different approaches and highlight these conceptual differences distinguishing point contact spectroscopy from tunneling-based probes. Moreover, we will show how the Schwinger-Kadanoff-Baym-Keldysh (SKBK) formalism together with the appropriate modeling of the nano-scale point contacts randomly distributed

  17. Stress analysis of local blisters coupling Raman spectroscopy and X-ray diffraction. Correlation between experimental results and continuous damage modelling for buckling in an iron oxide/phosphated iron system

    Energy Technology Data Exchange (ETDEWEB)

    Panicaud, B., E-mail: benoit.panicaud@utt.fr [Universite de Technologie de Troyes (UTT), CNRS UMR 6279, 12 rue Marie Curie, 10010 Troyes (France); Grosseau-Poussard, J.L. [LEMMA, Pole Sciences et Technologie, Universite de La Rochelle, Av. M. Crepeau, 17042 La Rochelle Cedex (France)

    2010-12-01

    In this present work, local stress development in the iron oxide layers growing on phosphated {alpha}-Fe at 400 deg. C in ambient air is investigated by Raman spectroscopy. Coupled with X-ray diffraction it enables to obtain directly local stresses' maps in the oxide layers. Use of Raman spectroscopy allows obtaining better accuracy on mechanical behaviour at local scale. This characterisation technique is very useful to study systems developing mechanical heterogeneities on surface, especially in case of buckling phenomenon. Investigations on particular local blisters have been done to measure some characteristic lengths at local scale. From local measurements, we are able to evaluate general effect of buckling from simplified scale transition. So, a macroscopic approach has been performed to calculate global stress evolution of the oxide layer, based on continuous damage mechanics. Consequently, it leads to good comparison between modelling and experimental values (global stresses versus oxidation time) in {alpha}-Fe{sub 2}O{sub 3} oxide.

  18. Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials

    OpenAIRE

    Ying-Sing Li; Church, Jeffrey S.

    2014-01-01

    Raman scattering is an inelastic phenomenon. Although its cross section is very small, recent advances in electronics, lasers, optics, and nanotechnology have made Raman spectroscopy suitable in many areas of application. The present article reviews the applications of Raman spectroscopy in food and drug analysis and inspection, including those associated with nanomaterials. Brief overviews of basic Raman scattering theory, instrumentation, and statistical data analysis are also given. With t...

  19. Structural modifications of Tilia cordata wood during heat treatment investigated by FT-IR and 2D IR correlation spectroscopy

    Science.gov (United States)

    Popescu, Maria-Cristina; Froidevaux, Julien; Navi, Parviz; Popescu, Carmen-Mihaela

    2013-02-01

    It is known that heat treatment of wood combined with a low percent of relative humidity causes transformations in the chemical composition of it. The modifications and/or degradation of wood components occur by hydrolysis, oxidation, and decarboxylation reactions. The aim of this study was to give better insights on wood chemical modifications during wood heat treatment under low temperature at about 140 °C and 10% percentage of relative humidity, by infrared, principal component analysis and two dimensional infrared correlation spectroscopy. For this purpose, hardwood samples of lime (Tilia cordata) were investigated and analysed. The infrared spectra of treated samples were compared with the reference ones, the most important differences being observed in the "fingerprint" region. Due to the complexity of this region, which have contributions from all the wood constituents the chemical changes during hydro-thermal treatment were examined in detail using principal component analysis and 2D IR correlation spectroscopy. By hydro-thermal treatment of wood results the formation of acetic acid, which catalyse the hydrolysis reactions of hemicelluloses and amorphous cellulose. The cleavage of the β-O-4 linkages and splitting of the aliphatic methoxyl chains from the aromatic lignin ring was also observed. For the first treatment interval, a higher extent of carbohydrates degradation was observed, then an increase of the extent of the lignin degradation also took place.

  20. Fluorescence correlation spectroscopy diffusion laws in the presence of moving nanodomains

    Science.gov (United States)

    Šachl, Radek; Bergstrand, Jan; Widengren, Jerker; Hof, Martin

    2016-03-01

    It has been shown by means of simulations that spot variation fluorescence correlation spectroscopy (sv-FCS) can be used for the identification and, to some extent, also characterization of immobile lipid nanodomains in model as well as cellular plasma membranes. However, in these simulations, the nanodomains were assumed to be stationary, whereas they actually tend to move like the surrounding lipids. In the present study, we investigated how such domain movement influences the diffusion time/spot-size dependence observed in FCS experiments, usually referred to as ‘diffusion law’ analysis. We show that domain movement might mask the effects of the ‘anomalous’ diffusion characteristics of membrane lipids or proteins predicted for stationary domains, making it difficult to identify such moving nanodomains by sv-FCS. More specifically, our simulations indicate that (i) for domains moving up to a factor of 2.25 slower than the surrounding lipids, such impeded diffusion cannot be observed and the diffusion behaviour of the proteins or lipids is indistinguishable from that of freely diffusing molecules, i.e. nanodomains are not detected; (ii) impeded protein/lipid diffusion behaviour can be observed in experiments where the radii of the detection volume are similar in size to the domain radii, the domain diffusion is about 10 times slower than that of the lipids, and the probes show a high affinity to the domains; and (iii) presence of nanodomains can only be reliably detected by diffraction limited sv-FCS when the domains move very slowly (about 200 times slower than the lipid diffusion). As nanodomains are expected to be in the range of tens of nanometres and most probes show low affinities to such domains, sv-FCS is limited to stationary domains and/or STED-FCS. However, even for that latter technique, diffusing domains smaller than 50 nm in radius are hardly detectable by FCS diffusion time/spot-size dependencies.

  1. Development of an X-ray delay unit for correlation spectroscopy and pump-probe experiments

    Energy Technology Data Exchange (ETDEWEB)

    Roseker, Wojciech

    2008-07-15

    Probing condensed matter on time scales ranging from femtoseconds to nanoseconds will be one of the key topics for future X-ray Free Electron Laser (XFEL) sources. The accessible time windows are, however, compromised by the intrinsic time structure of the sources. One way to overcome this limitation is the usage of a time delay unit. A prototype device capable of splitting an X-ray pulse into two adjustable fractions, delaying one of them with the aim to perform X-ray Photon Correlation Spectroscopy and pump-probe type studies was designed and manufactured. The device utilizes eight perfect crystals in vertical 90 scattering geometry. Its performance has been verified with 8.39 keV and 12.4 keV Xrays at various synchrotron sources. The measured throughput of the device with a Si(333) monochromator at 8.39 keV under ambient conditions is 0.6%. The stability was verified at 12.4 keV and operation without realignment and feedback was possible for more than 30 minutes. Time delays up to 2.95 ns have been achieved. The highest resolution achieved in an experiment was 15.4 ps, a value entirely determined by the diagnostics system. The influence of the delay unit optics on the coherence properties of the beam was investigated by means of Fraunhofer diffraction and static speckle analysis. The obtained high fringe visibility and contrast values larger than 23% indicate the feasibility of performing coherence based experiments with the delay line. (orig.)

  2. STRUCTURAL ANALYSIS OF WOOD-LEATHER PANELS BY RAMAN SPECTROSCOPY

    Directory of Open Access Journals (Sweden)

    Tilman Grünewald,

    2012-02-01

    Full Text Available Besides other ligno-cellulosic materials such as straw, rice husks, or bagasse, wet blue particles from leather production are a promising new raw material stock for wood-based panels, as they offer not only a high availability, but increase the properties of the panel with regard to fire resistance or mechanical characteristics. A panel with a mixture of 42.5% wood fibers, 42.5% wet blue leather particles, and 15% lignin adhesive was produced, and an inhomogeneous sample was prepared. An area of 9 x 10 mm was rasterized and scanned by means of Raman Spectroscopy. Furthermore, the reference spectra of the constituents, i.e. wood fiber, wet blue leather particle, and lignin powder were recorded. The obtained data were treated and analyzed using chemometric methods (principal components analysis PCA and cluster analysis. An important finding was that the reference data were not directly represented in the panels’ spectra, and the correlation matrix of the PCA was not applicable to the panel data. This indicated that chemical changes might take place during the pressing. After processing the panel Raman spectra with the help of PCA and cluster analysis, three distinctive clusters were obtained, discriminating wood, leather, and mixed regions. With the assigned spectral information, it was possible to create a spectral image of the surface.

  3. Rapid analysis of Radix puerariae by near-infrared spectroscopy.

    Science.gov (United States)

    Lau, Ching-Ching; Chan, Chi-On; Chau, Foo-Tim; Mok, Daniel Kam-Wah

    2009-03-13

    A new, rapid analytical method using near-infrared spectroscopy (NIRS) was developed to differentiate two species of Radix puerariae (GG), Pueraria lobata (YG) and Pueraria thomsonii (FG), and to determine the contents of puerarin, daidzin and total isoflavonoid in the samples. Five isoflavonoids, puerarin, daidzin, daidzein, genistin and genistein were analyzed simultaneously by high-performance liquid chromatography-diode array detection (HPLC-DAD). The total isoflavonoid content was exploited as critical parameter for successful discrimination of the two species. Scattering effect and baseline shift in the NIR spectra were corrected and the spectral features were enhanced by several pre-processing methods. By using linear discriminant analysis (LDA) and soft independent modeling class analogy (SIMCA), samples were separated successfully into two different clusters corresponding to the two GG species. Furthermore, sensitivity and specificity of the classification models were determined to evaluate the performance. Finally, partial least squares (PLS) regression was used to build the correlation models. The results showed that the correlation coefficients of the prediction models are R=0.970 for the puerarin, R=0.939 for daidzin and R=0.969 for total isoflavonoid. The outcome showed that NIRS can serve as routine screening in the quality control of Chinese herbal medicine (CHM).

  4. Correlation between Electrochemical Impedance Spectroscopy and Structural Properties of Amorphous Tunisian Metanacrite Synthetic Material

    Directory of Open Access Journals (Sweden)

    Nouha Jaafar

    2014-01-01

    Full Text Available In the present work, we report the structural and electrochemical properties of metanacrite. Metanacrite is a synthetic material originated by heating (550°C of a clay mineral (Tunisian nacrite belonging to the kaolin group. The structure of the amorphous synthetic product was corroborated by X-ray diffraction (disappearing of nacrite peaks and infrared spectroscopy (disappearing of Al–OH and water bands. The decomposition of the silicate framework was confirmed by transmission electron microscope (TEM. The obtained metanacrite synthetic material was also examined by electrochemical impedance spectroscopy (EIS. Accordingly, the electronic conduction is followed by the correlated barrier hopping (C.B.H. model. Therefore, by combining ac and dc electrical conductivity, a semiconductor behavior is evidenced. The dependence of the dielectric constant (ε′ and dielectric loss (ε″ on both temperature and frequency is also discussed.

  5. Ultra-soft magnetic properties and correlated phase analysis by {sup 57}Fe Mössbauer spectroscopy of Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Manjura Hoque, S.; Liba, S. I.; Akhter, Shireen [Materials Science Division, Atomic Energy Centre, Dhaka 1217 (Bangladesh); Anirban, A. [Semiconductor Physics Group, University of Cambridge (United Kingdom); Choudhury, Shamima [Department of Physics, University of Dhaka, Dhaka 1217 (Bangladesh)

    2016-02-15

    A detailed study of magnetic softness has been performed on FINEMENT type of ribbons by investigating the BH loop with maximum applied field of 960 A/m. The ribbon with the composition of Fe{sub 74}Cu{sub 0.8}Nb{sub 2.7}Si{sub 15.5}B{sub 7} was synthesized by rapid solidification technique and the compositions volume fraction was controlled by changing the annealing condition. Detail phase analysis was performed through X-ray diffraction (XRD), Differential scanning calorimetry (DSC), Vibrating sample magnetometer (VSM) and Mössbauer spectroscopy in order to correlate the ultrasoft magnetic properties with the volume fraction of amorphous and α-Fe(Si) soft nano composites. Bright (BF) and dark field (DF) image with selective area diffraction (SAD) patterns by the transmission electron microscopy (TEM) of the sample annealed for the optimized annealed condition at 853 K for 3 min reveals nanocrystals with an average size between 10-15 nm possessing the bcc structure which matches with the grain size revealed by the X-ray diffraction. Kinetics of crystallization of α-Fe(Si) phases has been determined by DSC curves. Extremely small coercivity of 30.9 A/m and core loss of 2.5 W/Kg for the sample annealed at 853 K for 3 min was found. Similar values for other crystalline conditions were determined by using BH loop tracer with a maximum applied field of around 960 A/m. Mössbauer spectroscopy was used to determine chemical shift, hyperfine field distribution (HFD), and peak width of different phases. The volume fractions of the relative amount of amorphous and crystalline phases are also determined by Mössbauer spectroscopy. High saturation magnetization along with ultrasoft magnetic properties exhibits very high potentials technological applications.

  6. Recent developments in fast spectroscopy for plant mineral analysis

    Directory of Open Access Journals (Sweden)

    Marie evan Maarschalkerweerd

    2015-03-01

    Full Text Available Ideal fertilizer management to optimize plant productivity and quality is more relevant than ever, as global food demands increase along with the rapidly growing world population. At the same time, sub-optimal or excessive use of fertilizers leads to severe environmental damage in areas of intensive crop production. The approaches of soil and plant mineral analysis are briefly compared and discussed here, and the new techniques using fast spectroscopy that offer cheap, rapid and easy-to-use analysis of plant nutritional status are reviewed. The majority of these methods use vibrational spectroscopy, such as Visual-Near Infrared (Vis-NIR and to a lesser extent Ultraviolet (UV and Mid-Infrared (MIR spectroscopy. Advantages of and problems with application of these techniques are thoroughly discussed. Spectroscopic techniques considered having major potential for plant mineral analysis, such as chlorophyll a fluorescence, X-ray fluorescence (XRF and Laser-Induced Breakdown Spectroscopy (LIBS are also described.

  7. [Two-Dimensional Hetero-Spectral Near-Infrared and Mid-Infrared Correlation Spectroscopy for Discrimination Adulterated Milk].

    Science.gov (United States)

    Yu, Ge; Yang, Ren-jie; Lü, Ai-jun; Tan, En-zhong

    2015-08-01

    New approach for discriminant analysis of adulterated milk is proposed based on combining hetero-spectral two-dimensional (2D) near-infrared (NIR) and mid-infrared (IR) correlation spectroscopy along with multi-way partial least squares discriminant analysis (NPLS-DA). Firstly, 36 pure milk samples were collected and 36 adulterated milk with starch samples (0.01 to 1 g · L(-1)) were prepared by adding appropriate mass of starch into pure milk. Then, one-dimensional NIR transmittance spectra and IR attenuated total reflection spectra of pure milk and adulterated milk with starch were measured at room temperature. And the synchronous 2D NIR-IR (4200~4800 vs. 900~1700 cm(-1)) correlation spectra of all samples were calculated. Due to the trace of adulterants, the synchronous 2D IR-NIR correlation spectral differences between adulterated milk with starch and pure milk are very subtle. Consequently, it was impossible to directly distinguish whether the sample was pure milk or adulterated milk. Finally, 2D IR-NIR correlation spectra were to build a discriminant model to classify adulterated milk and pure milk. The classification accuracy rates of samples in calibration set and in prediction set were 95.8% and 100% respectively. Also, the NPLS-DA models were built based on 2D NIR and 2D IR correlation spectra, respectively. The classification accuracy rates of samples in prediction set were 95.8%. Comparison results showed that the NPLS-DA model could provide better results using 2D NIR-IR correlation spectra than using 2D NIR, and 2D IR correlation spectra. The proposed method can not only effectively extract the feature information of adulterants in milk, but also explores a new perspective method for detection of adulterated food.

  8. Study on the crystalline structure transition of syndiotactic polystyrene film during heat treatment by two-dimensional infrared correlation spectroscopy.

    Science.gov (United States)

    Li, Weizhen; Wu, Peiyi

    2009-08-01

    The crystal structure transition of syndiotactic polystyrene film from the helical conformation to the more stable planar zigzag conformation during a heating process was studied using Fourier transform infrared (FT-IR) spectroscopy in combination with two-dimensional (2D) correlation analysis and perturbation-correlation moving-window 2D analysis. The sequence of different conformations during the transition was investigated by analyzing two-dimensional FT-IR correlation spectra in the spectral ranges of 800-700 cm(-1) and 600-500 cm(-1). It was observed that the conformation of delta helical changes prior to gamma helical, and the gamma helical phase is faster than the alpha' planar zigzag phase. By utilizing the 2D asynchronous correlation spectra, the 744 cm(-1) band, which is usually incorporated in the broad 750 cm(-1) band, can now be uniquely attributed as the alpha' zigzag configuration for the first time. Furthermore, by employing thermal perturbation, the shorter helical segments consisting of m = 7-12 and m = 12-20 monomeric units were disturbed in a shorter time than the longer helical segments m = 20-30 during the heating process.

  9. Volume localized spin echo correlation spectroscopy with suppression of 'diagonal' peaks.

    Science.gov (United States)

    Banerjee, Abhishek; Chandrakumar, N

    2014-02-01

    Two dimensional homonuclear (1)H correlation spectroscopy is of considerable interest for volume localized spectral studies, both in vivo and in vitro, of biological as well as material objects. The information principally sought from correlation spectra resides in the cross-peaks, which are often masked however by the presence of diagonal peaks in COSY, or 'pseudo-diagonal' peaks at F1=0 in SECSY. It has therefore been a concern to suppress these diagonal or 'pseudo-diagonal' peaks, in order to ensure that cross-peak information is fully discernible. We present here a report of our work on volume localized DIagonal Suppressed Spin Echo Correlation specTroscopy (LDISSECT) and demonstrate its performance in comparison to the standard volume localized SECSY experiment, employing brain metabolite phantoms in a gel. The sequence works in the inhomogeneous, multi-component environment by exploiting the short acquisition time to suppress undesired information by employing an additional rf pulse. A brief description of the pulse sequence, its theory, and simulations are also included, besides experimental benchmarking on two brain metabolite phantoms in gel phase.

  10. Multivariate Longitudinal Analysis with Bivariate Correlation Test.

    Science.gov (United States)

    Adjakossa, Eric Houngla; Sadissou, Ibrahim; Hounkonnou, Mahouton Norbert; Nuel, Gregory

    2016-01-01

    In the context of multivariate multilevel data analysis, this paper focuses on the multivariate linear mixed-effects model, including all the correlations between the random effects when the dimensional residual terms are assumed uncorrelated. Using the EM algorithm, we suggest more general expressions of the model's parameters estimators. These estimators can be used in the framework of the multivariate longitudinal data analysis as well as in the more general context of the analysis of multivariate multilevel data. By using a likelihood ratio test, we test the significance of the correlations between the random effects of two dependent variables of the model, in order to investigate whether or not it is useful to model these dependent variables jointly. Simulation studies are done to assess both the parameter recovery performance of the EM estimators and the power of the test. Using two empirical data sets which are of longitudinal multivariate type and multivariate multilevel type, respectively, the usefulness of the test is illustrated.

  11. Recent Developments in Fluorescence Correlation Spectroscopy for Diffusion Measurements in Planar Lipid Membranes

    Directory of Open Access Journals (Sweden)

    Martin Hof

    2010-01-01

    Full Text Available Fluorescence correlation spectroscopy (FCS is a single molecule technique used mainly for determination of mobility and local concentration of molecules. This review describes the specific problems of FCS in planar systems and reviews the state of the art experimental approaches such as 2-focus, Z-scan or scanning FCS, which overcome most of the artefacts and limitations of standard FCS. We focus on diffusion measurements of lipids and proteins in planar lipid membranes and review the contributions of FCS to elucidating membrane dynamics and the factors influencing it, such as membrane composition, ionic strength, presence of membrane proteins or frictional coupling with solid support.

  12. Real-time compression of streaming X-ray photon correlation spectroscopy area-detector data

    Science.gov (United States)

    Madden, T.; Jemian, P.; Narayanan, S.; Sandy, A. R.; Sikorski, M.; Sprung, M.; Weizeorick, J.

    2011-09-01

    We present a data acquisition system to perform on-the-fly background subtraction and lower-level discrimination compression of streaming X-ray photon correlation spectroscopy (XPCS) data from a fast charge-coupled device area detector. The system is built using a commercial frame grabber with an on-board field-programmable gate array (FPGA). The system is capable of continuously processing 60 CCD frames per second each consisting of 1024×1024 pixels with up to 64 512 photon hits per frame.

  13. A Geiger-mode avalanche photodiode array for X-ray photon correlation spectroscopy.

    Science.gov (United States)

    Johnson, I; Sadygov, Z; Bunk, O; Menzel, A; Pfeiffer, F; Renker, D

    2009-01-01

    X-ray photon correlation spectroscopy (XPCS) provides an opportunity to study the dynamics of systems by measuring the temporal fluctuations in a far-field diffraction pattern. A two-dimensional detector system has been developed to investigate fluctuations in the frequency range of several Hz to kHz. The X-ray detector system consists of a thin 100 microm scintillation crystal coupled to a Geiger-mode avalanche photodiode array. In this article the elements of the system are detailed and the detector for XPCS measurements is demonstrated.

  14. Characterization of gold nanoparticle bioconjugation by resonance light scattering correlation spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Xin Qiu; Li Chuan Tang; Chao Qing Dong; Ji Cun Ren

    2010-01-01

    Gold nanoparticles(GNPs)have been widely used as probes and nanomaterials in certain biological and biomedical fields thanks to its special physical and chemical properties.However,it is still difficult to characterize GNPs-bioconjugates in solution,which has greatly limited further bioapplications of GNPs.In this study,we reported a single particle method for characterizing GNPsbiomolecules in solution using resonance light scattering correlation spectroscopy(RLSCS).The interaction of GNPs with bovine serum albumin(BSA)and thiol-modified oligonucletides were investigated.

  15. Application of perturbed angular correlation spectroscopy in IgG immunoglobulins

    Energy Technology Data Exchange (ETDEWEB)

    Silva, A.S.; Amaral, A.A.; Lapolli, A.L.; Carbonari, A.W. [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN/SP), Sao Paulo, SP (Brazil)], e-mail: asilva@usp.br

    2009-07-01

    In the present work, the technique of perturbed angular correlation (PAC) spectroscopy was used to measure the electric hyperfine field at IgG immunoglobulins using {sup 111}In {yields}{sup 111}Cd and {sup 181}Hf {yields} {sup 181}Ta probe nuclei. The biological materials studied in this work were originating from the immunological response of different mice lineages infected by the Y strain of T. cruzi. The samples were measured at room temperature (295K) and at liquid nitrogen temperature (77K). The PAC results showed that, samples measured with {sup 111}In obtained better results when they were compared with samples measured with {sup 181}Hf. (author)

  16. 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.

  17. Disassembly of structurally modified viral nanoparticles: characterization by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Toivola, Jouni; Gilbert, Leona; Michel, Patrik; White, Daniel; Vuento, Matti; Oker-Blom, Christian

    2005-12-01

    Analysis of the breakdown products of engineered viral particles can give useful information on the particle structure. We used various methods to breakdown both a recombinant enveloped virus and virus-like particles (VLPs) from two non-enveloped viruses and analysed the resulting subunits by fluorescence correlation spectroscopy (FCS). Analysis of the enveloped baculovirus, Autographa californica multicapsid nucleopolyhedrovirus (AcMNPV), displaying the green fluorescent protein (GFP) fused to its envelope protein gp64 was performed in the presence and absence of 5 mM SDS and 25 mM DTT. Without treatment, the viral particle showed a diffusion time of 3.3 ms. In the presence of SDS, fluorescent subunits with diffusion times of 0.2 ms were observed. Additional treatment with DTT caused a drop in the diffusion time to 0.1 ms. Changes in the amplitude of the autocorrelation function suggested a 3-fold increase in fluorescent particle number when viral particles were treated with SDS, and a further 1.5-fold increase with additional treatment with DTT. Thus, the data showed that an average of 4.5 molecules of gp64-GFP was incorporated in the membrane of the modified baculovirus. Further, this suggests that each fluorescent gp64 trimer carries on average 1.5 fluorescent units. Similar experiments were carried out with two non-enveloped fluorescent virus-like particles (fVLPs) that displayed enhanced green fluorescent protein (EGFP). These, fVLPs of canine and human B19 parvoviruses were treated with 6 M urea and 5 mM SDS, respectively. Correspondingly, the original hydrodynamic radii of 17 and 14 nm were reduced to 9 and 5 nm after treatment. Here, the change in the amplitude of the autocorrelation curve suggested a 10-fold increase in particle number when viral particles of CPV were treated with 6 M urea at 50 degrees C for 10 min. For EGFP-B19, there was a decrease in the amplitude, accompanied by a 9-fold increase in the number of fluorescent units with SDS treatment

  18. Correlation-driven charge migration following double ionization and attosecond transient absorption spectroscopy

    Science.gov (United States)

    Hollstein, Maximilian; Santra, Robin; Pfannkuche, Daniela

    2017-05-01

    We theoretically investigate charge migration following prompt double ionization. Thereby, we extend the concept of correlation-driven charge migration, which was introduced by Cederbaum and coworkers for single ionization [Chem. Phys. Lett. 307, 205 (1999), 10.1016/S0009-2614(99)00508-4], to doubly ionized molecules. This allows us to demonstrate that compared to singly ionized molecules, in multiply ionized molecules, electron dynamics originating from electronic relaxation and correlation are particularly prominent. In addition, we also discuss how these correlation-driven electron dynamics might be evidenced and traced experimentally using attosecond transient absorption spectroscopy. For this purpose, we determine the time-resolved absorption cross section and find that the correlated electron dynamics discussed are reflected in it with exceptionally great detail. Strikingly, we find that features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. By taking advantage of element-specific core-to-valence transitions even atomic spatial resolution can be achieved. Thus, with the theoretical considerations presented, not only do we predict particularly diverse and correlated electron dynamics in molecules to follow prompt multiple ionization but we also identify a promising route towards their experimental investigation.

  19. Vibrational Micro-Spectroscopy of Human Tissues Analysis: Review.

    Science.gov (United States)

    Bunaciu, Andrei A; Hoang, Vu Dang; Aboul-Enein, Hassan Y

    2017-05-04

    Vibrational spectroscopy (Infrared (IR) and Raman) and, in particular, micro-spectroscopy and micro-spectroscopic imaging have been used to characterize developmental changes in tissues, to monitor these changes in cell cultures and to detect disease and drug-induced modifications. The conventional methods for biochemical and histophatological tissue characterization necessitate complex and "time-consuming" sample manipulations and the results are rarely quantifiable. The spectroscopy of molecular vibrations using mid-IR or Raman techniques has been applied to samples of human tissue. This article reviews the application of these vibrational spectroscopic techniques for analysis of biological tissue published between 2005 and 2015.

  20. 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.

  1. Advances in Mid-Infrared Spectroscopy for Chemical Analysis

    Science.gov (United States)

    Haas, Julian; Mizaikoff, Boris

    2016-06-01

    Infrared spectroscopy in the 3-20 μm spectral window has evolved from a routine laboratory technique into a state-of-the-art spectroscopy and sensing tool by benefitting from recent progress in increasingly sophisticated spectra acquisition techniques and advanced materials for generating, guiding, and detecting mid-infrared (MIR) radiation. Today, MIR spectroscopy provides molecular information with trace to ultratrace sensitivity, fast data acquisition rates, and high spectral resolution catering to demanding applications in bioanalytics, for example, and to improved routine analysis. In addition to advances in miniaturized device technology without sacrificing analytical performance, selected innovative applications for MIR spectroscopy ranging from process analysis to biotechnology and medical diagnostics are highlighted in this review.

  2. Temperature-Corrected Oxygen Detection Based on Multi-Mode Diode Laser Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    Xiutao Lou

    2013-01-01

    Full Text Available Temperature-corrected oxygen measurements were performed by using multi-mode diode laser correlation spectroscopy at temperatures ranging between 300 and 473 K. The experiments simulate in situ monitoring of oxygen in coal-combustion exhaust gases at the tail of the flue. A linear relationship with a correlation coefficient of −0.999 was found between the evaluated concentration and the gas temperature. Temperature effects were either auto-corrected by keeping the reference gas at the same conditions as the sample gas, or rectified by using a predetermined effective temperature-correction coefficient calibrated for a range of absorption wavelengths. Relative standard deviations of the temperature-corrected oxygen concentrations obtained by different schemes and at various temperatures were estimated, yielding a measurement precision of 0.6%.

  3. Super-resolution fluorescence imaging and correlation spectroscopy: Principles and examples of application

    Directory of Open Access Journals (Sweden)

    Jovanović-Talisman Tijana

    2013-01-01

    Full Text Available Self-organization of cell-surface receptors in structurally distinct domains in the plasma membrane is of vital interest for correct cellular signaling. However, this dynamic process is difficult to study in cells with sufficiently high temporal and spatial resolution. We present here two quantitative high-resolution methods with single-molecule sensitivity, Fluorescence Correlation Spectroscopy (FCS and pair-correlation Photoactivated Localization Microscopy (pcPALM, which enable nondestructive study of receptor diffusion and lateral organization at the nanoscale level. We introduce here the methods and review their application in studies of lateral organization of G Protein-Coupled Receptors (GPCRs. Examples from our own work on opioid receptor lateral organization are presented in order to illustrate the most recent advances in the field. [Projekat Ministarstva nauke Republike Srbije, br. 172015 i br. 45001

  4. New perspectives in the ultrafast spectroscopy of many-body excitations in correlated materials

    Science.gov (United States)

    Giannetti, C.

    2016-03-01

    Ultrafast spectroscopies constitute a fundamental tool to investigate the dynamics of non-equilibrium many-body states in correlated materials. Two-pulses (pump-probe) experiments have shed new light on the interplay between high-energy electronic excitations and the emerging low-energy properties, such as superconductivity and charge order, in many interesting materials. Here we will review some recent results on copper oxides and we will propose the use of high-resolution multi-dimensional techniques to investigate the decoherence processes of optical excitations in these systems. This novel piece of information is expected to open a new route toward the understanding of the fundamental interactions that lead to the exotic electronic and magnetic properties of correlated materials.

  5. Raman spectroscopy for analysis of thorium compounds

    Science.gov (United States)

    Su, Yin-Fong; Johnson, Timothy J.; Olsen, Khris B.

    2016-05-01

    The thorium fuel cycle is an alternative to the uranium fuel cycle in that when 232Th is irradiated with neutrons it is converted to 233U, another fissile isotope. There are several chemical forms of thorium which are used in the Th fuel cycle. Recently, Raman spectroscopy has become a very portable and facile analytical technique useful for many applications, including e.g. determining the chemical composition of different materials such as for thorium compounds. The technique continues to improve with the development of ever-more sensitive instrumentation and better software. Using a laboratory Fourier-transform (FT)-Raman spectrometer with a 785 nm wavelength laser, we were able to obtain Raman spectra from a series of thorium-bearing compounds of unknown origin. These spectra were compared to the spectra of in-stock-laboratory thorium compounds including e.g. ThO2, ThF4, Th(CO3)2 and Th(C2O4)2. The unknown spectra showed very good agreement to the known standards, demonstrating the applicability of Raman spectroscopy for detection and identification of these nuclear materials.

  6. Raman Spectroscopy for Analysis of Thorium Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Su, Yin-Fong; Johnson, Timothy J.; Olsen, Khris B.

    2016-05-12

    The thorium fuel cycle is an alternative to the uranium fuel cycle in that when 232Th is irradiated with neutrons it is converted to 233U, another fissile isotope. There are several chemical forms of thorium which are used in the Th fuel cycle. Recently, Raman spectroscopy has become a very portable and facile analytical technique useful for many applications, including e.g. determining the chemical composition of different materials such as for thorium compounds. The technique continues to improve with the development of ever-more sensitive instrumentation and better software. Using a laboratory Fourier-transform (FT)-Raman spectrometer with a 785 nm wavelength laser, we were able to obtain Raman spectra from a series of thorium-bearing compounds of unknown origin. These spectra were compared to the spectra of in-stock-laboratory thorium compounds including ThO2, ThF4, Th(CO3)2 and Th(C2O4)2. The unknown spectra showed very good agreement to the known standards, demonstrating the applicability of Raman spectroscopy for detection and identification of these nuclear materials.

  7. Correlating the motion of electrons and nuclei with two-dimensional electronic-vibrational spectroscopy.

    Science.gov (United States)

    Oliver, Thomas A A; Lewis, Nicholas H C; Fleming, Graham R

    2014-07-15

    Multidimensional nonlinear spectroscopy, in the electronic and vibrational regimes, has reached maturity. To date, no experimental technique has combined the advantages of 2D electronic spectroscopy and 2D infrared spectroscopy, monitoring the evolution of the electronic and nuclear degrees of freedom simultaneously. The interplay and coupling between the electronic state and vibrational manifold is fundamental to understanding ensuing nonradiative pathways, especially those that involve conical intersections. We have developed a new experimental technique that is capable of correlating the electronic and vibrational degrees of freedom: 2D electronic-vibrational spectroscopy (2D-EV). We apply this new technique to the study of the 4-(di-cyanomethylene)-2-methyl-6-p-(dimethylamino)styryl-4H-pyran (DCM) laser dye in deuterated dimethyl sulfoxide and its excited state relaxation pathways. From 2D-EV spectra, we elucidate a ballistic mechanism on the excited state potential energy surface whereby molecules are almost instantaneously projected uphill in energy toward a transition state between locally excited and charge-transfer states, as evidenced by a rapid blue shift on the electronic axis of our 2D-EV spectra. The change in minimum energy structure in this excited state nonradiative crossing is evident as the central frequency of a specific vibrational mode changes on a many-picoseconds timescale. The underlying electronic dynamics, which occur on the hundreds of femtoseconds timescale, drive the far slower ensuing nuclear motions on the excited state potential surface, and serve as a excellent illustration for the unprecedented detail that 2D-EV will afford to photochemical reaction dynamics.

  8. Z-scan fluorescence correlation spectroscopy as a tool for diffusion measurements in planar lipid membranes.

    Science.gov (United States)

    Steinberger, Tomáš; Macháň, Radek; Hof, Martin

    2014-01-01

    Studies of lateral diffusion are used for the characterization of the dynamics of biological membranes. One of the techniques that can be used for this purpose is fluorescence correlation spectroscopy (FCS), which belongs to the single-molecule techniques. Unfortunately, FCS measurements, when performed in planar lipid systems, are associated with a few sources of inaccuracy in the determination of the lateral diffusion coefficient. The main problems are related to the imperfect positioning of the laser focus relative to the plane of the sample. Another source of inaccuracy is the requirement for external calibration of the detection volume size. This protocol introduces a calibration-free method called Z-scan fluorescence correlation spectroscopy (Z-scan FCS), which is based on the determination of the diffusion time and particle number in steps along the optical (z-) axis by sequential FCS measurements. Z-scan FCS could be employed for diffusion measurements in planar membrane model systems-supported phospholipid bilayers (SPBs) and giant unilamellar vesicles (GUVs) and also in biological membranes. A result from measurements in SPBs is also presented in the protocol as a principle example of the Z-scan technique.

  9. Measuring diffusion with polarization-modulation dual-focus fluorescence correlation spectroscopy.

    Science.gov (United States)

    Korlann, You; Dertinger, Thomas; Michalet, Xavier; Weiss, Shimon; Enderlein, Jörg

    2008-09-15

    We present a new technique, polarization-modulation dual-focus fluorescence correlation spectroscopy (pmFCS), based on the recently intro-duced dual-focus fluorescence correlation spectroscopy (2fFCS) to measure the absolute value of diffusion coefficients of fluorescent molecules at pico- to nanomolar concentrations. Analogous to 2fFCS, the new technique is robust against optical saturation in yielding correct values of the diffusion coefficient. This is in stark contrast to conventional FCS where optical saturation leads to an apparent decrease in the determined diffusion coefficient with increasing excitation power. However, compared to 2fFCS, the new technique is simpler to implement into a conventional confocal microscope setup and is compatible with cw-excitation, only needing as add-ons an electro-optical modulator and a differential interference contrast prism. With pmFCS, the measured diffusion coefficient (D) for Atto655 maleimide in water at 25?C is determined to be equal to (4.09 +/- 0.07) x 10(-6)cm(2)/s, in good agreement with the value of 4.04 x 10-6cm2/s as measured by 2fFCS.

  10. Face hallucination using orthogonal canonical correlation analysis

    Science.gov (United States)

    Zhou, Huiling; Lam, Kin-Man

    2016-05-01

    A two-step face-hallucination framework is proposed to reconstruct a high-resolution (HR) version of a face from an input low-resolution (LR) face, based on learning from LR-HR example face pairs using orthogonal canonical correlation analysis (orthogonal CCA) and linear mapping. In the proposed algorithm, face images are first represented using principal component analysis (PCA). Canonical correlation analysis (CCA) with the orthogonality property is then employed, to maximize the correlation between the PCA coefficients of the LR and the HR face pairs to improve the hallucination performance. The original CCA does not own the orthogonality property, which is crucial for information reconstruction. We propose using orthogonal CCA, which is proven by experiments to achieve a better performance in terms of global face reconstruction. In addition, in the residual-compensation process, a linear-mapping method is proposed to include both the inter- and intrainformation about manifolds of different resolutions. Compared with other state-of-the-art approaches, the proposed framework can achieve a comparable, or even better, performance in terms of global face reconstruction and the visual quality of face hallucination. Experiments on images with various parameter settings and blurring distortions show that the proposed approach is robust and has great potential for real-world applications.

  11. Analysis Tools for Next-Generation Hadron Spectroscopy Experiments

    CERN Document Server

    Battaglieri, M; Celentano, A; Chung, S -U; D'Angelo, A; De Vita, R; Döring, M; Dudek, J; Eidelman, S; Fegan, S; Ferretti, J; Fox, G; Galata, G; Garcia-Tecocoatzi, H; Glazier, D I; Grube, B; Hanhart, C; Hoferichter, M; Hughes, S M; Ireland, D G; Ketzer, B; Klein, F J; Kubis, B; Liu, B; Masjuan, P; Mathieu, V; McKinnon, B; Mitchell, R; Nerling, F; Paul, S; Pelaez, J R; Rademacker, J; Rizzo, A; Salgado, C; Santopinto, E; Sarantsev, A V; Sato, T; Schlüter, T; da Silva, M L L; Stankovic, I; Strakovsky, I; Szczepaniak, A; Vassallo, A; Walford, N K; Watts, D P; Zana, L

    2014-01-01

    The series of workshops on New Partial-Wave Analysis Tools for Next-Generation Hadron Spectroscopy Experiments was initiated with the ATHOS 2012 meeting, which took place in Camogli, Italy, June 20-22, 2012. It was followed by ATHOS 2013 in Kloster Seeon near Munich, Germany, May 21-24, 2013. The third, ATHOS3, meeting is planned for April 13-17, 2015 at The George Washington University Virginia Science and Technology Campus, USA. The workshops focus on the development of amplitude analysis tools for meson and baryon spectroscopy, and complement other programs in hadron spectroscopy organized in the recent past including the INT-JLab Workshop on Hadron Spectroscopy in Seattle in 2009, the International Workshop on Amplitude Analysis in Hadron Spectroscopy at the ECT*-Trento in 2011, the School on Amplitude Analysis in Modern Physics in Bad Honnef in 2011, the Jefferson Lab Advanced Study Institute Summer School in 2012, and the School on Concepts of Modern Amplitude Analysis Techniques in Flecken-Zechlin near...

  12. Sequential identification of model parameters by derivative double two-dimensional correlation spectroscopy and calibration-free approach for chemical reaction systems.

    Science.gov (United States)

    Spegazzini, Nicolas; Siesler, Heinz W; Ozaki, Yukihiro

    2012-10-02

    A sequential identification approach by two-dimensional (2D) correlation analysis for the identification of a chemical reaction model, activation, and thermodynamic parameters is presented in this paper. The identification task is decomposed into a sequence of subproblems. The first step is the construction of a reaction model with the suggested information by model-free 2D correlation analysis using a novel technique called derivative double 2D correlation spectroscopy (DD2DCOS), which enables one to analyze intensities with nonlinear behavior and overlapped bands. The second step is a model-based 2D correlation analysis where the activation and thermodynamic parameters are estimated by an indirect implicit calibration or a calibration-free approach. In this way, a minimization process for the spectral information by sample-sample 2D correlation spectroscopy and kinetic hard modeling (using ordinary differential equations) of the chemical reaction model is carried out. The sequential identification by 2D correlation analysis is illustrated with reference to the isomeric structure of diphenylurethane synthesized from phenylisocyanate and phenol. The reaction was investigated by FT-IR spectroscopy. The activation and thermodynamic parameters of the isomeric structures of diphenylurethane linked through a hydrogen bonding equilibrium were studied by means of an integration of model-free and model-based 2D correlation analysis called a sequential identification approach. The study determined the enthalpy (ΔH = 15.25 kJ/mol) and entropy (TΔS = 13.20 kJ/mol) of C═O···H hydrogen bonding of diphenylurethane through direct calculation from the differences in the kinetic parameters (δΔ(‡)H, -TδΔ(‡)S) at equilibrium in the chemical reaction system.

  13. Drug stability analysis by Raman spectroscopy.

    Science.gov (United States)

    Shende, Chetan; Smith, Wayne; Brouillette, Carl; Farquharson, Stuart

    2014-12-22

    Pharmaceutical drugs are available to astronauts to help them overcome the deleterious effects of weightlessness, sickness and injuries. Unfortunately, recent studies have shown that some of the drugs currently used may degrade more rapidly in space, losing their potency before their expiration dates. To complicate matters, the degradation products of some drugs can be toxic. Here, we present a preliminary investigation of the ability of Raman spectroscopy to quantify mixtures of four drugs; acetaminophen, azithromycin, epinephrine, and lidocaine, with their primary degradation products. The Raman spectra for the mixtures were replicated by adding the pure spectra of the drug and its degradant to determine the relative percent contributions using classical least squares. This multivariate approach allowed determining concentrations in ~10 min with a limit of detection of ~4% of the degradant. These results suggest that a Raman analyzer could be used to assess drug potency, nondestructively, at the time of use to ensure crewmember safety.

  14. Drug Stability Analysis by Raman Spectroscopy

    Directory of Open Access Journals (Sweden)

    Chetan Shende

    2014-12-01

    Full Text Available Pharmaceutical drugs are available to astronauts to help them overcome the deleterious effects of weightlessness, sickness and injuries. Unfortunately, recent studies have shown that some of the drugs currently used may degrade more rapidly in space, losing their potency before their expiration dates. To complicate matters, the degradation products of some drugs can be toxic. Here, we present a preliminary investigation of the ability of Raman spectroscopy to quantify mixtures of four drugs; acetaminophen, azithromycin, epinephrine, and lidocaine, with their primary degradation products. The Raman spectra for the mixtures were replicated by adding the pure spectra of the drug and its degradant to determine the relative percent contributions using classical least squares. This multivariate approach allowed determining concentrations in ~10 min with a limit of detection of ~4% of the degradant. These results suggest that a Raman analyzer could be used to assess drug potency, nondestructively, at the time of use to ensure crewmember safety.

  15. Analysis of scorpion venom composition by Raman Spectroscopy

    Science.gov (United States)

    Martínez-Zérega, Brenda E.; González-Solís, José L.

    2015-01-01

    In this work we study the venom of two Centruroides scorpion species using Raman spectroscopy. The spectra analysis allows to determine the venoms chemical composition and to establish the main differences and similarities among the species. It is also shown that the use of Principal Component Analysis may help to tell apart between the scorpion species.

  16. Fluorescence correlation spectroscopy as tool for high-content-screening in yeast (HCS-FCS)

    Science.gov (United States)

    Wood, Christopher; Huff, Joseph; Marshall, Will; Yu, Elden Qingfeng; Unruh, Jay; Slaughter, Brian; Wiegraebe, Winfried

    2011-03-01

    To measure protein interactions, diffusion properties, and local concentrations in single cells, Fluorescence Correlation Spectroscopy (FCS) is a well-established and widely accepted method. However, measurements can take a long time and are laborious. Therefore investigations are typically limited to tens or a few hundred cells. We developed an automated system to overcome these limitations and make FCS available for High Content Screening (HCS). We acquired data in an auto-correlation screen of more than 4000 of the 6000 proteins of the yeast Saccharomyces cerevisiae, tagged with eGFP and expanded the HCS to use cross-correlation between eGFP and mCherry tagged proteins to screen for molecular interactions. We performed all high-content FCS screens (HCS-FCS) in a 96 well plate format. The system is based on an extended Carl Zeiss fluorescence correlation spectrometer ConfoCor 3 attached to a confocal microscope LSM 510. We developed image-processing software to control these hardware components. The confocal microscope obtained overview images and we developed an algorithm to search for and detect single cells. At each cell, we positioned a laser beam at a well-defined point and recorded the fluctuation signal. We used automatic scoring of the signal for quality control. All data was stored and organized in a database based on the open source Open Microscopy Environment (OME) platform. To analyze the data we used the image processing language IDL and the open source statistical software package R.

  17. Determination of multivalent protein-ligand binding kinetics by second-harmonic correlation spectroscopy.

    Science.gov (United States)

    Sly, Krystal L; Conboy, John C

    2014-11-18

    Binding kinetics of the multivalent proteins peanut agglutinin (PnA) and cholera toxin B subunit (CTB) to a GM1-doped 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) lipid bilayer were investigated by both second-harmonic correlation spectroscopy (SHCS) and a traditional equilibrium binding isotherm. Adsorption and desorption rates, as well as binding affinity and binding free energy, for three bulk protein concentrations were determined by SHCS. For PnA binding to GM1, the measured adsorption rate decreased with increasing bulk PnA concentration from (3.7 ± 0.3) × 10(6) M(-1)·s(-1) at 0.43 μM PnA to (1.1 ± 0.1) × 10(5) M(-1)·s(-1) at 12 μM PnA. CTB-GM1 exhibited a similar trend, decreasing from (1.0 ± 0.1) × 10(9) M(-1)·s(-1) at 0.5 nM CTB to (3.5 ± 0.2) × 10(6) M(-1)·s(-1) at 240 nM CTB. The measured desorption rates in both studies did not exhibit any dependence on initial protein concentration. As such, 0.43 μM PnA and 0.5 nM CTB had the strongest measured binding affinities, (3.7 ± 0.8) × 10(9) M(-1) and (2.8 ± 0.5) × 10(13) M(-1), respectively. Analysis of the binding isotherm data suggests there is electrostatic repulsion between protein molecules when PnA binds GM1, while CTB-GM1 demonstrates positive ligand-ligand cooperativity. This study provides additional insight into the complex interactions between multivalent proteins and their ligands and showcases SHCS for examining these complex yet technologically important protein-ligand complexes used in biosensors, immunoassays, and other biomedical diagnostics.

  18. Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis

    CERN Document Server

    Turner, Daniel B; Sutor, Erika J; Hendrickson, Rebecca A; Gealy, M W; Ulness, Darin J

    2012-01-01

    Electronic energy transfer in photosynthesis occurs over a range of time scales and under a variety of intermolecular coupling conditions. Recent work has shown that electronic coupling between chromophores can lead to coherent oscillations in two-dimensional electronic spectroscopy measurements of pigment-protein complexes measured with femtosecond laser pulses. A persistent issue in the field is to reconcile the results of measurements performed using femtosecond laser pulses with physiological illumination conditions. Noisy-light spectroscopy can begin to address this question. In this work we present the theoretical analysis of incoherent two-dimensional electronic spectroscopy, I(4) 2D ES. Simulations reveal diagonal peaks, cross peaks, and coherent oscillations similar to those observed in femtosecond two-dimensional electronic spectroscopy experiments. The results also expose fundamental differences between the femtosecond-pulse and noisy-light techniques; the differences lead to new challenges and opp...

  19. Applications of Raman Spectroscopy to Virology and Microbial Analysis

    Science.gov (United States)

    Harz, Michaela; Stöckel, Stephan; Ciobotă, Valerian; Cialla, Dana; Rösch, Petra; Popp, Jürgen

    This chapter reports from the utilization of Raman spectroscopic techniques like Raman microscopy, Raman optical activity (ROA), UV-resonance Raman (UVRR)-spectroscopy, surface enhanced Raman spectroscopy (SERS), and tip-enhanced Raman spectroscopy (TERS) for the investigation of viruses and microorganisms, especially bacteria and yeasts for medical and pharmaceutical applications. The application of these Raman techniques allows for the analysis of chemical components of cells and subcellular regions, as well as the monitoring of chemical differences occurring as a result of the growth of microorganisms. In addition, the interaction of microorganisms with active pharmaceutical agents can be investigated. In combination with chemometric methods Raman spectroscopy can also be applied to identify microorganisms both in micro colonies and even on single cells.

  20. Correlating Detergent Fiber Analysis and Dietary Fiber Analysis Data for Corn Stover

    Energy Technology Data Exchange (ETDEWEB)

    Wolfrum, E. J.; Lorenz, A. J.; deLeon, N.

    2009-01-01

    There exist large amounts of detergent fiber analysis data [neutral detergent fiber (NDF), acid detergent fiber (ADF), acid detergent lignin (ADL)] for many different potential cellulosic ethanol feedstocks, since these techniques are widely used for the analysis of forages. Researchers working in the area of cellulosic ethanol are interested in the structural carbohydrates in a feedstock (principally glucan and xylan), which are typically determined by acid hydrolysis of the structural fraction after multiple extractions of the biomass. These so-called dietary fiber analysis methods are significantly more involved than detergent fiber analysis methods. The purpose of this study was to determine whether it is feasible to correlate detergent fiber analysis values to glucan and xylan content determined by dietary fiber analysis methods for corn stover. In the detergent fiber analysis literature cellulose is often estimated as the difference between ADF and ADL, while hemicellulose is often estimated as the difference between NDF and ADF. Examination of a corn stover dataset containing both detergent fiber analysis data and dietary fiber analysis data predicted using near infrared spectroscopy shows that correlations between structural glucan measured using dietary fiber techniques and cellulose estimated using detergent techniques, and between structural xylan measured using dietary fiber techniques and hemicellulose estimated using detergent techniques are high, but are driven largely by the underlying correlation between total extractives measured by fiber analysis and NDF/ADF. That is, detergent analysis data is correlated to dietary fiber analysis data for structural carbohydrates, but only indirectly; the main correlation is between detergent analysis data and solvent extraction data produced during the dietary fiber analysis procedure.

  1. Gait Correlation Analysis Based Human Identification

    Directory of Open Access Journals (Sweden)

    Jinyan Chen

    2014-01-01

    Full Text Available Human gait identification aims to identify people by a sequence of walking images. Comparing with fingerprint or iris based identification, the most important advantage of gait identification is that it can be done at a distance. In this paper, silhouette correlation analysis based human identification approach is proposed. By background subtracting algorithm, the moving silhouette figure can be extracted from the walking images sequence. Every pixel in the silhouette has three dimensions: horizontal axis (x, vertical axis (y, and temporal axis (t. By moving every pixel in the silhouette image along these three dimensions, we can get a new silhouette. The correlation result between the original silhouette and the new one can be used as the raw feature of human gait. Discrete Fourier transform is used to extract features from this correlation result. Then, these features are normalized to minimize the affection of noise. Primary component analysis method is used to reduce the features’ dimensions. Experiment based on CASIA database shows that this method has an encouraging recognition performance.

  2. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy.

    Science.gov (United States)

    Qu, Lei; Chen, Jian-Bo; Zhang, Gui-Jun; Sun, Su-Qin; Zheng, Jing

    2017-03-05

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p=0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  3. Chemical profiling and adulteration screening of Aquilariae Lignum Resinatum by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation infrared (2D-IR) spectroscopy

    Science.gov (United States)

    Qu, Lei; Chen, Jian-bo; Zhang, Gui-Jun; Sun, Su-qin; Zheng, Jing

    2017-03-01

    As a kind of expensive perfume and valuable herb, Aquilariae Lignum Resinatum (ALR) is often adulterated for economic motivations. In this research, Fourier transform infrared (FT-IR) spectroscopy is employed to establish a simple and quick method for the adulteration screening of ALR. First, the principal chemical constituents of ALR are characterized by FT-IR spectroscopy at room temperature and two-dimensional correlation infrared (2D-IR) spectroscopy with thermal perturbation. Besides the common cellulose and lignin compounds, a certain amount of resin is the characteristic constituent of ALR. Synchronous and asynchronous 2D-IR spectra indicate that the resin (an unstable secondary metabolite) is more sensitive than cellulose and lignin (stable structural constituents) to the thermal perturbation. Using a certified ALR sample as the reference, the infrared spectral correlation threshold is determined by 30 authentic samples and 6 adulterated samples. The spectral correlation coefficient of an authentic ALR sample to the standard reference should be not less than 0.9886 (p = 0.01). Three commercial adulterated ALR samples are identified by the correlation threshold. Further interpretation of the infrared spectra of the adulterated samples indicates the common adulterating methods - counterfeiting with other kind of wood, adding ingredient such as sand to increase the weight, and adding the cheap resin such as rosin to increase the content of resin compounds. Results of this research prove that FT-IR spectroscopy can be used as a simple and accurate quality control method of ALR.

  4. Metrics correlation and analysis service (MCAS)

    Energy Technology Data Exchange (ETDEWEB)

    Baranovski, Andrew; Dykstra, Dave; Garzoglio, Gabriele; Hesselroth, Ted; Mhashilkar, Parag; Levshina, Tanya; /Fermilab

    2009-05-01

    The complexity of Grid workflow activities and their associated software stacks inevitably involves multiple organizations, ownership, and deployment domains. In this setting, important and common tasks such as the correlation and display of metrics and debugging information (fundamental ingredients of troubleshooting) are challenged by the informational entropy inherent to independently maintained and operated software components. Because such an information 'pond' is disorganized, it a difficult environment for business intelligence analysis i.e. troubleshooting, incident investigation and trend spotting. The mission of the MCAS project is to deliver a software solution to help with adaptation, retrieval, correlation, and display of workflow-driven data and of type-agnostic events, generated by disjoint middleware.

  5. Microscopic theory of photon-correlation spectroscopy in strong-coupling semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Schneebeli, Lukas

    2009-11-27

    would be a great contribution in the growing field of quantum optics in semiconductors. The efforts in QD systems are again driven by the atomic systems which not only have shown the vacuum Rabi splitting, but also the second rung, e.g. via direct spectroscopy and via photon-correlation measurements. In this thesis, it is shown that spectrally resolved photon-statistics measurements of the resonance fluorescence from realistic semiconductor quantum-dot systems allow for high contrast identification of the two-photon strong-coupling states. Using a microscopic theory, the second-rung resonance of Jaynes-Cummings ladder is analyzed and optimum excitation conditions are determined. The computed photon-statistics spectrum displays gigantic, experimentally robust resonances at the energetic positions of the second-rung emission. The resonance fluorescence equations are derived and solved for strong-coupling semiconductor quantum-dot systems using a fully quantized multimode theory and a cluster-expansion approach. A reduced model is developed to explain the origin of auto- and cross-correlation resonances in the two-photon emission spectrum of the fluorescent light. These resonances are traced back to the two-photon strong-coupling states of Jaynes-Cummings ladder. The accuracy of the reduced model is verified via numerical solution of the resonance fluorescence equations. The analysis reveals the direct relation between the squeezed-light emission and the strong-coupling states in optically excited semiconductor systems. (orig.)

  6. Multivariate Longitudinal Analysis with Bivariate Correlation Test

    Science.gov (United States)

    Adjakossa, Eric Houngla; Sadissou, Ibrahim; Hounkonnou, Mahouton Norbert; Nuel, Gregory

    2016-01-01

    In the context of multivariate multilevel data analysis, this paper focuses on the multivariate linear mixed-effects model, including all the correlations between the random effects when the dimensional residual terms are assumed uncorrelated. Using the EM algorithm, we suggest more general expressions of the model’s parameters estimators. These estimators can be used in the framework of the multivariate longitudinal data analysis as well as in the more general context of the analysis of multivariate multilevel data. By using a likelihood ratio test, we test the significance of the correlations between the random effects of two dependent variables of the model, in order to investigate whether or not it is useful to model these dependent variables jointly. Simulation studies are done to assess both the parameter recovery performance of the EM estimators and the power of the test. Using two empirical data sets which are of longitudinal multivariate type and multivariate multilevel type, respectively, the usefulness of the test is illustrated. PMID:27537692

  7. [Study on the processing of leech by FTIR and 2D-IR correlation spectroscopy].

    Science.gov (United States)

    Li, Bing-Ning; Wu, Yan-Wen; Ouyang, Jie; Sun, Su-Qin; Chen, Shun-Cong

    2011-04-01

    The chemical differences of traditional Chinese medicine leech before and after processing were analyzed by FTIR and two-dimensional correlation infrared (2D-IR) spectroscopy. The result showed that the leech was high in protein, with characteristic peaks of amide I, II bands. Comparing the IR spectra of samples, the primary difference was that the characteristic peak of fresh leech was at 1 543 cm(-1), while that of crude and processed leech was at 1 535 cm(-1). A 2D-IR spectrum with heating perturbation was used to track the processing dynamics of leech In the 2D-IR correlation spectra, fresh leech exhibited stronger automatic peaks of the amide I and II bands than that of processed leech, which indicates that the protein components of the fresh leech were more sensitive to heat perturbation than the processed one. Moreover, the result of FTIR and 2D-IR correlation spectra validated that the 3-dimensional structure of protein was damaged and hydrogen bonds were broken after processing, which resulted in the inactivation of protein. The fatty acids and cholesterol components of leech were also oxidized in this process.

  8. High Frequency Sampling of TTL Pulses on a Raspberry Pi for Diffuse Correlation Spectroscopy Applications.

    Science.gov (United States)

    Tivnan, Matthew; Gurjar, Rajan; Wolf, David E; Vishwanath, Karthik

    2015-08-12

    Diffuse Correlation Spectroscopy (DCS) is a well-established optical technique that has been used for non-invasive measurement of blood flow in tissues. Instrumentation for DCS includes a correlation device that computes the temporal intensity autocorrelation of a coherent laser source after it has undergone diffuse scattering through a turbid medium. Typically, the signal acquisition and its autocorrelation are performed by a correlation board. These boards have dedicated hardware to acquire and compute intensity autocorrelations of rapidly varying input signal and usually are quite expensive. Here we show that a Raspberry Pi minicomputer can acquire and store a rapidly varying time-signal with high fidelity. We show that this signal collected by a Raspberry Pi device can be processed numerically to yield intensity autocorrelations well suited for DCS applications. DCS measurements made using the Raspberry Pi device were compared to those acquired using a commercial hardware autocorrelation board to investigate the stability, performance, and accuracy of the data acquired in controlled experiments. This paper represents a first step toward lowering the instrumentation cost of a DCS system and may offer the potential to make DCS become more widely used in biomedical applications.

  9. High Frequency Sampling of TTL Pulses on a Raspberry Pi for Diffuse Correlation Spectroscopy Applications

    Directory of Open Access Journals (Sweden)

    Matthew Tivnan

    2015-08-01

    Full Text Available Diffuse Correlation Spectroscopy (DCS is a well-established optical technique that has been used for non-invasive measurement of blood flow in tissues. Instrumentation for DCS includes a correlation device that computes the temporal intensity autocorrelation of a coherent laser source after it has undergone diffuse scattering through a turbid medium. Typically, the signal acquisition and its autocorrelation are performed by a correlation board. These boards have dedicated hardware to acquire and compute intensity autocorrelations of rapidly varying input signal and usually are quite expensive. Here we show that a Raspberry Pi minicomputer can acquire and store a rapidly varying time-signal with high fidelity. We show that this signal collected by a Raspberry Pi device can be processed numerically to yield intensity autocorrelations well suited for DCS applications. DCS measurements made using the Raspberry Pi device were compared to those acquired using a commercial hardware autocorrelation board to investigate the stability, performance, and accuracy of the data acquired in controlled experiments. This paper represents a first step toward lowering the instrumentation cost of a DCS system and may offer the potential to make DCS become more widely used in biomedical applications.

  10. Proton magnetic resonance spectroscopy detection of neurotransmitters in dorsomedial medulla correlate with spontaneous baroreceptor reflex function.

    Science.gov (United States)

    Garcia-Espinosa, Maria A; Shaltout, Hossam A; Olson, John; Westwood, Brian M; Robbins, Mike E; Link, Kerry; Diz, Debra I

    2010-02-01

    Control of heart rate variability via modulation of sympathovagal balance is a key function of nucleus tractus solitarii and the dorsal motor nucleus of the vagus localized in the dorsomedial medulla oblongata. Normal blood pressure regulation involves precise balance of glutamate (Glu)-glutamine-gamma-aminobutyric acid transmitter systems, and angiotensin II modulates these transmitters to produce tonic suppression of reflex function. It is not known, however, whether other brain transmitters/metabolites are indicators of baroreflex function. This study establishes the concept that comprehensive baseline transmitter/metabolite profiles obtained using in vivo (1)H magnetic resonance spectroscopy in rats with well-characterized differences in resting blood pressure and baroreflex function can be used as indices of autonomic balance or baroreflex sensitivity. Transgenic rats with over-expression of renin [m(Ren2)27] or under-expression of glial-angiotensinogen (ASrAogen) were compared with Sprague-Dawley rats. Glu concentration in the dorsal medulla is significantly higher in ASrAogen rats compared with either Sprague-Dawley or (mRen2)27 rats. Glu levels and the ratio of Glu:glutamine correlated positively with indices of higher vagal tone consistent with the importance of these neurotransmitters in baroreflex function. Interestingly, the levels of choline-containing metabolites showed a significant positive correlation with spontaneous baroreflex sensitivity and a negative correlation with sympathetic tone. Thus, we demonstrate the concept that noninvasive assessment of neurochemical biomarkers may be used as an index of baroreflex sensitivity.

  11. Nanomechanical Infrared Spectroscopy with Vibrating Filters for Pharmaceutical Analysis

    DEFF Research Database (Denmark)

    Kurek, Maksymilian; Carnoy, Matthias; Larsen, Peter Emil

    2017-01-01

    Standard infrared spectroscopy techniques are well-developed and widely used. However, they typically require milligrams of sample and can involve time-consuming sample preparation. A promising alternative is represented by nanomechanical infrared spectroscopy (NAM-IR) based on the photothermal...... response of a nanomechanical resonator, which enables the chemical analysis of picograms of analyte directly from a liquid solution in only a few minutes. Herein, we present NAM-IR using perforated membranes (filters). The method was tested with the pharmaceutical compound indomethacin to successfully...... perform a chemical and morphological analysis on roughly 100 pg of sample. With an absolute estimated sensitivity of 109±15 fg, the presented method is suitable for ultrasensitive vibrational spectroscopy....

  12. 2DCOS and I. Three decades of two-dimensional correlation spectroscopy

    Science.gov (United States)

    Noda, Isao

    2016-11-01

    Historical and personal accounts of the development of two-dimensional correlation spectroscopy (2DCOS) in the last 30 years are presented. 2DCOS originally started as a data sorting technique developed specifically for dynamic IR linear dichroism (DIRLD) spectra of polymers observed under a small amplitude sinusoidal strain. The concept was later generalized to provide a surprisingly versatile analytical tool to study many different types of samples under the influence of not only dynamic but also various static perturbations. Introduction of the efficient computational method based on discrete Hilbert transform and availability of software, as well as the comprehensive textbook in the field, have made the widespread and continuously growing use of 2DCOS technique possible. Evolution of the technique to incorporate new and variant forms of 2DCOS is also noted.

  13. Binding of hairpin polyamides to DNA studied by fluorescence correlation spectroscopy for DNA nanoarchitectures

    Energy Technology Data Exchange (ETDEWEB)

    Nandi, Chayan K.; Parui, Partha P.; Brutschy, Bernhard [University of Frankfurt, Institute for Physical and Theoretical Chemistry, Frankfurt (Germany); Schmidt, Thorsten L.; Heckel, Alexander [University of Frankfurt, Cluster of Excellence Macromolecular Complexes, c/o Institute for Organic Chemistry and Chemical Biology, Frankfurt (Germany)

    2008-03-15

    We have recently constructed a ''DNA strut'' consisting of two DNA-binding hairpin polyamides of Dervan-type connected via a long flexible linker and were able to show that this strut can be used to sequence-selectively connect DNA helices. This approach provides a second structural element (besides the Watson-Crick base pairing) for the assembly of higher-order DNA nanoarchitectures from smaller DNA building blocks. Since none of the existing analytical techniques for studying this kind of system were found suitable for detection and quantification of the formation of the resulting complexes, we chose fluorescence correlation spectroscopy (FCS). In the present study we show that FCS allowed us in a versatile and fast way to investigate the binding of Dervan polyamides to DNA. In particular it also shows its power in the quantitative detection of the formation of multimeric complexes and the in investigation of binding under nonphysiological conditions. (orig.)

  14. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes.

    Science.gov (United States)

    Li, Y; Zakharov, D; Zhao, S; Tappero, R; Jung, U; Elsen, A; Baumann, Ph; Nuzzo, R G; Stach, E A; Frenkel, A I

    2015-06-29

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction-ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.

  15. Structure and dynamics of fluorescently labeled complex fluids by fourier imaging correlation spectroscopy

    Science.gov (United States)

    Grassman; Knowles; Marcus

    2000-12-01

    We present a method of Fourier imaging correlation spectroscopy (FICS) that performs phase-sensitive measurements of modulated optical signals from fluorescently labeled complex fluids. FICS experiments probe the time-dependent trajectory of a spatial Fourier component of the fluid particle density at a specified wave number k, and provide a direct route to the intermediate scattering function. The FICS approach overcomes signal sensitivity problems associated with dynamic light scattering, while offering a means to acquire time-dependent information about spatial distributions of fluorescent particles, superior in efficiency to direct imaging methods. We describe the instrumental setup necessary to perform FICS experiments, and outline the theory that establishes the connection between FICS observables and statistical mechanical quantities describing liquid state dynamics. Test measurements on monolayer suspensions of rhodamine labeled polystyrene spheres are detailed.

  16. DNA binding activity of Anabaena sensory rhodopsin transducer probed by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Kim, Sung Hyun; Kim, So Young; Jung, Kwang-Hwan; Kim, Doseok

    2015-01-01

    Anabaena sensory rhodopsin transducer (ASRT) is believed to be a major player in the photo-signal transduction cascade, which is triggered by Anabaena sensory rhodopsin. Here, we characterized DNA binding activity of ASRT probed by using fluorescence correlation spectroscopy. We observed clear decrease of diffusion coefficient of DNA upon binding of ASRT. The dissociation constant, K(D), of ASRT to 20 bp-long DNA fragments lied in micro-molar range and varied moderately with DNA sequence. Our results suggest that ASRT may interact with several different regions of DNA with different binding affinity for global regulation of several genes that need to be activated depending on the light illumination.

  17. Complex structural dynamics of nanocatalysts revealed in Operando conditions by correlated imaging and spectroscopy probes

    Science.gov (United States)

    Li, Y.; Zakharov, D.; Zhao, S.; Tappero, R.; Jung, U.; Elsen, A.; Baumann, Ph.; Nuzzo, R. G.; Stach, E. A.; Frenkel, A. I.

    2015-06-01

    Understanding how heterogeneous catalysts change size, shape and structure during chemical reactions is limited by the paucity of methods for studying catalytic ensembles in working state, that is, in operando conditions. Here by a correlated use of synchrotron X-ray absorption spectroscopy and scanning transmission electron microscopy in operando conditions, we quantitatively describe the complex structural dynamics of supported Pt catalysts exhibited during an exemplary catalytic reaction--ethylene hydrogenation. This work exploits a microfabricated catalytic reactor compatible with both probes. The results demonstrate dynamic transformations of the ensemble of Pt clusters that spans a broad size range throughout changing reaction conditions. This method is generalizable to quantitative operando studies of complex systems using a wide variety of X-ray and electron-based experimental probes.

  18. Measuring the diffusion coefficient of ganglioside on cell membrane by fluorescence correlation spectroscopy

    Science.gov (United States)

    Dong, Shiqing; You, Minghai; Chen, Jianling; Zhou, Jie; Xie, Shusen; Yang, Hongqin

    2017-06-01

    The fluidity of proteins and lipids on cell membrane plays an important role in cell’s physiological functions. Fluorescence correlation spectroscopy (FCS) is an effective technique to detect the rapid dynamic behaviors of proteins and/or lipids in living cells. In this study, we used the rhodamine6G solution to optimize the FCS system. And, cholera toxin B subunit (CT-B) was used to label ganglioside on living Hela cell membranes. The diffusion time and coefficients of ganglioside can be obtained through fitting the autocorrelation curve based on the model of two-dimensional cell membrane. The results showed that the diffusion coefficients of ganglioside distributed within a wide range. It revealed the lateral diffusion of lipids on cell membrane was inhomogeneous, which was due to different microstructures of cytoplasmic membrane. The study provides a helpful method for further studying the dynamic characteristics of proteins and lipids molecules on living cell membrane.

  19. Two-Dimensional UV Absorption Correlation Spectroscopy as a Method for the Detection of Thiamethoxam Residue in Tea

    Science.gov (United States)

    Zhang, J.; Zhao, Zh.; Wang, L.; Zhu, X.; Shen, L.; Yu, Y.

    2015-05-01

    Two-dimensional correlation spectroscopy (2D-COS) combined with UV absorption spectroscopy was evaluated as a technique for the identification of spectral regions associated with the residues of thiamethoxam in tea. There is only one absorption peak at 275 nm in the absorption spectrum of a mixture of thiamethoxam and tea, which is the absorption peak of tea. Based on 2D-COS, the absorption peak of thiamethoxam at 250 nm is extracted from the UV spectra of the mixture. To determine the residue of thiamethoxam in tea, 250 nm is selected as the measured wavelength, at which the fitting result is as follows: the residual sum of squares is 0.01375, standard deviation R2 is 0.99068, and F value is 426. Statistical analysis shows that there is a significant linear relationship between the concentration of thiamethoxam in tea and the absorbance at 250 nm in the UV spectra of the mixture. Moreover, the average prediction error is 0.0033 and the prediction variance is 0.1654, indicating good predictive result. Thus, the UV absorption spectrum can be used as a measurement method for rapid detection of thiamethoxam residues in tea.

  20. Two-dimensional fluorescence correlation spectroscopy IV: Resolution of fluorescence of tryptophan residues in alcohol dehydrogenase and lysozyme

    Science.gov (United States)

    Fukuma, Hiroaki; Nakashima, Kenichi; Ozaki, Yukihiro; Noda, Isao

    2006-11-01

    Generalized two-dimensional (2D) fluorescence correlation spectroscopy has been used to resolve the fluorescence spectra of two tryptophan (Trp) residues in alcohol dehydrogenase and lysozyme. In each protein, one Trp residue is buried in a hydrophobic domain of the protein matrix and the other Trp residue is located at a hydrophilic domain close to the protein-water interface. Fluorescence quenching by iodide ion, a hydrophilic quencher, was employed as a perturbation to induce the intensity change in the spectra. The Trp residue which is located at the hydrophilic domain is effectively quenched by the quencher, while the Trp residue located at the hydrophobic domain is protected from the quenching. Therefore, the fluorescence of these two Trp residues have a different sensitivity to the quenching, showing a different response to the concentration of the quencher. Fluorescence spectra of the two Trp residues in alcohol dehydrogenase, which are heavily overlapped in conventional one-dimensional spectra, have been successfully resolved by the 2D correlation technique. From the asynchronous correlation map, it was revealed that the quenching of Trp located at the hydrophobic part was brought about after that of Trp located at the hydrophilic part. In contrast, the fluorescence spectra of the two Trp residues could not be resolved after the alcohol dehydrogenase was denatured with guanidine hydrochloride. These results are consistent with the well-known structure of alcohol dehydrogenase. Furthermore, it was elucidated that the present 2D analysis is not interfered by Raman bands of the solvent, which sometimes bring difficulty into the conventional fluorescence analysis. Fluorescence spectra of the Trp residues in lysozyme could not be resolved by the 2D correlation technique. The differences between the two proteins are attributed to the fact that the Trp residue in the hydrophobic site of lysozyme is not sufficiently protected from the quenching.

  1. Genome-wide analysis correlates Ayurveda Prakriti.

    Science.gov (United States)

    Govindaraj, Periyasamy; Nizamuddin, Sheikh; Sharath, Anugula; Jyothi, Vuskamalla; Rotti, Harish; Raval, Ritu; Nayak, Jayakrishna; Bhat, Balakrishna K; Prasanna, B V; Shintre, Pooja; Sule, Mayura; Joshi, Kalpana S; Dedge, Amrish P; Bharadwaj, Ramachandra; Gangadharan, G G; Nair, Sreekumaran; Gopinath, Puthiya M; Patwardhan, Bhushan; Kondaiah, Paturu; Satyamoorthy, Kapaettu; Valiathan, Marthanda Varma Sankaran; Thangaraj, Kumarasamy

    2015-10-29

    The practice of Ayurveda, the traditional medicine of India, is based on the concept of three major constitutional types (Vata, Pitta and Kapha) defined as "Prakriti". To the best of our knowledge, no study has convincingly correlated genomic variations with the classification of Prakriti. In the present study, we performed genome-wide SNP (single nucleotide polymorphism) analysis (Affymetrix, 6.0) of 262 well-classified male individuals (after screening 3416 subjects) belonging to three Prakritis. We found 52 SNPs (p ≤ 1 × 10(-5)) were significantly different between Prakritis, without any confounding effect of stratification, after 10(6) permutations. Principal component analysis (PCA) of these SNPs classified 262 individuals into their respective groups (Vata, Pitta and Kapha) irrespective of their ancestry, which represent its power in categorization. We further validated our finding with 297 Indian population samples with known ancestry. Subsequently, we found that PGM1 correlates with phenotype of Pitta as described in the ancient text of Caraka Samhita, suggesting that the phenotypic classification of India's traditional medicine has a genetic basis; and its Prakriti-based practice in vogue for many centuries resonates with personalized medicine.

  2. [Effect of temperature on the aggregation behavior of collagen solution by two-dimensional synchronous fluorescence correlation spectroscopy].

    Science.gov (United States)

    Wu, Wan-ye; Wu, Kun; Li, Guo-ying

    2015-02-01

    The synchronous fluorescence spectroscopy and two dimensional correlation analysis method were applied to study the aggregation behavior of acid-soluble collagen solutions (0.2, 0.4 and 1.6 mg x mL(-1)) during the heating process of 10-70 degrees C. It was found that the fluorescence excited at 292 and 282 nm (delta lamda=9 nm) belongs to the tyrosine (Tyr) residues which participate in forming hydrogen bonds or not, respectively. The two dimensional correlation analysis with the temperature varying showed that with the temperature increased (10-30 degrees C) hydrogen bonds among collagen molecular with Tyr residues formed in the 0.2 mg x mL(-1) collagen solution, while the higher aggregations of collagen molecular and hydrophobic micro-domains appeared in the 0.4 and 1.6 mg x mL(-1) collagen solutions. With approaching the denatured temperature of collagen (36-38 degrees C), the hydrophobic micro-domain and aggregates seemed to be broken in the 0.4 and 1.6 mg x mL(-1) collagen solutions, however the hydrogen bonds in the 0.2 mg x mL(-1) were stable. Above the denaturation temperature of collagen, the triple-helix structure of collagen molecular in solution of each concentration tended to be loose. In the heating process of 45-70 degrees C, this trend was more obvious.

  3. Raster image correlation spectroscopy (RICS) for measuring fast protein dynamics and concentrations with a commercial laser scanning confocal microscope.

    Science.gov (United States)

    Brown, C M; Dalal, R B; Hebert, B; Digman, M A; Horwitz, A R; Gratton, E

    2008-01-01

    Raster image correlation spectroscopy (RICS) is a new and novel technique for measuring molecular dynamics and concentrations from fluorescence confocal images. The RICS technique extracts information about molecular dynamics and concentrations from images of living cells taken on commercial confocal systems. Here we develop guidelines for performing the RICS analysis on an analogue commercial laser scanning confocal microscope. Guidelines for typical instrument settings, image acquisition settings and analogue detector characterization are presented. Using appropriate instrument/acquisition parameters, diffusion coefficients and concentrations can be determined, even for highly dynamic dye molecules in solution. Standard curves presented herein demonstrate the ability to detect protein concentrations as low as approximately 2 nM. Additionally, cellular measurements give accurate values for the diffusion of paxillin-enhanced-green fluorescent protein (EGFP), an adhesion adaptor molecule, in the cytosol of the cell and also show slower paxillin dynamics near adhesions where paxillin interacts with immobile adhesion components. Methods are presented to account for bright immobile structures within the cell that dominate spatial correlation functions; allowing the extraction of fast protein dynamics within and near these structures. A running average algorithm is also presented to address slow cellular movement or movement of cellular features such as adhesions. Finally, methods to determine protein concentration in the presence of immobile structures within the cell are presented. A table is presented giving guidelines for instrument and imaging setting when performing RICS on the Olympus FV300 confocal and these guidelines are a starting point for performing the analysis on other commercial confocal systems.

  4. Integration of Correlative Raman microscopy in a dual beam FIB-SEM J. of Raman Spectroscopy

    NARCIS (Netherlands)

    Timmermans, Frank Jan; Liszka, B.; Lenferink, Aufrid T.M.; van Wolferen, Hendricus A.G.M.; Otto, Cornelis

    2016-01-01

    We present an integrated confocal Raman microscope in a focused ion beam scanning electron microscope (FIB SEM). The integrated system enables correlative Raman and electron microscopic analysis combined with focused ion beam sample modification on the same sample location. This provides new

  5. Linearly Polarized IR Spectroscopy Theory and Applications for Structural Analysis

    CERN Document Server

    Kolev, Tsonko

    2011-01-01

    A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, "Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis" demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscop

  6. Measurement of the hydrodynamic radius of quantum dots by fluorescence correlation spectroscopy excluding blinking.

    Science.gov (United States)

    de Thomaz, A A; Almeida, D B; Pelegati, V B; Carvalho, H F; Cesar, C L

    2015-03-19

    One of the most important properties of quantum dots (QDs) is their size. Their size will determine optical properties and in a colloidal medium their range of interaction. The most common techniques used to measure QD size are transmission electron microscopy (TEM) and X-ray diffraction. However, these techniques demand the sample to be dried and under a vacuum. This way any hydrodynamic information is excluded and the preparation process may alter even the size of the QDs. Fluorescence correlation spectroscopy (FCS) is an optical technique with single molecule sensitivity capable of extracting the hydrodynamic radius (HR) of the QDs. The main drawback of FCS is the blinking phenomenon that alters the correlation function implicating in a QD apparent size smaller than it really is. In this work, we developed a method to exclude blinking of the FCS and measured the HR of colloidal QDs. We compared our results with TEM images, and the HR obtained by FCS is higher than the radius measured by TEM. We attribute this difference to the cap layer of the QD that cannot be seen in the TEM images.

  7. Monitoring the staling of wheat bread using 2D MIR-NIR correlation spectroscopy

    DEFF Research Database (Denmark)

    Ringsted, Tine; Siesler, Heinz Wilhelm; Engelsen, Søren Balling

    2017-01-01

    Staling of bread is a major source of food waste and efficient monitoring of it can help the food industry in the development of anti-staling recipes. While the staling fingerprint in the mid-infrared region is fairly well established this paper set out to find the most informative parts of the n......Staling of bread is a major source of food waste and efficient monitoring of it can help the food industry in the development of anti-staling recipes. While the staling fingerprint in the mid-infrared region is fairly well established this paper set out to find the most informative parts...... of the near-infrared spectra with respect to staling. For this purpose, two-dimensional correlation spectroscopy on near- and mid-infrared spectra of wheat bread crumb during aging was employed for the first time. The important mid-infrared absorption band at 1047 cm−1 related to amylopectin retrogradation...... was found to correlate positively with increased bread hardness and to co-vary with the near-infrared band at 910 nm in the short wavelength region (r2 = 0.88 to hardness), the near-infrared band at 1688 nm in the 1. overtone region (r2 = 0.97 to hardness) and to the near-infrared band in the long...

  8. Correlation spectroscopy and molecular dynamics simulations to study the structural features of proteins.

    Directory of Open Access Journals (Sweden)

    Antonio Varriale

    Full Text Available In this work, we used a combination of fluorescence correlation spectroscopy (FCS and molecular dynamics (MD simulation methodologies to acquire structural information on pH-induced unfolding of the maltotriose-binding protein from Thermus thermophilus (MalE2. FCS has emerged as a powerful technique for characterizing the dynamics of molecules and it is, in fact, used to study molecular diffusion on timescale of microsecond and longer. Our results showed that keeping temperature constant, the protein diffusion coefficient decreased from 84±4 µm(2/s to 44±3 µm(2/s when pH was changed from 7.0 to 4.0. An even more marked decrease of the MalE2 diffusion coefficient (31±3 µm(2/s was registered when pH was raised from 7.0 to 10.0. According to the size of MalE2 (a monomeric protein with a molecular weight of 43 kDa as well as of its globular native shape, the values of 44 µm(2/s and 31 µm(2/s could be ascribed to deformations of the protein structure, which enhances its propensity to form aggregates at extreme pH values. The obtained fluorescence correlation data, corroborated by circular dichroism, fluorescence emission and light-scattering experiments, are discussed together with the MD simulations results.

  9. Blood flow measurement of human skeletal muscle during various exercise intensity using diffuse correlation spectroscopy (DCS)

    Science.gov (United States)

    Murakami, Yuya; Ono, Yumie; Ichinose, Masashi

    2017-02-01

    We studied blood flow dynamics of active skeletal muscle using diffuse correlation spectroscopy (DCS), an emerging optical modality that is suitable for noninvasive quantification of microcirculation level in deep tissue. Seven healthy subjects conducted 0.5 Hz dynamic handgrip exercise for 3 minutes at intensities of 10, 20, 30, and 50 % of maximal voluntary contraction (MVC). DCS could detect the time-dependent increase of the blood flow response of the forearm muscle for continuous exercises, and the increase ratios of the mean blood flow through the exercise periods showed good correlation with the exercise intensities. We also compared blood flow responses detected from DCS with two different photon sampling rates and found that an appropriate photon sampling rates should be selected to follow the wide-ranged increase in the muscle blood flow with dynamic exercise. Our results demonstrate the possibility for utilizing DCS in a field of sports medicine to noninvasively evaluate the dynamics of blood flow in the active muscles.

  10. [Specific interaction study in collagen/hyaluronic acid blends by two-dimensional infrared correlation spectroscopy].

    Science.gov (United States)

    Tan, Qing-Tian; Tian, Zhen-Hua; Li, Guo-Ying

    2011-04-01

    Conformational changes and specific interactions in the collagen/hyaluronic acid blends were studied by two-dimensional infrared correlation spectroscopy with the interruption of the component of hyaluronic acid in collagen/ hyaluronic acid blends. It was found that the synchronous cross-peaks, derived from stretching vibrations of C=O at 1 694 cm(-1), wagging of N-H at 1 524 cm(-1) and in-plane deformation of N-H at 1 241 cm(-1) of collagen, were indicative of local conformational changes of collagen. The synchronous negative cross-peak between stretching vibrations of C-OH of hyaluronic acid at 1 045 cm(-1) and streching vibrations of C=O of collagen at 1 694 cm(-1) suggested that the interaction of hydrogen bonding existing between O-H of HA and C=O of collagen with the content of HA varied from 0% to 50%. With the content of HA more than 50%, the cross-peak at 1 045 cm(-1) disappeared in synchronous correlation spectra while the intensity of cross-peak at (1 694, 1 524), (1 694, 1 241), (1 524, 1 241) increased, which indicated that no interaction was found between O-H of HA and collagen, however, the interactions of hydrogen bonding existed between C=O of HA and N-H of collagen, resulting in the conformational changes of collagen.

  11. Determination of Dynamics of Plant Plasma Membrane Proteins with Fluorescence Recovery and Raster Image Correlation Spectroscopy.

    Science.gov (United States)

    Laňková, Martina; Humpolíčková, Jana; Vosolsobě, Stanislav; Cit, Zdeněk; Lacek, Jozef; Čovan, Martin; Čovanová, Milada; Hof, Martin; Petrášek, Jan

    2016-04-01

    A number of fluorescence microscopy techniques are described to study dynamics of fluorescently labeled proteins, lipids, nucleic acids, and whole organelles. However, for studies of plant plasma membrane (PM) proteins, the number of these techniques is still limited because of the high complexity of processes that determine the dynamics of PM proteins and the existence of cell wall. Here, we report on the usage of raster image correlation spectroscopy (RICS) for studies of integral PM proteins in suspension-cultured tobacco cells and show its potential in comparison with the more widely used fluorescence recovery after photobleaching method. For RICS, a set of microscopy images is obtained by single-photon confocal laser scanning microscopy (CLSM). Fluorescence fluctuations are subsequently correlated between individual pixels and the information on protein mobility are extracted using a model that considers processes generating the fluctuations such as diffusion and chemical binding reactions. As we show here using an example of two integral PM transporters of the plant hormone auxin, RICS uncovered their distinct short-distance lateral mobility within the PM that is dependent on cytoskeleton and sterol composition of the PM. RICS, which is routinely accessible on modern CLSM instruments, thus represents a valuable approach for studies of dynamics of PM proteins in plants.

  12. Molecular double core-hole electron spectroscopy for chemical analysis

    CERN Document Server

    Tashiro, Motomichi; Fukuzawa, Hironobu; Ueda, Kiyoshi; Buth, Christian; Kryzhevoi, Nikolai V; Cederbaum, Lorenz S

    2010-01-01

    We explore the potential of double core hole electron spectroscopy for chemical analysis in terms of x-ray two-photon photoelectron spectroscopy (XTPPS). The creation of deep single and double core vacancies induces significant reorganization of valence electrons. The corresponding relaxation energies and the interatomic relaxation energies are evaluated by CASSCF calculations. We propose a method how to experimentally extract these quantities by the measurement of single and double core-hole ionization potentials (IPs and DIPs). The influence of the chemical environment on these DIPs is also discussed for states with two holes at the same atomic site and states with two holes at two different atomic sites. Electron density difference between the ground and double core-hole states clearly shows the relaxations accompanying the double core-hole ionization. The effect is also compared with the sensitivity of single core hole ionization potentials (IPs) arising in single core hole electron spectroscopy. We have ...

  13. Chiral Analysis of Isopulegol by Fourier Transform Molecular Rotational Spectroscopy

    Science.gov (United States)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Chiral analysis on molecules with multiple chiral centers can be performed using pulsed-jet Fourier transform rotational spectroscopy. This analysis includes quantitative measurement of diastereomer products and, with the three wave mixing methods developed by Patterson, Schnell, and Doyle (Nature 497, 475-477 (2013)), quantitative determination of the enantiomeric excess of each diastereomer. The high resolution features enable to perform the analysis directly on complex samples without the need for chromatographic separation. Isopulegol has been chosen to show the capabilities of Fourier transform rotational spectroscopy for chiral analysis. Broadband rotational spectroscopy produces spectra with signal-to-noise ratio exceeding 1000:1. The ability to identify low-abundance (0.1-1%) diastereomers in the sample will be described. Methods to rapidly identify rotational spectra from isotopologues at natural abundance will be shown and the molecular structures obtained from this analysis will be compared to theory. The role that quantum chemistry calculations play in identifying structural minima and estimating their spectroscopic properties to aid spectral analysis will be described. Finally, the implementation of three wave mixing techniques to measure the enantiomeric excess of each diastereomer and determine the absolute configuration of the enantiomer in excess will be described.

  14. Rapid identification of Pterocarpus santalinus and Dalbergia louvelii by FTIR and 2D correlation IR spectroscopy

    Science.gov (United States)

    Zhang, Fang-Da; Xu, Chang-Hua; Li, Ming-Yu; Huang, An-Min; Sun, Su-Qin

    2014-07-01

    Since Pterocarpus santalinus and Dalbergia louvelii, which are of precious Rosewood, are very similar in their appearance and anatomy characteristics, cheaper Hongmu D. louvelii is often illegally used to impersonate valuable P. santalinus, especially in Chinese furniture manufacture. In order to develop a rapid and effective method for easy confused wood furniture differentiation, we applied tri-step identification method, i.e., conventional infrared spectroscopy (FT-IR), second derivative infrared (SD-IR) spectroscopy and two-dimensional correlation infrared (2DCOS-IR) spectroscopy to investigate P. santalinus and D. louvelii furniture. According to FT-IR and SD-IR spectra, it has been found two unconditional stable difference at 848 cm-1 and 700 cm-1 and relative stable differences at 1735 cm-1, 1623 cm-1, 1614 cm-1, 1602 cm-1, 1509 cm-1, 1456 cm-1, 1200 cm-1, 1158 cm-1, 1055 cm-1, 1034 cm-1 and 895 cm-1 between D. louvelii and P. santalinus IR spectra. The stable discrepancy indicates that the category of extractives is different between the two species. Besides, the relative stable differences imply that the content of holocellulose in P. santalinus is more than that of D. louvelii, whereas the quantity of extractives in D. louvelii is higher. Furthermore, evident differences have been observed in their 2DCOS-IR spectra of 1550-1415 cm-1 and 1325-1030 cm-1. P. santalinus has two strong auto-peaks at 1459 cm-1 and 1467 cm-1, three mid-strong auto-peaks at 1518 cm-1, 1089 cm-1 and 1100 cm-1 and five weak auto-peaks at 1432 cm-1, 1437 cm-1, 1046 cm-1, 1056 cm-1 and 1307 cm-1 while D. louvelii has four strong auto-peaks at 1465 cm-1, 1523 cm-1, 1084 cm-1 and 1100 cm-1, four mid-strong auto-peaks at 1430 cm-1, 1499 cm-1, 1505 cm-1 and 1056 cm-1 and two auto-peaks at 1540 cm-1 and 1284 cm-1. This study has proved that FT-IR integrated with 2DCOS-IR could be applicable for precious wood furniture authentication in a direct, rapid and holistic manner.

  15. Moving-window 2D correlation spectroscopy in studies of fluphenazine-DPPC dehydrated film as a function of temperature

    Science.gov (United States)

    Szwed, Joanna; Cieślik-Boczula, Katarzyna; Czarnik-Matusewicz, Bogusława; Jaszczyszyn, Agata; Gąsiorowski, Kazimierz; Świątek, Piotr; Malinka, Wiesław

    2010-06-01

    The effect of incorporating fluphenazine (FPh) into the dipalmitoylphosphatidylcholine (DPPC) multibilayers was studied by means of two-dimensional correlation spectroscopy (2DCOS) applied to attenuated total reflection (ATR) infrared spectra. DPPC is used as a model membrane that mimics the organization of lipids in biological membranes and their interaction with FPh. ATR-IR spectra for both DPPC dry film alone and the film doped with FPh were recorded as a function of temperature to provide information about the interaction between FPh molecules and DPPC lipid. The chain-melting phase-transition temperature changes are strictly correlated with the conformational order of the lipid hydrocarbon chains. To gain deeper insight into the accompanying spectral changes, we employed moving-window 2D correlation spectroscopy. Subdividing all the measurements from 10 to 90 °C into 20° subsets enables a detailed identification of spectral features induced by embedding FPh into DPPC multilayers. Moving-window analysis of the power spectra for the ν asym,symCH 2, δ sCH 2, and δ rCH 2 vibrations provides evidence that FPh is embedded in the region between the bilayers, penetrating their hydrophilic part, which destabilizes the interchain interaction. Above 60 °C the FPh-DPPC system reaches the liquid crystalline phase with the well-established location of FPh. A further temperature increase to 90 °C has little effect on the intrachain conformational order and the packing character of the FPh-DPPC system in the liquid crystalline phase. In addition, FPh hinders the formation of large domains. Comparison of the moving-window analysis done by using slice spectra for DPPC and FPh-doped DPPC dry film for ν asym,symCH 2, νC dbnd O, and νPO2- shows that the interaction between the DPPC and FPh molecules is accompanied by very distinct spectral changes located in a both lower and narrower temperature range than those observed in pure DPPC film.

  16. Interpreting canonical correlation analysis through biplots of stucture correlations and weights

    NARCIS (Netherlands)

    Braak, ter C.J.F.

    1990-01-01

    This paper extends the biplot technique to canonical correlation analysis and redundancy analysis. The plot of structure correlations is shown to the optimal for displaying the pairwise correlations between the variables of the one set and those of the second. The link between multivariate regressio

  17. Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials.

    Science.gov (United States)

    Li, Ying-Sing; Church, Jeffrey S

    2014-03-01

    Raman scattering is an inelastic phenomenon. Although its cross section is very small, recent advances in electronics, lasers, optics, and nanotechnology have made Raman spectroscopy suitable in many areas of application. The present article reviews the applications of Raman spectroscopy in food and drug analysis and inspection, including those associated with nanomaterials. Brief overviews of basic Raman scattering theory, instrumentation, and statistical data analysis are also given. With the advent of Raman enhancement mechanisms and the progress being made in metal nanomaterials and nanoscale metal surfaces fabrications, surface enhanced Raman scattering spectroscopy has become an extra sensitive method, which is applicable not only for analysis of foods and drugs, but also for intracellular and intercellular imaging. A Raman spectrometer coupled with a fiber optics probe has great potential in applications such as monitoring and quality control in industrial food processing, food safety in agricultural plant production, and convenient inspection of pharmaceutical products, even through different types of packing. A challenge for the routine application of surface enhanced Raman scattering for quantitative analysis is reproducibility. Success in this area can be approached with each or a combination of the following methods: (1) fabrication of nanostructurally regular and uniform substrates; (2) application of statistic data analysis; and (3) isotopic dilution. Copyright © 2014. Published by Elsevier B.V.

  18. Raman spectroscopy in the analysis of food and pharmaceutical nanomaterials

    Directory of Open Access Journals (Sweden)

    Ying-Sing Li

    2014-03-01

    Full Text Available Raman scattering is an inelastic phenomenon. Although its cross section is very small, recent advances in electronics, lasers, optics, and nanotechnology have made Raman spectroscopy suitable in many areas of application. The present article reviews the applications of Raman spectroscopy in food and drug analysis and inspection, including those associated with nanomaterials. Brief overviews of basic Raman scattering theory, instrumentation, and statistical data analysis are also given. With the advent of Raman enhancement mechanisms and the progress being made in metal nanomaterials and nanoscale metal surfaces fabrications, surface enhanced Raman scattering spectroscopy has become an extra sensitive method, which is applicable not only for analysis of foods and drugs, but also for intracellular and intercellular imaging. A Raman spectrometer coupled with a fiber optics probe has great potential in applications such as monitoring and quality control in industrial food processing, food safety in agricultural plant production, and convenient inspection of pharmaceutical products, even through different types of packing. A challenge for the routine application of surface enhanced Raman scattering for quantitative analysis is reproducibility. Success in this area can be approached with each or a combination of the following methods: (1 fabrication of nanostructurally regular and uniform substrates; (2 application of statistic data analysis; and (3 isotopic dilution.

  19. [Structure analysis of disease-related proteins using vibrational spectroscopy].

    Science.gov (United States)

    Hiramatsu, Hirotsugu

    2014-01-01

    Analyses of the structure and properties of identified pathogenic proteins are important for elucidating the molecular basis of diseases and in drug discovery research. Vibrational spectroscopy has advantages over other techniques in terms of sensitivity of detection of structural changes. Spectral analysis, however, is complicated because the spectrum involves a substantial amount of information. This article includes examples of structural analysis of disease-related proteins using vibrational spectroscopy in combination with additional techniques that facilitate data acquisition and analysis. Residue-specific conformation analysis of an amyloid fibril was conducted using IR absorption spectroscopy in combination with (13)C-isotope labeling, linear dichroism measurement, and analysis of amide I band features. We reveal a pH-dependent property of the interacting segment of an amyloidogenic protein, β2-microglobulin, which causes dialysis-related amyloidosis. We also reveal the molecular mechanisms underlying pH-dependent sugar-binding activity of human galectin-1, which is involved in cell adhesion, using spectroscopic techniques including UV resonance Raman spectroscopy. The decreased activity at acidic pH was attributed to a conformational change in the sugar-binding pocket caused by protonation of His52 (pKa 6.3) and the cation-π interaction between Trp68 and the protonated His44 (pKa 5.7). In addition, we show that the peak positions of the Raman bands of the C4=C5 stretching mode at approximately 1600 cm(-1) and the Nπ-C2-Nτ bending mode at approximately 1405 cm(-1) serve as markers of the His side-chain structure. The Raman signal was enhanced 12 fold using a vertical flow apparatus.

  20. Easy measurement of diffusion coefficients of EGFP-tagged plasma membrane proteins using k-space Image Correlation Spectroscopy

    DEFF Research Database (Denmark)

    Christensen, Eva Arnspang; Koffman, Jennifer Skaarup; Marlar, Saw

    2014-01-01

    Lateral diffusion and compartmentalization of plasma membrane proteins are tightly regulated in cells and thus, studying these processes will reveal new insights to plasma membrane protein function and regulation. Recently, k-Space Image Correlation Spectroscopy (kICS)1 was developed to enable ro...

  1. Atomic Force Microscopy-Infrared Spectroscopy of Individual Atmospheric Aerosol Particles: Subdiffraction Limit Vibrational Spectroscopy and Morphological Analysis.

    Science.gov (United States)

    Bondy, Amy L; Kirpes, Rachel M; Merzel, Rachel L; Pratt, Kerri A; Banaszak Holl, Mark M; Ault, Andrew P

    2017-09-05

    Chemical analysis of atmospheric aerosols is an analytical challenge, as aerosol particles are complex chemical mixtures that can contain hundreds to thousands of species in attoliter volumes at the most abundant sizes in the atmosphere (∼100 nm). These particles have global impacts on climate and health, but there are few methods available that combine imaging and the detailed molecular information from vibrational spectroscopy for individual particles particles down to 150 nm. By detecting photothermal expansion at frequencies where particle species absorb IR photons from a tunable laser, AFM-IR can study particles smaller than the optical diffraction limit. Combining strengths of AFM (ambient pressure, height, morphology, and phase measurements) with photothermal IR spectroscopy, the potential of AFM-IR is shown for a diverse set of single-component particles, liquid-liquid phase separated particles (core-shell morphology), and ambient atmospheric particles. The spectra from atmospheric model systems (ammonium sulfate, sodium nitrate, succinic acid, and sucrose) had clearly identifiable features that correlate with absorption frequencies for infrared-active modes. Additionally, molecular information was obtained with particles with a ∼150 nm shell and 300 nm core. The subdiffraction limit capability of AFM-IR has the potential to advance understanding of particle impacts on climate and health by improving analytical capabilities to study water uptake, heterogeneous reactivity, and viscosity.

  2. Fast diffuse correlation spectroscopy (DCS) for non-invasive measurement of intracranial pressure (ICP) (Conference Presentation)

    Science.gov (United States)

    Farzam, Parisa; Sutin, Jason; Wu, Kuan-Cheng; Zimmermann, Bernhard B.; Tamborini, Davide; Dubb, Jay; Boas, David A.; Franceschini, Maria Angela

    2017-02-01

    Intracranial pressure (ICP) monitoring has a key role in the management of neurosurgical and neurological injuries. Currently, the standard clinical monitoring of ICP requires an invasive transducer into the parenchymal tissue or the brain ventricle, with possibility of complications such as hemorrhage and infection. A non-invasive method for measuring ICP, would be highly preferable, as it would allow clinicians to promptly monitor ICP during transport and allow for monitoring in a larger number of patients. We have introduced diffuse correlation spectroscopy (DCS) as a non-invasive ICP monitor by fast measurement of pulsatile cerebral blood flow (CBF). The method is similar to Transcranial Doppler ultrasound (TCD), which derives ICP from the amplitude of the pulsatile cerebral blood flow velocity, with respect to the amplitude of the pulsatile arterial blood pressure. We believe DCS measurement is superior indicator of ICP than TCD estimation because DCS directly measures blood flow, not blood flow velocity, and the small cortical vessels measured by DCS are more susceptible to transmural pressure changes than the large vessels. For fast DCS measurements to recover pulsatile CBF we have developed a custom high-power long-coherent laser and a strategy for delivering it to the tissue within ANSI standards. We have also developed a custom FPGA-based correlator board, which facilitates DCS data acquisitions at 50-100 Hz. We have tested the feasibility of measuring pulsatile CBF and deriving ICP in two challenging scenarios: humans and rats. SNR is low in human adults due to large optode distances. It is similarly low in rats because the fast heart rate in this setting requires a high repetition rate.

  3. Decreased microvascular cerebral blood flow assessed by diffuse correlation spectroscopy after repetitive concussions in mice.

    Science.gov (United States)

    Buckley, Erin M; Miller, Benjamin F; Golinski, Julianne M; Sadeghian, Homa; McAllister, Lauren M; Vangel, Mark; Ayata, Cenk; Meehan, William P; Franceschini, Maria Angela; Whalen, Michael J

    2015-12-01

    Repetitive concussions are associated with long-term cognitive dysfunction that can be attenuated by increasing the time intervals between concussions; however, biomarkers of the safest rest interval between injuries remain undefined. We hypothesize that deranged cerebral blood flow (CBF) is a candidate biomarker for vulnerability to repetitive concussions. Using a mouse model of human concussion, we examined the effect of single and repetitive concussions on cognition and on an index of CBF (CBFi) measured with diffuse correlation spectroscopy. After a single mild concussion, CBFi was reduced by 35±4% at 4 hours (Pconcussions spaced 1 day apart, CBFi was also reduced from preinjury levels 4 hours after each concussion but had returned to preinjury levels by 72 hours after the final concussion. Interestingly, in this repetitive concussion model, lower CBFi values measured both preinjury and 4 hours after the third concussion were associated with worse performance on the Morris water maze assessed 72 hours after the final concussion. We conclude that low CBFi measured either before or early on in the evolution of injury caused by repetitive concussions could be a useful predictor of cognitive outcome.

  4. Bond length-bond angle correlation in densified silica—Results from 17O NMR spectroscopy

    Science.gov (United States)

    Trease, Nicole M.; Clark, Ted M.; Grandinetti, Philip J.; Stebbins, Jonathan F.; Sen, Sabyasachi

    2017-05-01

    Pressure induced correlated evolution of the distributions of the Si-O distance and Si-O-Si inter-tetrahedral bond angle in vitreous silica quenched from pressures of up to ˜14 GPa at ambient temperature is measured in unprecedented detail using two-dimensional dynamic-angle-spinning 17O nuclear magnetic resonance spectroscopy. The results demonstrate that, in contrast to the conventional wisdom, vitreous silica undergoes irreversible structural changes even at pressures as low as ˜8 GPa. These structural changes at the short range involve a progressive reduction in the mean Si-O-Si angle and a broadening of the corresponding distribution, with increasing pressure. This bond angle reduction is accompanied by a concomitant monotonic increase in the mean Si-O distance. The mean values of the Si-O-Si angle and Si-O distance at various pressures closely follow the minimum in the corresponding potential energy surface calculated for the H6Si2O7 dimer molecule.

  5. Study of molybdenum oxide by means of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy

    CERN Multimedia

    Among transition-metal oxides, the molybdenum oxide compounds are particularly attractive due to the structural (2D) anisotropy and to the ability of the molybdenum ion to change its oxidation state. These properties make it suitable for applications on, e.g., chemical sensors, solar cells, catalytic and optoelectronic devices. At ISOLDE we aim studying the incorporation of selected dopants by ion implantation, using the nuclear techniques of Perturbed Angular Correlations (PAC) and Mössbauer spectroscopy (MS). Both techniques make use of highly diluted radioactive probe nuclei, which interact – as atomic-sized tips – with the host atoms and defects. The objectives of this project are to study at the atomic scale the probe’s local environment, its electronic configuration and polarization, the probe’s lattice sites, point defects and its recombination dynamics. In the case of e-$\\gamma$ PAC, the electron mobility on the host can be further studied, e.g., as a function of temperature.

  6. Properties of baculovirus particles displaying GFP analyzed by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Toivola, Jouni; Ojala, Kirsi; Michel, Patrik O; Vuento, Matti; Oker-Blom, Christian

    2002-12-01

    Recombinant baculovirus particles displaying green fluorescent protein (GFP) fused to the major envelope glycoprotein gp64 of the Autographa californica multicapsid nucleopolyhedrovirus (AcMNPV) were characterized by fluorescence correlation spectroscopy (FCS). FCS detected Brownian motion of single, intact recombinant baculovirus display particles with a diffusion coefficient (D) of (2.89 +/- 0.74) x 10(-8) cm2s(-1) and an apparent hydrodynamic radius of 83.35 +/- 21.22 nm. In the presence of sodium dodecyl sulfate (SDS), Triton X-100, and octylglucoside, the diffusion time was reduced to the 0.2 ms range (D = 7.57 x 10(-7) cm2s(-1)), showing that the fusion proteins were anchored in the viral envelope. This allowed for a calculation of the number of single gp64 fusion proteins incorporated in the viral membrane. A mean value of 3.2 fluorescent proteins per virus particle was obtained. Our results show that FCS is the method of choice for studying enveloped viruses such as a display virus with one component being GFP.

  7. Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Saitovitch, Henrique, E-mail: asilva@usp.br [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

    2013-07-01

    Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using {sup 111}In→{sup 111}Cd and {sup 111m}Cd→{sup 111}Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν{sub Q}), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

  8. Chemical library screening for WNK signalling inhibitors using fluorescence correlation spectroscopy.

    Science.gov (United States)

    Mori, Takayasu; Kikuchi, Eriko; Watanabe, Yuko; Fujii, Shinya; Ishigami-Yuasa, Mari; Kagechika, Hiroyuki; Sohara, Eisei; Rai, Tatemitsu; Sasaki, Sei; Uchida, Shinichi

    2013-11-01

    WNKs (with-no-lysine kinases) are the causative genes of a hereditary hypertensive disease, PHAII (pseudohypoaldosteronism type II), and form a signal cascade with OSR1 (oxidative stress-responsive 1)/SPAK (STE20/SPS1-related proline/alanine-rich protein kinase) and Slc12a (solute carrier family 12) transporters. We have shown that this signal cascade regulates blood pressure by controlling vascular tone as well as renal NaCl excretion. Therefore agents that inhibit this signal cascade could be a new class of antihypertensive drugs. Since the binding of WNK to OSR1/SPAK kinases was postulated to be important for signal transduction, we sought to discover inhibitors of WNK/SPAK binding by screening chemical compounds that disrupt the binding. For this purpose, we developed a high-throughput screening method using fluorescent correlation spectroscopy. As a result of screening 17000 compounds, we discovered two novel compounds that reproducibly disrupted the binding of WNK to SPAK. Both compounds mediated dose-dependent inhibition of hypotonicity-induced activation of WNK, namely the phosphorylation of SPAK and its downstream transporters NKCC1 (Na/K/Cl cotransporter 1) and NCC (NaCl cotransporter) in cultured cell lines. The two compounds could be the promising seeds of new types of antihypertensive drugs, and the method that we developed could be applied as a general screening method to identify compounds that disrupt the binding of two molecules.

  9. Tracking transcription factor mobility and interaction in Arabidopsis roots with fluorescence correlation spectroscopy.

    Science.gov (United States)

    Clark, Natalie M; Hinde, Elizabeth; Winter, Cara M; Fisher, Adam P; Crosti, Giuseppe; Blilou, Ikram; Gratton, Enrico; Benfey, Philip N; Sozzani, Rosangela

    2016-06-11

    To understand complex regulatory processes in multicellular organisms, it is critical to be able to quantitatively analyze protein movement and protein-protein interactions in time and space. During Arabidopsis development, the intercellular movement of SHORTROOT (SHR) and subsequent interaction with its downstream target SCARECROW (SCR) control root patterning and cell fate specification. However, quantitative information about the spatio-temporal dynamics of SHR movement and SHR-SCR interaction is currently unavailable. Here, we quantify parameters including SHR mobility, oligomeric state, and association with SCR using a combination of Fluorescent Correlation Spectroscopy (FCS) techniques. We then incorporate these parameters into a mathematical model of SHR and SCR, which shows that SHR reaches a steady state in minutes, while SCR and the SHR-SCR complex reach a steady-state between 18 and 24 hr. Our model reveals the timing of SHR and SCR dynamics and allows us to understand how protein movement and protein-protein stoichiometry contribute to development.

  10. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Chan-Gi, E-mail: changipack@amc.seoul.kr [Asan Institute for Life Sciences, University of Ulsan, College of Medicine, Asan Medical Center, Seoul 138-736 (Korea, Republic of); Ahn, Sang-Gun [Dept. of Pathology, College of Dentistry, Chosun University, Seosuk-dong, Dong-gu, Gwangju 501-759 (Korea, Republic of)

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  11. Cross-correlation spectroscopy study of the transient spark discharge in atmospheric pressure air

    Science.gov (United States)

    Janda, Mário; Hoder, Tomáš; Sarani, Abdollah; Brandenburg, Ronny; Machala, Zdenko

    2017-05-01

    A streamer-to-spark transition in a self-pulsing transient spark (TS) discharge of positive polarity in air was investigated using cross-correlation spectroscopy. The entire temporal evolution of the TS was recorded for several spectral bands and lines: the second positive system of N2 (337.1 nm), the first negative system of {{{{N}}}2}+ (391.4 nm), and atomic oxygen (777.1 nm). The results enable the visualization of the different phases of discharge development including the primary streamer, the secondary streamer, and the transition to the spark. The spatio-temporal distribution of the reduced electric field strength during the primary streamer phase of the TS was determined and discussed. The transition from the streamer to the spark proceeds very fast within about 10 ns for the TS with a current pulse repetition rate in the range 8-10 kHz. This is attributed to memory effects, leading to a low net electron attachment rate and faster propagation of the secondary streamer. Gas heating, accumulation of species such as oxygen atoms from the previous TS pulses, as well as generation of charged particles by stepwise ionization seem to play important roles contributing to this fast streamer-to-spark transition.

  12. Multi-confocal Fluorescence Correlation Spectroscopy : experimental demonstration and potential applications for living cell measurements

    CERN Document Server

    Galland, Rémi; Kloster, Meike; Herbomel, Gaetan; Destaing, Olivier; Balland, Martial; Souchier, Catherine; Usson, Yves; Derouard, Jacques; Wang, Irène; Delon, Antoine; 10.2741/e263

    2011-01-01

    We report, for the first time, a multi-confocal Fluorescence Correlation Spectroscopy (mFCS) technique which allows parallel measurements at different locations, by combining a Spatial Light Modulator (SLM), with an Electron Multiplying-CCD camera (EM-CCD). The SLM is used to produce a series of laser spots, while the pixels of the EM-CCD play the roles of virtual pinholes. The phase map addressed to the SLM is calculated by using the spherical wave approximation and makes it possible to produce several diffraction limited laser spots, either aligned or spread over the field of view. To attain fast enough imaging rates, the camera has been used in different acquisition modes, the fastest of which leads to a time resolution of 100 $\\mu$s. We qualified the experimental set-up by using solutions of sulforhodamine G in glycerol and demonstrated that the observation volumes are similar to that of a standard confocal set-up. To demonstrate that our mFCS method is suitable for intracellular studies, experiments have...

  13. Detection of long-range electrostatic interactions between charged molecules by means of fluorescence correlation spectroscopy

    Science.gov (United States)

    Nardecchia, Ilaria; Lechelon, Mathias; Gori, Matteo; Donato, Irene; Preto, Jordane; Floriani, Elena; Jaeger, Sebastien; Mailfert, Sebastien; Marguet, Didier; Ferrier, Pierre; Pettini, Marco

    2017-08-01

    In the present paper, an experimental feasibility study on the detection of long-range intermolecular interactions through three-dimensional molecular diffusion in solution is performed. This follows recent theoretical and numerical analyses reporting that long-range electrodynamic forces between biomolecules could be identified through deviations from Brownian diffusion. The suggested experimental technique was fluorescence correlation spectroscopy (FCS). By considering two oppositely charged molecular species in aqueous solution, namely, lysozymes and fluorescent dye molecules (Alexa488), the diffusion coefficient of the dyes has been measured for different values of the concentration of lysozyme, that is, for different average distances between the oppositely charged molecules. For our model, long-range interactions are of electrostatic origin, suggesting that their action radius can be varied by changing the ionic strength of the solution. The experimental outcomes clearly prove the detectability of long-range intermolecular interactions by means of the FCS technique. Molecular dynamics simulations provide a clear and unambiguous interpretation of the experimental results.

  14. THE USE OF FLUORESCENCE CORRELATION SPECTROSCOPY TO PROBE CHROMATIN IN THE CELL NUCLEUS

    Energy Technology Data Exchange (ETDEWEB)

    Sorscher, Stanley M.; Bartholemew, James C.; Klein, Melvin P.

    1980-03-01

    All systems in thermodynamic equilibrium are subject to spontaneous fluctuations from equilibrium. For very small systems, the fluctuations can be made apparent, and can be used to study the behavior of the system without introducing any external perturbations. The mean squared amplitude of these fluctuations contains information about the absolute size of the system. The characteristic time of the fluctuation autocorrelation function contains kinetic information. In the experiments reported here, these concepts are applied to the binding equilibrium between ethidium bromide and DNA, a system where the fluorescence properties of the dye greatly enhance the effect of spontaneous fluctuations in the binding equilibrium. Preliminary experiments employ well characterized DNA preparations, including calf thymus DNA, SV40 DNA, and calf thymus nucleohistone particles. Additional measurements are described which have been made in small regions of individual nuclei, isolated from green monkey kidney cells, observing as few as 5000 dye molecules. The data indicate that the strength of dye binding increases in nuclei isolated from cells which have been stimulated to enter the cell growth cycle. The viscosity of nuclear material is inferred to be between one and two orders of magnitude greater than that of water, and decreases as the cells leave the resting state, and enter the cell growth cycle. Washing the nuclei also lowers the viscosity. These experiments demonstrate that fluorescence correlation spectroscopy can provide information at the subnuclear level that is otherwise unavailable.

  15. Characterization of PF4-Heparin Complexes by Photon Correlation Spectroscopy and Zeta Potential.

    Science.gov (United States)

    Bertini, Sabrina; Fareed, Jawed; Madaschi, Laura; Risi, Giulia; Torri, Giangiacomo; Naggi, Annamaria

    2017-01-01

    Heparin-induced thrombocytopenia (HIT) is associated with antibodies to complexes between heparin and platelet factor 4 (PF4), a basic protein usually found in platelet alpha granules. Heparin-induced thrombocytopenia antibodies preferentially recognize macromolecular complexes formed between positively charged PF4 and polyanionic heparins over a narrow range of molar ratios. The aim of this work was to study the complexes that human PF4 forms with heparins from various species, such as porcine, bovine, and ovine; heparins from various organs, such as mucosa and lung; and different low-molecular-weight heparins (LMWHs) at several stoichiometric ratios to evaluate their sizes and charges by photo correlation spectroscopy and zeta potential measurements. The resulting data of the PF4 complexes with unfractionated heparins (UFHs), LMWHs and their fractions, and oligosaccharide components suggest that the size of aggregates is not only a simple function of average molecular weight but also of the molecular weight distribution of the sample. Moreover, it was found that lower concentrations of the tested ovine-derived mucosal heparin are required to form the large PF4/heparin complexes as compared to mucosal porcine and bovine heparin.

  16. Using fluorescence correlation spectroscopy to study diffusion in the presence of a hierarchy of membrane domains

    Science.gov (United States)

    Kalay, Ziya

    2014-03-01

    Fluorescence correlation spectroscopy (FCS) is a commonly used experimental technique to study molecular transport, especially in biological systems. FCS is particularly useful in two-dimensional systems such as the cell membrane, where molecules approximately move in a plane over several hundreds of nanometers, and the signal to noise ratio is high. Recent observations showed that proteins and lipids in the plasma membrane (the outermost membrane of a cell) can become temporarily confined in a hierarchy of membrane domains, induced by actin filaments and dynamic clusters formed by lipids and proteins (rafts). There has been considerable interest in measuring the characteristic size and lifetime of these domains via microscopy techniques, including FCS. Even though FCS is widely applicable, interpretation of the results is often indirect, as data has to be fit to model predictions in order to extract transport coefficients. In this talk, I will present our recent theoretical and computational findings on how FCS measurements would reflect diffusion in the simultaneous presence of cytoskeleton induced membrane compartments, and raft-like domains.

  17. Mapping Liquid-liquid protein phase separation using ultra-fast-scanning fluorescence correlation spectroscopy

    Science.gov (United States)

    Wei, Ming-Tzo; Elbaum-Garfinkle, Shana; Arnold, Craig B.; Priestley, Rodney D.; Brangwynne, Clifford P.

    Intrinsically disordered proteins (IDPs) are an understudied class of proteins that play important roles in a wide variety of biological processes in cells. We've previously shown that the C. elegans IDP LAF-1 phase separates into P granule-like droplets in vitro. However, the physics of the condensed phase remains poorly understood. Here, we use a novel technique, ultra-fast-scanning fluorescence correlation spectroscopy, to study the nano-scale rheological properties of LAF-1 droplets. Ultra-fast-scanning FCS uses a tunable acoustic gradient index of refraction (TAG) lens with an oil immersion objective to control axial movement of the focal point over a length of several micrometers at frequencies of 70kHz. Using ultra-fast-scanning FCS allows for the accurate determination of molecular concentrations and their diffusion coefficient, when the particle is passing through an excitation volume. Our work reveals an asymmetric LAF-1 phase diagram, and demonstrates that LAF-1 droplets are purely viscous phases which are highly tunable by salt concentration.

  18. Real-time data acquisition incorporating high-speed software correlator for single-molecule spectroscopy.

    Science.gov (United States)

    Yang, L-L; Lee, H-Y; Wang, M-K; Lin, X-Y; Hsu, K-H; Chang, Y-R; Fann, W; White, J D

    2009-06-01

    Single-molecule spectroscopy and detection are powerful techniques for the study of single fluorescent particles and their interaction with their environment. We present a low-cost system for simultaneous real-time acquisition, storage of inter-photon arrival times and the calculation and display of the fluorescence time trace, autocorrelation function and distribution of delays histogram for single-molecule experiments. From a hardware perspective, in addition to a multi-core computer, only a standard low-cost counting board is required as processing is software-based. Software is written in a parallel programming environment with time crucial operations coded in ANSI-C. Crucial to system performance is a simple and efficient real-time autocorrelation algorithm (acf) optimized for the count rates (approximately 10(4) cps) encountered in single-molecule experiments. The algorithm's time complexity is independent of temporal resolution, which is maintained at all time delays. The system and algorithm's performance was validated by duplicating the signal from the photon detector and sending it to both the ordinary counter board and a commercial correlator simultaneously. The data acquisition system's robustness under typical single-molecule experimental conditions was tested by observing the diffusion of Rhodamine 6G molecules in deionized water.

  19. Simulation of Photon Correlation Spectroscopy Signal Using Orthogonal Inverse Wavelet Transform

    Directory of Open Access Journals (Sweden)

    WANG Yajing

    2013-11-01

    Full Text Available Computer simulation is a more convenient and faster method obtaining photon correlation spectroscopy (PCS signal. Based on orthogonal inverse wavelet transform (OIWT, a new simulation method is developed. This method considers that PCS signal of a single scale is composed of several sub-band signals with different characteristic. According to the relationship of power spectrum of PCS signal and orthogonal wavelet coefficients of every scale, using OIWT, PCS signal can be obtained by simulation of several different sub-band signals. Using this method, PCS signals of 90nm, 600nm and1000nm are respectively simulated. Mean square errors of the power spectrums of the simulation signals and their theoretical power spectrums are e-5 order of magnitude. The relative errors of particle size inverted from simulation signals are less than 2.47%. Comparison of simulation and experiment proves that that OIWT is feasible for simulation of PCS signal. In addition, by analyzing the influence of simulation parameters on simulation accuracy, we get relationship of particle size, decomposition scale and sampling frequency.  

  20. Asymmetric matrices in an analysis of financial correlations

    OpenAIRE

    2006-01-01

    Financial markets are highly correlated systems that reveal both the inter-market dependencies and the correlations among their different components. Standard analyzing techniques include correlation coefficients for pairs of signals and correlation matrices for rich multivariate data. In the latter case one constructs a real symmetric matrix with real non-negative eigenvalues describing the correlation structure of the data. However, if one performs a correlation-function-like analysis of mu...

  1. Spectroscopy Surface Analysis of Paracetamol and Paracetamol and Excipient Systems

    OpenAIRE

    Mohd Zaki, Hamizah

    2011-01-01

    A detailed, fundamental understanding of the surface properties of molecular crystals and their interaction with adsorbing molecules (e.g. excipients) is important for tailoring the stability of formulations and the bioavailability of Active Pharmaceutical Ingredient (APIs). Few fundamental experimental studies with surface sensitive probes have been carried out for organic molecular crystals. X-ray photoelectron spectroscopy (XPS) is an established surface analysis method in the fields of ad...

  2. Application of Raman spectroscopy method for analysis of biopolymer materials

    Science.gov (United States)

    Timchenko, Elena V.; Timchenko, Pavel E.; Volchkov, S. E.; Mahortova, Alexsandra O.; Asadova, Anna A.; Kornilin, Dmitriy V.

    2016-10-01

    This work presents the results of spectral analysis of biopolymer materials that are implemented in medical sphere. Polymer samples containing polycaprolactone and iron oxides of different valence were used in the studies. Raman spectroscopy method was used as a main control method. Relative content of iron and polycaprolactone in studied materials was assessed using ratio of RS intensities values at 604 cm-1 and 1726 cm-1 wavenumbers to intensity value of 1440 cm-1 line.

  3. A New Methodology of Spatial Cross-Correlation Analysis

    Science.gov (United States)

    Chen, Yanguang

    2015-01-01

    Spatial correlation modeling comprises both spatial autocorrelation and spatial cross-correlation processes. The spatial autocorrelation theory has been well-developed. It is necessary to advance the method of spatial cross-correlation analysis to supplement the autocorrelation analysis. This paper presents a set of models and analytical procedures for spatial cross-correlation analysis. By analogy with Moran’s index newly expressed in a spatial quadratic form, a theoretical framework is derived for geographical cross-correlation modeling. First, two sets of spatial cross-correlation coefficients are defined, including a global spatial cross-correlation coefficient and local spatial cross-correlation coefficients. Second, a pair of scatterplots of spatial cross-correlation is proposed, and the plots can be used to visually reveal the causality behind spatial systems. Based on the global cross-correlation coefficient, Pearson’s correlation coefficient can be decomposed into two parts: direct correlation (partial correlation) and indirect correlation (spatial cross-correlation). As an example, the methodology is applied to the relationships between China’s urbanization and economic development to illustrate how to model spatial cross-correlation phenomena. This study is an introduction to developing the theory of spatial cross-correlation, and future geographical spatial analysis might benefit from these models and indexes. PMID:25993120

  4. Measuring number of fluorophores labelling cDNA strands, in solution, with Fluorescence Correlation Spectroscopy and photobleaching

    CERN Document Server

    Delon, Antoine; Lambert, Emeline; Lerbs-Mache, Silva; Mache, Régis; Derouard, Jacques; Motto-Ros, Vincent; Galland, Rémi

    2009-01-01

    We present different approaches that aim at determining, in solution, the brightness and the number of Alexa Fluor 647 molecules labelling the C bases of two sequences of cDNA, corresponding to two transcripts of different sizes, a short and a long transcript (123 and 306 base long, with 45 and 74 dCTP residues, respectively). In each case, the Alexa labeled bases have been incorporated during reverse-transcription. Two kinds of experiments have been performed and combined: photobleaching and Fluorescence Correlation Spectroscopy (together with the factorial cumulant analysis method). As a result, we show that the photobleaching cross-section of labelled cDNA strands is about half that of free Alexa in aqueous solution, while their brightness is about twice. The factorial cumulant analysis put into evidence the fact that the brightness of cDNA strands varies from molecule to molecule, due to the statistical distribution of the number of Alexa fluorophores labelling cDNA. Our measurements are consistent with a...

  5. Noise reduction methods applied to two-dimensional correlation spectroscopy (2D-COS) reveal complementary benefits of pre- and post-treatment.

    Science.gov (United States)

    Foist, Rod B; Schulze, H Georg; Ivanov, Andre; Turner, Robin F B

    2011-05-01

    Two-dimensional correlation spectroscopy (2D-COS) is a powerful spectral analysis technique widely used in many fields of spectroscopy because it can reveal spectral information in complex systems that is not readily evident in the original spectral data alone. However, noise may severely distort the information and thus limit the technique's usefulness. Consequently, noise reduction is often performed before implementing 2D-COS. In general, this is implemented using one-dimensional (1D) methods applied to the individual input spectra, but, because 2D-COS is based on sets of successive spectra and produces 2D outputs, there is also scope for the utilization of 2D noise-reduction methods. Furthermore, 2D noise reduction can be applied either to the original set of spectra before performing 2D-COS ("pretreatment") or on the 2D-COS output ("post-treatment"). Very little work has been done on post-treatment; hence, the relative advantages of these two approaches are unclear. In this work we compare the noise-reduction performance on 2D-COS of pretreatment and post-treatment using 1D (wavelets) and 2D algorithms (wavelets, matrix maximum entropy). The 2D methods generally outperformed the 1D method in pretreatment noise reduction. 2D post-treatment in some cases was superior to pretreatment and, unexpectedly, also provided correlation coefficient maps that were similar to 2D correlation spectroscopy maps but with apparent better contrast.

  6. Discrimination of different genuine Danshen and their extracts by Fourier transform infrared spectroscopy combined with two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Liu, Xin-hu; Xu, Chang-hua; Sun, Su-qin; Huang, Jian; Zhang, Ke; Li, Guo-yu; Zhu, Yun; Zhou, Qun; Zhang, Zhi-cheng; Wang, Jin-hui

    2012-11-01

    In this study, six varieties of Danshen from different populations and genuine ("Daodi" in Chinese transliteration) regions were discriminated and identified by a three-step infrared spectroscopy method (Fourier transform-infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two dimensional correlation infrared spectroscopy (2D-IR)). Though only small differences were found among the FT-IR spectra of the six Danshen samples, the positions and intensities of peaks at 3393, 3371, 1613, 1050, and 1036 cm-1 could be considered as the key factors to discriminate them. More significant differences were exhibited in their SD-IR, particularly for the peaks around 1080, 1144, 695, 665, 800, 1610, 1510, 1450, 1117 and 1077 cm-1. The visual 2D-IR spectra provided dynamic chemical structure information of the six Danshen samples with presenting different particular auto-peak clusters, respectively. Moreover, the contents of salvianolic acid B in all samples were measured quantitatively by a validated ultra performance liquid chromatography (UPLC), which was consistent with the FT-IR findings. This study provides a promising method for characteristics and quality control of the complicated and extremely similar herbal medicine like Danshen, which is more cost effective and time saving.

  7. Spectroscopic correlation analysis of NMR-based metabonomics in exercise science.

    Science.gov (United States)

    Kirwan, Gemma M; Coffey, Vernon G; Niere, Julie O; Hawley, John A; Adams, Michael J

    2009-10-12

    Spectroscopic studies of complex clinical fluids have led to the application of a more holistic approach to their chemical analysis becoming more popular and widely employed. The efficient and effective interpretation of multidimensional spectroscopic data relies on many chemometric techniques and one such group of tools is represented by so-called correlation analysis methods. Typical of these techniques are two-dimensional correlation analysis and statistical total correlation spectroscopy (STOCSY). Whilst the former has largely been applied to optical spectroscopic analysis, STOCSY was developed and has been applied almost exclusively to NMR metabonomic studies. Using a (1)H NMR study of human blood plasma, from subjects recovering from exhaustive exercise trials, the basic concepts and applications of these techniques are examined. Typical information from their application to NMR-based metabonomics is presented and their value in aiding interpretation of NMR data obtained from biological systems is illustrated. Major energy metabolites are identified in the NMR spectra and the dynamics of their appearance and removal from plasma during exercise recovery are illustrated and discussed. The complementary nature of two-dimensional correlation analysis and statistical total correlation spectroscopy are highlighted.

  8. Characterization by Fourier transform infrared spectroscopy (FT-IR) and 2D IR correlation spectroscopy of a carbosilane dendrimer with peripheral ammonium groups

    Energy Technology Data Exchange (ETDEWEB)

    Popescu, Maria-Cristina, E-mail: cpopescu@icmpp.ro [' Petru Poni' Institute of Macromolecular Chemistry (Romania); Gomez, Rafael; Mata, Fco Javier de la; Rasines, Beatriz [Universidad de Alcala, Departamento de Quimica Inorganica (Spain); Simionescu, Bogdan C. [' Petru Poni' Institute of Macromolecular Chemistry (Romania)

    2013-06-15

    Fourier transform infrared spectroscopy and 2D correlation spectroscopy were used to study the microstructural changes occurring on heating of a new carbosilane dendrimer with peripheral ammonium groups. Temperature-dependent spectral variations in the 3,010-2,710, 1,530-1,170, and 1,170-625 cm{sup -1} regions were monitored during the heating process. The dependence, on temperature, of integral absorptions and position of spectral bands was established and the spectral modifications associated with molecular conformation rearrangements, allowing molecular shape changes, were found. Before 180 Degree-Sign C, the studied carbosilane dendrimer proved to be stable, while at higher temperatures it oxidizes and Si-O groups appear. 2D IR correlation spectroscopy gives new information about the effect of temperature on the structure and dynamics of the system. Synchronous and asynchronous spectra indicate that, at low temperature, conformational changes of CH{sub 3} and CH{sub 3}-N{sup +} groups take place first. With increasing temperature, the intensity variation of the CH{sub 2}, C-N, Si-C and C-C groups from the dendritic core is faster than that of the terminal units. This indicates that, with increasing temperature, the segments of the dendritic core obtain enough energy to change their conformation more easily as compared to the terminal units, due to their internal flexibility.

  9. [Study on the identification of radix scutellariae and extract using Fourier transform infrared spectroscopy and two-dimensional IR correlation spectroscopy].

    Science.gov (United States)

    Zhang, Chun-hui; Zhang, Gui-jun; Sun, Su-qin; Tu, Ya

    2010-07-01

    2D-IR correlation spectroscopy was used to do the research on crude and prepared drug of radix scutellariae and the extracts of them. The results show that the holistic shape of peaks among them are similar in the FTIR spectra. In second derivative spectra, the two absorption peaks: 1,745 and 1,411 cm(-1) of processed products move to the bigger wavenumber direction, while 1,357 cm(-1) of processed products moves to the smaller wavenumber direction; There are conspicuous differences in Two-dimensional infrared correlation spectroscopy among them: Four characteristic peaks are shown between 1,300 and 1,800 cm(-1). The intensity of peak at 1,575 cm(-1) is the strongest. There are three main districts about the autopeaks of sliced scutellariae. Wine-fried scutellariae has two auto-peak districts, in which all the auto-peaks are positively correlated. The FTIR spectra of total glycoside extract of different samples present characteristic peaks at 1,615, 1,585, 1,450 cm(-1) (vibration of phenyl framework) and 1,658 cm(-1) (=C-O ) respectively, therefore, the authors speculated that their mutual component is the compound of phenolic glycoside. The two-dimensional infrared correlation spectra present five automatic peaks (vibration of phenyl framework) in 800-1,800 cm(-1) (1,366, 1,420, 1,508, 1,585, 1,669 cm(-1)). So the authors can conclude that a lot of information can be provided by macro-fingerprint technology of infrared spectroscopy which can evaluate overall quality of radix scutellariae accurately and be used to study the characteristics of relevance of crude and prepared scutellariae.

  10. Two-Dimensional Correlation Method for Polymer Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Herman, Matthew Joseph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-06-08

    Since its introduction by Noda in 1986 two-dimension correlation spectroscopy has been offering polymer scientists an opportunity to look more deeply into collected spectroscopic data. When the spectra are recorded in response to an external perturbation, it is possible to correlate the spectra and expand the information over a separate spectra axis allow for enhancement of spectral resolution, the ability to determine synchronous change, and a unique way to organize observed changes in the spectra into sequential order following a set of three simple rules. By organizing the 2D spectra into synchronous change plots and asynchronous change plots it is possible to correlate change between spectral regions and develop their temporal relationships to one another. With the introduction of moving-window correlation-spectroscopy by Thomas and Richardson in 2000, a method of binning and processing data, it became possible to directly correlate relationships generated in the spectra from the change in the perturbation variable. This method takes advantage of the added resolution of two-dimension spectroscopy and has been applied to study very week transitions found in polymer materials. Appling both of these techniques we are beginning to develop an understanding of how polymers decay under radiolytic aging, to develop a stronger understanding of changes in mechanical properties and the service capabilities of materials.

  11. Analysis of serum cortisol levels by Fourier Transform Infrared Spectroscopy for diagnosis of stress in athletes

    Directory of Open Access Journals (Sweden)

    Lia Campos Lemes

    Full Text Available Abstract Introduction Fourier-transform infrared (FT-IR spectroscopy is a technique with great potential for body fluids analyses. The aim of this study was to examine the impact of session training on cortisol concentrations in rugby players by means of infrared analysis of serum. Methods Blood collections were performed pre, post and 24 hours after of rugby training sessions. Serum cortisol was analyzed by FT-IR spectroscopy and chemiluminescent immunoassay. Results There was a significant difference between the integrated area, in the region of 1180-1102 cm-1, of the spectra for pre, post and post 24 h serums. The cortisol concentration obtained by chemiluminescent immunoassay showed no significant difference between pre, post and post 24 h. Positive correlations were obtained between the techniques (r = 0.75, post (r = 0.83 and post 24 h (r = 0.73. Conclusion The results showed no increase in cortisol levels of the players after the training sessions, as well as positive correlations indicating that FT-IR spectroscopy have produced promising results for the analysis of serum for diagnosis of stress.

  12. Analysis and differentiation of seminal plasma via polarized SERS spectroscopy

    Directory of Open Access Journals (Sweden)

    Chen X

    2012-12-01

    Full Text Available Xiwen Chen,1,* Zufang Huang,1,* Shangyuan Feng,1 Jinhua Chen,2 Lan Wang,1 Peng Lu,1 Haishan Zeng,3 Rong Chen1 1Key Laboratory of Opto-Electronic Science and Technology for Medicine of Ministry of Education, Fujian Provincial Key Laboratory for Photonics Technology, Fujian Normal University, Fuzhou, China; 2Fujian Provincial Hospital, Fuzhou, China; 3Imaging Unit – Integrative Oncology Department, British Columbia Cancer Agency Research Centre, Vancouver, BC, Canada*These authors contributed equally to this workAbstract: Polarized surface-enhanced Raman scattering (SERS spectroscopy was applied for obtaining biochemical information about the seminal plasma. The effect of different laser polarizations (nonpolarized, linear-polarized, right-handed circularly polarized, and left-handed circularly polarized on seminal plasma SERS spectroscopy was explored for the first time. The diagnostic performance in differentiating abnormal seminal plasma (n = 37 from normal seminal plasma (n = 24 was evaluated. A combination of principal component analysis (PCA and linear discriminant analysis (LDA was employed to develop diagnostic algorithms. Classification results of different laser polarizations demonstrated different diagnostic sensitivities and specificities, among which, left-handed circularly polarized laser excitation showed the best diagnostic result (95.8% sensitivity and 64.9% specificity. Our exploratory study demonstrated that SERS spectroscopy with left-handed circularly polarized laser excitation has the potential for becoming a new diagnostic method in semen-quality assessment.Keywords: SERS, seminal plasma, PCA-LDA, polarized laser excitation, silver nanoparticles, biomolecule chirality

  13. Quantitative analysis of gallstones using laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Singh, Vivek K; Singh, Vinita; Rai, Awadhesh K; Thakur, Surya N; Rai, Pradeep K; Singh, Jagdish P

    2008-11-01

    The utility of laser-induced breakdown spectroscopy (LIBS) for categorizing different types of gallbladder stone has been demonstrated by analyzing their major and minor constituents. LIBS spectra of three types of gallstone have been recorded in the 200-900 nm spectral region. Calcium is found to be the major element in all types of gallbladder stone. The spectrophotometric method has been used to classify the stones. A calibration-free LIBS method has been used for the quantitative analysis of metal elements, and the results have been compared with those obtained from inductively coupled plasma atomic emission spectroscopy (ICP-AES) measurements. The single-shot LIBS spectra from different points on the cross section (in steps of 0.5 mm from one end to the other) of gallstones have also been recorded to study the variation of constituents from the center to the surface. The presence of different metal elements and their possible role in gallstone formation is discussed.

  14. Compositional Analysis of Drugs by Laser-Induced Breakdown Spectroscopy

    Science.gov (United States)

    Beldjilali, S. A.; Axente, E.; Belasri, A.; Baba-Hamed, T.; Hermann, J.

    2017-07-01

    The feasibility of the compositional analysis of drugs by calibration-free laser-induced breakdown spectroscopy (LIBS) was investigated using multivitamin tablets as a sample material. The plasma was produced by a frequencyquadrupled Nd:YAG laser delivering UV pulses with a duration of 5 ns and an energy of 12 mJ, operated at a repetition rate of 10 Hz. The relative fractions of the elements composing the multivitamin drug were determined by comparing the emission spectrum of the laser-produced plume with the spectral radiance computed for a plasma in a local thermodynamic equilibrium. Fair agreement of the measured fractions with those given by the manufacturer was observed for all elements mentioned in the leafl et of the drug. Additional elements such as Ca, Na, Sr, Al, Li, K, and Si were detected and quantifi ed. The present investigations demonstrate that laser-induced breakdown spectroscopy is a viable technique for the quality control of drugs.

  15. Characterizing the moisture content of tea with diffuse reflectance spectroscopy using wavelet transform and multivariate analysis.

    Science.gov (United States)

    Li, Xiaoli; Xie, Chuanqi; He, Yong; Qiu, Zhengjun; Zhang, Yanchao

    2012-01-01

    Effects of the moisture content (MC) of tea on diffuse reflectance spectroscopy were investigated by integrated wavelet transform and multivariate analysis. A total of 738 representative samples, including fresh tea leaves, manufactured tea and partially processed tea were collected for spectral measurement in the 325-1,075 nm range with a field portable spectroradiometer. Then wavelet transform (WT) and multivariate analysis were adopted for quantitative determination of the relationship between MC and spectral data. Three feature extraction methods including WT, principal component analysis (PCA) and kernel principal component analysis (KPCA) were used to explore the internal structure of spectral data. Comparison of those three methods indicated that the variables generated by WT could efficiently discover structural information of spectral data. Calibration involving seeking the relationship between MC and spectral data was executed by using regression analysis, including partial least squares regression, multiple linear regression and least square support vector machine. Results showed that there was a significant correlation between MC and spectral data (r = 0.991, RMSEP = 0.034). Moreover, the effective wavelengths for MC measurement were detected at range of 888-1,007 nm by wavelet transform. The results indicated that the diffuse reflectance spectroscopy of tea is highly correlated with MC.

  16. Characterizing the Moisture Content of Tea with Diffuse Reflectance Spectroscopy Using Wavelet Transform and Multivariate Analysis

    Directory of Open Access Journals (Sweden)

    Chuanqi Xie

    2012-07-01

    Full Text Available Effects of the moisture content (MC of tea on diffuse reflectance spectroscopy were investigated by integrated wavelet transform and multivariate analysis. A total of 738 representative samples, including fresh tea leaves, manufactured tea and partially processed tea were collected for spectral measurement in the 325–1,075 nm range with a field portable spectroradiometer. Then wavelet transform (WT and multivariate analysis were adopted for quantitative determination of the relationship between MC and spectral data. Three feature extraction methods including WT, principal component analysis (PCA and kernel principal component analysis (KPCA were used to explore the internal structure of spectral data. Comparison of those three methods indicated that the variables generated by WT could efficiently discover structural information of spectral data. Calibration involving seeking the relationship between MC and spectral data was executed by using regression analysis, including partial least squares regression, multiple linear regression and least square support vector machine. Results showed that there was a significant correlation between MC and spectral data (r = 0.991, RMSEP = 0.034. Moreover, the effective wavelengths for MC measurement were detected at range of 888–1,007 nm by wavelet transform. The results indicated that the diffuse reflectance spectroscopy of tea is highly correlated with MC.

  17. Clinical applications of high-speed blood flow measurements with diffuse correlation spectroscopy

    Science.gov (United States)

    Parthasarathy, Ashwin B.; Baker, Wesley B.; Gannon, Kimberly; Mullen, Michael T.; Detre, John A.; Yodh, Arjun G.

    2017-02-01

    Diffuse Correlation Spectroscopy (DCS) is an increasingly popular non-invasive optical technique to clinically measure deep tissue blood flow, albeit at slow measurement rates of 0.5-1 Hz. We recently reported the development of a new `fast' DCS instrument that continuously measures blood flow at 50-100 Hz (simultaneously from 8 channels), using conventional DCS sources/detectors, and optimized software computations. A particularly interesting result was our ability to optically record pulsatile micro-vascular blood flow waveforms, and therein readily identify high frequency features such as the dicrotic notch. Here, we showcase the utility and potential of high-speed measurements of blood flow (and arterial blood pressure) in a few clinical applications. First, we employ the fast-DCS instrumentation to measure cerebral autoregulation (CVAR) dynamics. Cerebral autoregulation refers to the mechanism by which cerebral blood flow (CBF) is maintained during fluctuations in blood pressure; CVAR is impaired in the injured brain. We derive an index of autoregulation by measuring the rates of decrease (and recovery) of blood flow and blood pressure following a sudden, induced change in systemic blood pressure (e.g., bilateral thigh cuff deflation). Our pilot experiments in healthy volunteers show that DCS measured rates of micro-vascular regulation are comparable to conventional large vessel regulatory metrics (e.g., measured with transcranial Doppler ultrasound). Second, we utilized pulsatile blood flow oscillations in cerebral arteries to estimate the critical closing pressure (CrCP), i.e., the arterial blood pressure at which CBF approaches zero. Pilot experiments in healthy subjects show good agreement between CrCP measured with DCS and transcranial Doppler ultrasound.

  18. Signatures of spatially correlated noise and non-secular effects in two-dimensional electronic spectroscopy.

    Science.gov (United States)

    Lim, James; Ing, David J; Rosskopf, Joachim; Jeske, Jan; Cole, Jared H; Huelga, Susana F; Plenio, Martin B

    2017-01-14

    We investigate how correlated fluctuations affect oscillatory features in rephasing and non-rephasing two-dimensional (2D) electronic spectra of a model dimer system. Based on a beating map analysis, we show that non-secular environmental couplings induced by uncorrelated fluctuations lead to oscillations centered at both cross- and diagonal-peaks in rephasing spectra as well as in non-rephasing spectra. Using an analytical approach, we provide a quantitative description of the non-secular effects in terms of the Feynman diagrams and show that the environment-induced mixing of different inter-excitonic coherences leads to oscillations in the rephasing diagonal-peaks and non-rephasing cross-peaks. We demonstrate that as correlations in the noise increase, the lifetime of oscillatory 2D signals is enhanced at rephasing cross-peaks and non-rephasing diagonal-peaks, while the other non-secular oscillatory signals are suppressed. We discuss that the asymmetry of 2D lineshapes in the beating map provides information on the degree of correlations in environmental fluctuations. Finally we investigate how the oscillatory features in 2D spectra are affected by inhomogeneous broadening.

  19. Signatures of spatially correlated noise and non-secular effects in two-dimensional electronic spectroscopy

    Science.gov (United States)

    Lim, James; Ing, David J.; Rosskopf, Joachim; Jeske, Jan; Cole, Jared H.; Huelga, Susana F.; Plenio, Martin B.

    2017-01-01

    We investigate how correlated fluctuations affect oscillatory features in rephasing and non-rephasing two-dimensional (2D) electronic spectra of a model dimer system. Based on a beating map analysis, we show that non-secular environmental couplings induced by uncorrelated fluctuations lead to oscillations centered at both cross- and diagonal-peaks in rephasing spectra as well as in non-rephasing spectra. Using an analytical approach, we provide a quantitative description of the non-secular effects in terms of the Feynman diagrams and show that the environment-induced mixing of different inter-excitonic coherences leads to oscillations in the rephasing diagonal-peaks and non-rephasing cross-peaks. We demonstrate that as correlations in the noise increase, the lifetime of oscillatory 2D signals is enhanced at rephasing cross-peaks and non-rephasing diagonal-peaks, while the other non-secular oscillatory signals are suppressed. We discuss that the asymmetry of 2D lineshapes in the beating map provides information on the degree of correlations in environmental fluctuations. Finally we investigate how the oscillatory features in 2D spectra are affected by inhomogeneous broadening.

  20. Study of diffusion in polymer solutions and networks by fluorescence correlation spectroscopy

    Science.gov (United States)

    Chehreghanianzabi, Yasaman

    Diffusion in polymer solutions and networks is a topic of vast importance in many fields related to medical devices, tissue engineering, and drug delivery. Understanding diffusion in such environments is also essential for describing molecular transport through biological systems such as cells and tissues. Fluorescence correlation spectroscopy (FCS) is single molecule spectroscopic technique that measures the fluctuations of fluorescent probes in a defined confocal volume and correlates them in time to give information on diffusion times, concentrations, and interactions as well as indirectly, on macromolecular structure or conformation. In the first project we used diffusivity data obtained by FCS to develop a novel homogenization theory model to accurately predict solute diffusivity in polymer solutions. We focused on a setting where diffusivity was hindered by obstruction only. By choosing experimental conditions that satisfied the model assumptions, we were able to validate the homogenization theory model. While testing diffusivity in various polymer solutions, we also observed an unexpected phenomenon--a dramatic decrease in diffusivity of small fluorophores in dilute solutions of polyethylene glycol (PEG), which led to the second project. Here, we determined that the rapid drop was due to a complexation between the PEG and the fluorophore. We also determined that this complexation was highly specific and could be attributed to hydrogel bonding between the ether oxygen of PEG and the carboxylic hydrogen of the fluorophore. We then transitioned to a more complex hydrogel network environment, namely fluorophore diffusivity in various alginate hydrogels--varied by concentration and modifications with a cell adhesive ligand. Importantly, we were able to determine that while the fluorophore diffusivity was hindered due to electrostatic interactions, it was the same irrespective of the alginate concentration or modifications. The last part of this thesis was focused

  1. Indirectly detected chemical shift correlation NMR spectroscopy in solids under fast magic angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Kanmi [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    The development of fast magic angle spinning (MAS) opened up an opportunity for the indirect detection of insensitive low-γ nuclei (e.g., 13C and 15N) via the sensitive high-{gamma} nuclei (e.g., 1H and 19F) in solid-state NMR, with advanced sensitivity and resolution. In this thesis, new methodology utilizing fast MAS is presented, including through-bond indirectly detected heteronuclear correlation (HETCOR) spectroscopy, which is assisted by multiple RF pulse sequences for 1H-1H homonuclear decoupling. Also presented is a simple new strategy for optimization of 1H-1H homonuclear decoupling. As applications, various classes of materials, such as catalytic nanoscale materials, biomolecules, and organic complexes, are studied by combining indirect detection and other one-dimensional (1D) and two-dimensional (2D) NMR techniques. Indirectly detected through-bond HETCOR spectroscopy utilizing refocused INEPT (INEPTR) mixing was developed under fast MAS (Chapter 2). The time performance of this approach in 1H detected 2D 1H{l_brace}13C{r_brace} spectra was significantly improved, by a factor of almost 10, compared to the traditional 13C detected experiments, as demonstrated by measuring naturally abundant organic-inorganic mesoporous hybrid materials. The through-bond scheme was demonstrated as a new analytical tool, which provides complementary structural information in solid-state systems in addition to through-space correlation. To further benefit the sensitivity of the INEPT transfer in rigid solids, the combined rotation and multiple-pulse spectroscopy (CRAMPS) was implemented for homonuclear 1H decoupling under fast MAS (Chapter 3). Several decoupling schemes (PMLG5m$\\bar{x}$, PMLG5mm$\\bar{x}$x and SAM3) were analyzed to maximize the performance of through-bond transfer based

  2. Analysis of Baryon Angular Correlations with Pythia

    CERN Document Server

    Mccune, Amara

    2017-01-01

    Our current understanding of baryon production is encompassed in the framework of the Lund String Fragmentation Model, which is then encoded in the Monte Carlo event generator program Pythia. In proton-proton collisions, daughter particles of the same baryon number produce an anti-correlation in $\\Delta\\eta\\Delta\\varphi$ space in ALICE data, while Pythia programs predict a correlation. To understand this unusual effect, where it comes from, and where our models of baryon production go wrong, correlation functions were systematically generated with Pythia. Effects of energy scaling, color reconnection, and popcorn parameters were investigated.

  3. Analysis and identification of two reconstituted tobacco sheets by three-level infrared spectroscopy

    Science.gov (United States)

    Wu, Xian-xue; Xu, Chang-hua; Li, Ming; Sun, Su-qin; Li, Jin-ming; Dong, Wei

    2014-07-01

    Two kinds of reconstituted tobacco (RT) from France (RTF) and China (RTC) were analyzed and identified by a three-level infrared spectroscopy method (Fourier-transform infrared spectroscopy (FT-IR) coupled with second derivative infrared spectroscopy (SD-IR) and two-dimensional infrared correlation spectroscopy (2D-IR)). The conventional IR spectra of RTF parallel samples were more consistent than those of RTC according to their overlapped parallel spectra and IR spectra correlation coefficients. FT-IR spectra of both two RTs were similar in holistic spectral profile except for small differences around 1430 cm-1, indicating that they have similar chemical constituents. By analysis of SD-IR spectra of RTFs and RTCs, more distinct fingerprint features, especially peaks at 1106 (1110), 1054 (1059) and 877 (874) cm-1, were disclosed. Even better reproducibility of five SD-IR spectra of RTF in 1750-1400 cm-1 could be seen intuitively from their stacked spectra and could be confirmed by further similarity evaluation of SD-IR spectra. Existence of calcium carbonate and calcium oxalate could be easily observed in two RTs by comparing their spectra with references. Furthermore, the 2D-IR spectra provided obvious, vivid and intuitive differences of RTF and RTC. Both two RTs had a pair of strong positive auto-peaks in 1600-1400 cm-1. Specifically, the autopeak at 1586 cm-1 in RTF was stronger than the one around 1421 cm-1, whereas the one at 1587 cm-1 in RTC was weaker than that at 1458 cm-1. Consequently, the RTs of two different brands were analyzed and identified thoroughly and RTF had better homogeneity than RTC. As a result, three-level infrared spectroscopy method has proved to be a simple, convenient and efficient method for rapid discrimination and homogeneousness estimation of RT.

  4. Micro spatial analysis of seashell surface using laser-induced breakdown spectroscopy and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Yuan; Li, Yuandong; Li, Ying [Optics and Optoelectronics Lab, Ocean University of China, Qingdao 266100 (China); Wang, Yangfan; Wang, Shi; Bao, Zhenmin [Life Science College, Ocean University of China, Qingdao 266003 (China); Zheng, Ronger, E-mail: rzheng@ouc.edu.cn [Optics and Optoelectronics Lab, Ocean University of China, Qingdao 266100 (China)

    2015-08-01

    The seashell has been studied as a proxy for the marine researches since it is the biomineralization product recording the growth development and the ocean ecosystem evolution. In this work a hybrid of Laser Induced Breakdown Spectroscopy (LIBS) and Raman spectroscopy was introduced to the composition analysis of seashell (scallop, bivalve, Zhikong). Without any sample treatment, the compositional distribution of the shell was obtained using LIBS for the element detection and Raman for the molecule recognition respectively. The elements Ca, K, Li, Mg, Mn and Sr were recognized by LIBS; the molecule carotene and carbonate were identified with Raman. It was found that the LIBS detection result was more related to the shell growth than the detection result of Raman. The obtained result suggested the shell growth might be developing in both horizontal and vertical directions. It was indicated that the LIBS–Raman combination could be an alternative way for the shell researches. - Highlights: • A LIBS–Raman hybrid system was developed. • A seashell has been analyzed for the elementary and molecular distribution with a system. • The shell growth development was studied on the surface and in the depth.

  5. Cross-Correlation of Motor Activity Signals from dc-Magnetoencephalography, Near-Infrared Spectroscopy, and Electromyography

    Directory of Open Access Journals (Sweden)

    Tilmann H. Sander

    2010-01-01

    Full Text Available Neuronal and vascular responses due to finger movements were synchronously measured using dc-magnetoencephalography (dcMEG and time-resolved near-infrared spectroscopy (trNIRS. The finger movements were monitored with electromyography (EMG. Cortical responses related to the finger movement sequence were extracted by independent component analysis from both the dcMEG and the trNIRS data. The temporal relations between EMG rate, dcMEG, and trNIRS responses were assessed pairwise using the cross-correlation function (CCF, which does not require epoch averaging. A positive lag on a scale of seconds was found for the maximum of the CCF between dcMEG and trNIRS. A zero lag is observed for the CCF between dcMEG and EMG. Additionally this CCF exhibits oscillations at the frequency of individual finger movements. These findings show that the dcMEG with a bandwidth up to 8 Hz records both slow and faster neuronal responses, whereas the vascular response is confirmed to change on a scale of seconds.

  6. Monitoring human parvovirus B19 virus-like particles and antibody complexes in solution by fluorescence correlation spectroscopy.

    Science.gov (United States)

    Toivola, Jouni; Michel, Patrik O; Gilbert, Leona; Lahtinen, Tomi; Marjomäki, Varpu; Hedman, Klaus; Vuento, Matti; Oker-Blom, Christian

    2004-01-01

    Fluorescence correlation spectroscopy (FCS) was used in monitoring human parvovirus B19 virus-like particle (VLP) antibody complexes from acute phase and past-immunity serum samples. The Oregon Green 488-labeled VLPs gave an average diffusion coefficient of 1.7 x 10(-7) cm2 s(-1) with an apparent hydrodynamic radius of 14 nm. After incubation of the fluorescent VLPs with an acute phase serum sample, the mobility information obtained from the fluorescence intensity fluctuation by autocorrelation analysis showed an average diffusion coefficient of 1.5 x 10(-8) cm2 s(-1), corresponding to an average radius of 157 nm. In contrast, incubation of the fluorescent VLPs with a past-immunity serum sample gave an average diffusion coefficient of 3.5 x 10(-8) cm2 s(-1) and a radius of 69 nm. A control serum devoid of B19 antibodies caused a change in the diffusion coefficient from 1.7 x 10(-7) to 1.6 x 10(-7) cm2 s(-1), which is much smaller than that observed with acute phase or past-immunity sera. Thus, VLP-antibody complexes with different diffusion coefficients could be identified for the acute phase and past-immunity sera. FCS measurement of VLP-immune complexes could be useful in distinguishing between antibodies present in acute phase or past-immunity sera as well as in titration of the VLPs.

  7. Correction of motion artifacts and serial correlations for real-time functional near-infrared spectroscopy.

    Science.gov (United States)

    Barker, Jeffrey W; Rosso, Andrea L; Sparto, Patrick J; Huppert, Theodore J

    2016-07-01

    Functional near-infrared spectroscopy (fNIRS) is a relatively low-cost, portable, noninvasive neuroimaging technique for measuring task-evoked hemodynamic changes in the brain. Because fNIRS can be applied to a wide range of populations, such as children or infants, and under a variety of study conditions, including those involving physical movement, gait, or balance, fNIRS data are often confounded by motion artifacts. Furthermore, the high sampling rate of fNIRS leads to high temporal autocorrelation due to systemic physiology. These two factors can reduce the sensitivity and specificity of detecting hemodynamic changes. In a previous work, we showed that these factors could be mitigated by autoregressive-based prewhitening followed by the application of an iterative reweighted least squares algorithm offline. This current work extends these same ideas to real-time analysis of brain signals by modifying the linear Kalman filter, resulting in an algorithm for online estimation that is robust to systemic physiology and motion artifacts. We evaluated the performance of the proposed method via simulations of evoked hemodynamics that were added to experimental resting-state data, which provided realistic fNIRS noise. Last, we applied the method post hoc to data from a standing balance task. Overall, the new method showed good agreement with the analogous offline algorithm, in which both methods outperformed ordinary least squares methods.

  8. Plasmonic antennas and zero mode waveguides to enhance single molecule fluorescence detection and fluorescence correlation spectroscopy towards physiological concentrations

    CERN Document Server

    Punj, Deep; Moparthi, Satish Babu; de Torres, Juan; Grigoriev, Victor; Rigneault, Hervé; Wenger, Jérôme

    2014-01-01

    Single-molecule approaches to biology offer a powerful new vision to elucidate the mechanisms that underpin the functioning of living cells. However, conventional optical single molecule spectroscopy techniques such as F\\"orster fluorescence resonance energy transfer (FRET) or fluorescence correlation spectroscopy (FCS) are limited by diffraction to the nanomolar concentration range, far below the physiological micromolar concentration range where most biological reaction occur. To breach the diffraction limit, zero mode waveguides and plasmonic antennas exploit the surface plasmon resonances to confine and enhance light down to the nanometre scale. The ability of plasmonics to achieve extreme light concentration unlocks an enormous potential to enhance fluorescence detection, FRET and FCS. Single molecule spectroscopy techniques greatly benefit from zero mode waveguides and plasmonic antennas to enter a new dimension of molecular concentration reaching physiological conditions. The application of nano-optics...

  9. Verification of Ganoderma (lingzhi) commercial products by Fourier Transform infrared spectroscopy and two-dimensional IR correlation spectroscopy

    Science.gov (United States)

    Choong, Yew-Keong; Sun, Su-Qin; Zhou, Qun; Lan, Jin; Lee, Han-Lim; Chen, Xiang-Dong

    2014-07-01

    Ganoderma commercial products are typically based on two sources, raw material (powder form and/or spores) and extract (water and/or solvent). This study compared three types of Ganoderma commercial products using 1 Dimensional Fourier Transform infrared and second derivative spectroscopy. The analyzed spectra of Ganoderma raw material products were compared with spectra of cultivated Ganoderma raw material powder from different mushroom farms in Malaysia. The Ganoderma extract product was also compared with three types of cultivated Ganoderma extracts. Other medicinal Ganoderma contents in commercial extract product that included glucan and triterpenoid were analyzed by using FTIR and 2DIR. The results showed that water extract of cultivated Ganoderma possessed comparable spectra with that of Ganoderma product water extract. By comparing the content of Ganoderma commercial products using FTIR and 2DIR, product content profiles could be detected. In addition, the geographical origin of the Ganoderma products could be verified by comparing their spectra with Ganoderma products from known areas. This study demonstrated the possibility of developing verification tool to validate the purity of commercial medicinal herbal and mushroom products.

  10. Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy

    Science.gov (United States)

    Díaz-Visurraga, Judith; Daza, Carla; Pozo, Claudio; Becerra, Abraham; von Plessing, Carlos; García, Apolinaria

    2012-01-01

    Background The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs) and sodium alginate (NaAlg) by Fourier transform infrared spectroscopy (FT-IR) and to process the spectra applying two-dimensional infrared (2D-IR) correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1) the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2) structural changes related to the incorporation of Cu NPs into the polymer matrix. Methods Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM), electron diffraction analysis, X-ray diffraction (XRD), and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer’s formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC), FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to studying the stabilization mechanism of Cu NPs by NaAlg molecules. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of stabilized Cu NPs against five bacterial strains (Staphylococccus aureus ATCC 6538P, Escherichia coli ATCC 25922 and O157: H7, and Salmonella enterica serovar Typhimurium ATCC 13311 and 14028) were evaluated with macrodilution

  11. Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy

    Directory of Open Access Journals (Sweden)

    Díaz-Visurraga J

    2012-07-01

    Full Text Available Judith Díaz-Visurraga,1,2 Carla Daza,2 Claudio Pozo,2 Abraham Becerra,2 Carlos von Plessing,1,2 Apolinaria García31Department of Pharmacy, Faculty of Pharmacy, University of Concepcion; 2Research Center of Advanced Polymers (CIPA, CONICYT REGIONAL/CIPA R08C1002; 3Department of Microbiology, Faculty of Biological Sciences, University of Concepcion, Concepción, ChileBackground: The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs and sodium alginate (NaAlg by Fourier transform infrared spectroscopy (FT-IR and to process the spectra applying two-dimensional infrared (2D-IR correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1 the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2 structural changes related to the incorporation of Cu NPs into the polymer matrix.Methods: Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM, electron diffraction analysis, X-ray diffraction (XRD, and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer’s formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC, FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to

  12. Reliability Distribution of Numerical Control Lathe Based on Correlation Analysis

    Institute of Scientific and Technical Information of China (English)

    Xiaoyan Qi; Guixiang Shen; Yingzhi Zhang; Shuguang Sun; Bingkun Chen

    2016-01-01

    Combined Reliability distribution with correlation analysis, a new method has been proposed to make Reliability distribution where considering the elements about structure correlation and failure correlation of subsystems. Firstly, we make a sequence for subsystems by means of TOPSIS which comprehends the considerations of Reliability allocation, and introducing a Copula connecting function to set up a distribution model based on structure correlation, failure correlation and target correlation, and then acquiring reliability target area of all subsystems by Matlab. In this method, not only the traditional distribution considerations are concerned, but also correlation influences are involved, to achieve supplementing information and optimizing distribution.

  13. AQP4 expression and its correlation with the Lac and NAA using proton magnetic resonance spectroscopy after rat cerebral ischemia

    Institute of Scientific and Technical Information of China (English)

    ZHOU Ren-lan; XIE Peng

    2006-01-01

    Objective: To determine whether AQP4 expression is associated with lactate (Lac) and Nacetyl aspartate (NAA) and with apparent diffusion coefficient (ADC) abnormality after rat cerebral ischemia. Methods: The time courses of ADC and lactate and NAA assessed by proton magnetic resonance spectroscopy (1HMRS) were investigated at the time point of 6 h, and 1, 3, 7 d after rat cerebral ischemia induced by middle cerebral artery occlusion. Expression of AQP4 mRNA and protein were measured using RT-PCR and Western blot analysis respectively. Results: Significant reductions of NAA concentration and increases of lactate concentration were found after rat cerebral ischemia. The expressions of AQP4 mRNA and protein were increased at 6 h, and reached the peak at 1-3 d, then began to decrease at 7 d after rat cerebral ischemia. The expression of AQP4 was significantly correlated with NAA (rRT =-0.856, rw =-0. 927, P<0. 01), and with lactate (rW=0. 473, rRT=0. 413, P<0. 05), and with ADC values during the period of 1-7 d after rat cerebral ischemia (rW=0. 984, rRT= -0. 925, P<0.05). In addition, correlations between Lac and the ADC values(r=-0. 677, P<0. 05)and between NAA and ADC values during the period of 1-7 d after rat cerebral ischemia (r= 0. 909, P<0.05) were also observed. Conclusion: The data suggest that AQP4 is involved in the transport of water when brain edema is formed and cell membrane integrity is lost.

  14. Diffusion-weighted imaging and magnetic resonance spectroscopy of sporadic Creutzfeldt-Jakob disease: correlation with clinical course

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Hyoung; Choi, Byung Se; Jung, Cheolkyu [Seoul National University Bundang Hospital, Department of Radiology, Seoul National University College of Medicine, Seongnam-si (Korea, Republic of); Chang, YoungHee; Kim, SangYun [Seoul National University Bundang Hospital, Department of Neurology, Seoul National University College of Medicine, Seongnam-si (Korea, Republic of)

    2011-12-15

    Sporadic Creutzfeldt-Jakob disease (sCJD) is a fatal disease with variable clinical courses. The presence or absence of basal ganglia (BG) involvement has been reported to be associated with clinical course. We investigated the association of clinical course of sCJD with diffusion-weighted imaging (DWI) and MR spectroscopy (MRS) as well as BG involvement at early stage. DWI and single voxel proton MRS were performed in 14 patients with sCJD during the initial diagnostic workup. Apparent diffusion coefficient (ADC) and metabolites were measured in medial occipitoparietal cortices where large hyperintense DWI lesions were found in all patients. The presence or absence of BG involvement, ADC, N-acetylaspartate (NAA)/creatine (Cr) ratios, and choline (Cho)/Cr ratios were correlated with disease duration (i.e., the time from the symptom onset to death). The disease duration ranged from 2 to 31 months (median, 16). Hyperintense DWI lesions were observed bilaterally in both cortices and basal ganglia in eight patients and in cortices alone in six patients. Patients with BG involvement had shorter disease duration (median, 6.8 versus 20.5; p = 0.039) than those without and lower NAA/Cr ratios (median, 1.41 versus 2.03; p = 0.001). ADC and Cho/Cr ratios were not significantly different between the patients with BG involvement and those without. By multiple regression analysis, NAA/Cr ratios had the greatest correlation with the disease duration (p = 0.029). The disease duration of sCJD was variable. NAA/Cr ratios of the affected brain at the early stage of sCJD can be used as a useful parameter in predicting the clinical course. (orig.)

  15. Potential of Raman and Infrared Spectroscopy for Plant Analysis

    Science.gov (United States)

    Schulz, H.

    2008-11-01

    Various mid-infrared (MIR) and Raman spectroscopic methods applied to the analysis of valuable plant substances or quality parameters in selected horticultural and agricultural crops are presented. Generally, both spectroscopy techniques allow to identify simultaneously characteristic key bands of individual plant components (e.g. carotenoids, alkaloids, polyacetylenes, fatty acids, amino acids, terpenoids). In contrast to MIR methods Raman spectroscopy mostly does not need any sample pre-treatment; even fresh plant material can be analysed without difficulty because water shows only weak Raman scattering properties. In some cases a significant sensivity enhancement of Raman signals can be achieved if the exciting laser wavelength is adjusted to the absorption range of particular plant chromophores such as carotenoids (Resonance Raman effect). Applying FT-IR or FT Raman micro-spectroscopy the distribution of certain plant constituents in the cell wall can be identified without the need for any physical separation. Furthermore it is also possible to analyse secondary metabolites occurring in the cell vacuoles if significant key bands do not coincide with the spectral background of the plant matrix.

  16. Stress analysis of zirconia studied by Raman spectroscopy at low temperatures.

    Science.gov (United States)

    Kurpaska, L; Kozanecki, M; Jasinski, J J; Sitarz, M

    2014-10-15

    The paper presents effect of low temperature upon location of selected Raman bands. The structural properties of pure zirconium pre-oxidized at 773K and 873K have been studied during cooling in the range of temperatures 273K and 93K by Raman spectroscopy. Analysis of the Raman band positions for the monoclinic phase of zirconia oxide was performed. Raman spectroscopy has shown that monoclinic phase of zirconia oxide undergoes a continuous band displacement, individual for each studied Raman mode. Registered shift is aimed towards the high frequency direction. Recorded Raman band displacement was employed to study stress state in zirconia oxide films grown on pure zirconium developed during control cooling. Presented results showed a good correlation between different thicknesses of the oxide scale.

  17. Analysis of Fungal Pellets by UV-Visible Spectrum Diffuse Reflectance Spectroscopy.

    Science.gov (United States)

    Lestan, D; Podgornik, H; Perdih, A

    1993-12-01

    The application of the UV-visible spectrum diffuse reflectance spectroscopy for the determination of intracellular pH in vivo, for determination of cytochrome content, and for the noninvasive in vivo detection of the redox state of fungal mitochondrial cytochromes in filamentous fungi is introduced. The time course of the intracellular pH values, mitochondrial cytochromes, and CO-binding pigments content and the correlations between the actual redox state of cytochrome aa(3) and saturation of growth medium with oxygen in pellets of the basidiomycete Phanerochaete chrysosporium were determined. As the test microorganism, the yeast Saccharomyces cerevisiae was used. UV-visible spectrum diffuse reflectance spectroscopy proved to be a promising method for the quick and simple analysis of light-impermeable biological structures for which the classical transmittance spectrophotometric methods are difficult to implement.

  18. Quantitative analysis of peanut oil content in ternary blended edible oil using near infrared spectroscopy

    Science.gov (United States)

    Chen, Huacai; Liu, Fuli; Wang, Zhilan; Jin, Shangzhong

    2008-03-01

    Calibration models of quantitative analysis of peanut oil content in ternary blended edible oil by near infrared spectroscopy were built using partial least square (PLS) regression. A total of 92 samples blended with three kinds of pure oil in different proportion (V/V) were prepared. Near infrared diffuse reflectance spectra of the samples were collected over 4 000 cm -1-10 000 cm -1 spectral region with a FT-NIR spectrometer. A calibration model of prediction to the peanut oil content was established with PLS using the original spectra and validated with leave-one-out cross validation method. The correlation coefficient and the RMSEC of the model were 0.9926 and 2.91%, respectively. The result showed that near infrared spectroscopy could be an ideal tool for fast determination to the peanut oil content in blended edible oil.

  19. [Analysis of astaxanthin in Phaffia rhodozyma using laser tweezers raman spectroscopy].

    Science.gov (United States)

    Wang, Xue; Sun, Mei-Juan; Liu, Jun-Xian; Deng, Yang-Ge; Mo, Yu-Xiang; Tao, Zhan-Hua

    2012-09-01

    In the present paper, a method was established based on laser tweezer Raman spectroscopy for rapid quantification of astaxanthin in Phaffia rhodozyma cells. First, the Raman spectra of astaxanthin standard solution with different concentrations were determined and the standard curve for astaxanthin with the peak intensity at 1 520 cm- was plotted; And then the Phaffia yeast cells cultivated in different nitrogen source and carbon source medium were divided into two parts, one for the detection of Raman spectra, and the other for the determination of ultraviolet visible spectrophotometry; Finally the relationship between the two methods was analyzed. The correlation coefficient of standard curve for astaxanthin is 0.998 3. Comparing laser tweezers Raman spectroscopy method with traditional ultraviolet visible spectrophotometry in analyzing the content of astaxanthin in unit mass Phaffia rhodozyma and the yield of astaxanthin in unit volume fermentation broth of Phaffia rhodozyma, the authors found that the data obtained have good linear relationship. And the correlation coefficients are 0.917 7 and 0.905 4, respectively. Therefore, both methods have almost the same effect of measuement. But laser tweezers Raman spectroscopy method is more efficient in the quantitative analysis of astaxanthin in Phaffia rhodozyma cells.

  20. Analysis of thermal degradation of organic light-emitting diodes with infrared imaging and impedance spectroscopy.

    Science.gov (United States)

    Kwak, Kiyeol; Cho, Kyoungah; Kim, Sangsig

    2013-12-02

    We propose a route to examine the thermal degradation of organic light-emitting diodes (OLEDs) with infrared (IR) imaging and impedance spectroscopy. Four different OLEDs with tris (8-hydroxyquinolinato) aluminum are prepared in this study for the analysis of thermal degradation. Our comparison of the thermal and electrical characteristics of these OLEDs reveals that the real-time temperatures of these OLEDs obtained from the IR images clearly correlate with the electrical properties and lifetimes. The OLED with poor electrical properties shows a fairly high temperature during the operation and a considerably short lifetime. Based on the correlation of the real-time temperature and the performance of the OLEDs, the impedance results suggest different thermal degradation mechanisms for each of the OLEDs. The analysis method suggested in this study will be helpful in developing OLEDs with higher efficiency and longer lifetime.

  1. Optical Absorption Spectroscopy for Gas Analysis in Biomass Gasification

    DEFF Research Database (Denmark)

    Grosch, Helge

    the concentration of the mentioned compounds. However, continuous measurements of different species directly in the gas (in-situ) and at the same time are scarce. In this work, the basis of optical in-situ analysis with ultraviolet and infrared spectroscopy was build to determine the concentration of the most...... important gas species of the low-temperature circulating fluidized bed gasifier. At first, a special gas cell,the hot gas flow cell (HGC), was build up and veried. In this custom-made gas cell, the optical properties, the so-called absorption cross-sections, of the most important sulfur and aromatic...

  2. Rapid discrimination of extracts of Chinese propolis and poplar buds by FT-IR and 2D IR correlation spectroscopy

    Science.gov (United States)

    Wu, Yan-Wen; Sun, Su-Qin; Zhao, Jing; Li, Yi; Zhou, Qun

    2008-07-01

    The extract of Chinese propolis (ECP) has recently been adulterated with that of poplar buds (EPB), because most of ECP is derived from the poplar plant, and ECP and EPB have almost identical chemical compositions. It is very difficult to differentiate them by using the chromatographic methods such as high performance liquid chromatography (HPLC) and gas chromatography (GC). Therefore, how to effectively discriminate these two mixtures is a problem to be solved urgently. In this paper, a rapid method for discriminating ECP and EPB was established by the Fourier transform infrared (FT-IR) spectra combined with the two-dimensional infrared correlation (2D IR) analysis. Forty-three ECP and five EPB samples collected from different areas of China were analyzed by the FT-IR spectroscopy. All the ECP and EPB samples tested show similar IR spectral profiles. The significant differences between ECP and EPB appear in the region of 3000-2800 cm -1 of the spectra. Based on such differences, the two species were successfully classified with the soft independent modeling of class analogy (SIMCA) pattern recognition technique. Furthermore, these differences were well validated by a series of temperature-dependent dynamic FT-IR spectra and the corresponding 2D IR plots. The results indicate that the differences in these two natural products are caused by the amounts of long-chain alkyl compounds (including long-chain alkanes, long-chain alkyl esters and long chain alkyl alcohols) in them, rather than the flavonoid compounds, generally recognized as the bioactive substances of propolis. There are much more long-chain alkyl compounds in ECP than those in EPB, and the carbon atoms of the compounds in ECP remain in an order Z-shaped array, but those in EPB are disorder. It suggests that FT-IR and 2D IR spectroscopy can provide a valuable method for the rapid differentiation of similar natural products, ECP and EPB. The IR spectra could directly reflect the integrated chemical

  3. Slow aging dynamics and avalanches in a gold-cadmium alloy investigated by x-ray photon correlation spectroscopy.

    Science.gov (United States)

    Müller, L; Waldorf, M; Gutt, C; Grübel, G; Madsen, A; Finlayson, T R; Klemradt, U

    2011-09-01

    Results of a x-ray photon correlation spectroscopy experiment on the very weakly first order martensitic transformation of a Au50.5Cd49.5 single crystal are presented. Slow non-equilibrium-dynamics are observed in a narrow temperature interval in the direct vicinity of the otherwise athermal phase transformation. These dynamics are associated with the martensite-aging effect. The dynamical aging is accompanied by an avalanchelike behavior which is identified with an incubation-time phenomenon.

  4. Analysis of antique bronze coins by Laser Induced Breakdown Spectroscopy and multivariate analysis

    Science.gov (United States)

    Bachler, M. Orlić; Bišćan, M.; Kregar, Z.; Jelovica Badovinac, I.; Dobrinić, J.; Milošević, S.

    2016-09-01

    This work presents a feasibility study of applying the Principal Component Analysis (PCA) to data obtained by Laser-Induced Breakdown Spectroscopy (LIBS) with the aim of determining correlation between different samples. The samples were antique bronze coins coated in silver (follis) dated in the Roman Empire period and were made during different rulers in different mints. While raw LIBS data revealed that in the period from the year 286 to 383 CE content of silver was constantly decreasing, the PCA showed that the samples can be somewhat grouped together based on their place of origin, which could be a useful hint when analysing unknown samples. It was also found that PCA can help in discriminating spectra corresponding to ablation from the surface and from the bulk. Furthermore, Partial Least Squares method (PLS) was used to obtain, based on a set of samples with known composition, an estimation of relative copper concentration in studied ancient coins. This analysis showed that copper concentration in surface layers ranged from 83% to 90%.

  5. Integration of independent component analysis with near-infrared spectroscopy for analysis of bioactive components in the medicinal plant Gentiana scabra Bunge

    OpenAIRE

    Yung-Kun Chuang; I-Chang Yang; Yangming Martin Lo; Chao-Yin Tsai; Suming Chen

    2014-01-01

    Independent component (IC) analysis was applied to near-infrared spectroscopy for analysis of gentiopicroside and swertiamarin; the two bioactive components of Gentiana scabra Bunge. ICs that are highly correlated with the two bioactive components were selected for the analysis of tissue cultures, shoots and roots, which were found to distribute in three different positions within the domain [two-dimensional (2D) and 3D] constructed by the ICs. This setup could be used for quantitative determ...

  6. Premaceral contents of peats correlated with proximate and ultimate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, A.D.; Andrejko, M.J.

    1983-01-01

    Preliminary correlations of petrographic characteristics of peats (i.e., peat types, premaceral proportions, and premaceral types) with proximate analysis, ultimate analysis, and Btu content are reported. These correlations suggest the following trends: (1) peats with the highest proportions of birefringent macerals tend to have highest volatile matter (and H and O contents); (2) fluorescence of macerals seems to correlate only slightly with proximate and ultimate analyses; (3) higher previtrinite contents tend to correlate with higher volatile matter contents; (4) peats with higher preinertinities, prephlobaphenites (and precorpocollinites), and presclerotinites have the highest fixed carbon; and (5) Btu correlates strongly with ash content and only slightly with maceral content. (BLM)

  7. Enhancing FTIR imaging capabilities with two-dimensional correlation spectroscopy (2DCOS): A study of concentration gradients of collagen and proteoglycans in human patellar cartilage

    Science.gov (United States)

    Jiang, Eric Y.; Rieppo, Jarno

    2006-11-01

    This paper explores a new application of two-dimensional correlation spectroscopy (2DCOS) in FTIR spectroscopic imaging analysis of biological samples. A particular example demonstrated in this paper is the characterization of concentration gradients of collagen and proteoglycans in human patellar cartilage. A focal plane array detector-based FTIR imaging system has been proven to be an efficient tool to detect early collagen and proteoglycans degradation in developing osteoarthrosis through evaluating compositional changes of osteoarthritic cartilage along the depth. However, the closely overlapped bands of collagen and proteoglycans make normal spectral and spatial analysis difficult. With 2DCOS analysis of the imaging data, it is possible to enhance the spectral resolution and reveal distinctive compositional changes that are normally hidden with conventional approaches. The combined technique, FTIR imaging enhanced with 2DCOS, provides new possibilities to solve challenging problems in the analysis of complex biological systems.

  8. Generalised 2D-correlation NMR analysis of a wine fermentation.

    Science.gov (United States)

    Kirwan, Gemma M; Clark, Shona; Barnett, Neil W; Niere, Julie O; Adams, Michael J

    2008-11-23

    A wine fermentation has been monitored on a daily basis by (1)H NMR spectroscopy. Following data pre-processing that includes synthesis of the spectra to ensure all peaks are of constant half-width, the series of spectra were examined using generalised two-dimensional correlation techniques. Synchronous and asynchronous data maps have been generated and employed to interpret the changes in the fermentation process as a function of time. The results illustrate the potential of high resolution NMR with multivariate data analysis as a tool for process monitoring and the manner in which two-dimensional correlation mapping can aid in data interpretation.

  9. Infrared analysis of thin layers by attenuated total reflection spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rochat, N.; Chabli, A.; Bertin, F.; Vergnaud, C.; Mur, P.; Petitdidier, S.; Besson, P

    2003-09-15

    Interests in infrared spectroscopy (IRS) have been stimulated by the increasing need for non-destructive surface characterization providing structural and chemical informations about the new materials used in microelectronic devices. Standard infrared spectroscopy of thin layers is limited because of its lack of sensitivity. The use of optical configurations such as the attenuated total reflection (ATR) allows to characterize nanometric layers. This paper will present the results of a study conducted for a better understanding of the capabilities and limitations of this technique. A theoretical analysis based on a perturbation method is used to elucidate the results of ATR measurements performed on silicon oxide layers of different thickness on silicon substrates. This analysis shows that the absorbance ATR spectrum in p polarization is the image of the layer energy loss function, under specific conditions. The exact ATR spectrum simulation using a matrix formalism showed that the straightforward interpretation in terms of the layer dielectric function is limited to a very narrow layer thickness range. The fitting process of the ATR spectrum is evaluated for the interpretation of experimental spectra obtained for the growth of chemical silicon oxide layers.

  10. APPLICATION OF ABSORPTION SPECTROSCOPY TO ACTINIDE PROCESS ANALYSIS AND MONITORING

    Energy Technology Data Exchange (ETDEWEB)

    Lascola, R.; Sharma, V.

    2010-06-03

    The characteristic strong colors of aqueous actinide solutions form the basis of analytical techniques for actinides based on absorption spectroscopy. Colorimetric measurements of samples from processing activities have been used for at least half a century. This seemingly mature technology has been recently revitalized by developments in chemometric data analysis. Where reliable measurements could formerly only be obtained under well-defined conditions, modern methods are robust with respect to variations in acidity, concentration of complexants and spectral interferents, and temperature. This paper describes two examples of the use of process absorption spectroscopy for Pu analysis at the Savannah River Site, in Aiken, SC. In one example, custom optical filters allow accurate colorimetric measurements of Pu in a stream with rapid nitric acid variation. The second example demonstrates simultaneous measurement of Pu and U by chemometric treatment of absorption spectra. The paper concludes with a description of the use of these analyzers to supplement existing technologies in nuclear materials monitoring in processing, reprocessing, and storage facilities.

  11. Power Budget Analysis for Waveguide-Enhanced Raman Spectroscopy.

    Science.gov (United States)

    Wang, Zilong; Pearce, Stuart J; Lin, Yung-Chun; Zervas, Michalis N; Bartlett, Philip N; Wilkinson, James S

    2016-08-01

    Waveguide-enhanced Raman spectroscopy (WERS) is emerging as an attractive alternative to plasmonic surface-enhanced Raman spectroscopy approaches as it can provide more reproducible quantitative spectra on a robust chip without the need for nanostructured plasmonic materials. Realizing portable WERS systems with high sensitivity using low-cost laser diodes and compact spectrometers requires a detailed analysis of the power budget from laser to spectrometer chip. In this paper, we describe theoretical optimization of planar waveguides for maximum Raman excitation efficiency, demonstrate WERS for toluene on a silicon process compatible high index contrast tantalum pentoxide waveguide, measure the absolute conversion efficiency from pump power to received power in an individual Raman line, and compare this with a power budget analysis of the complete system including collection with an optical fiber and interfacing to a compact spectrometer. Optimized 110 nm thick Ta2O5 waveguides on silica substrates excited at a wavelength of 637 nm are shown experimentally to yield overall system power conversion efficiency of ∼0.5 × 10(-12) from the pump power in the waveguide to the collected Raman power in the 1002 cm(-1) Raman line of toluene, in comparison with a calculated efficiency of 3.9 × 10(-12) Collection efficiency is dictated by the numerical and physical apertures of the spectral detection system but may be improved by further engineering the spatial and angular Raman scattering distributions.

  12. Elastic sequence correlation for human action analysis.

    Science.gov (United States)

    Wang, Li; Cheng, Li; Wang, Liang

    2011-06-01

    This paper addresses the problem of automatically analyzing and understanding human actions from video footage. An "action correlation" framework, elastic sequence correlation (ESC), is proposed to identify action subsequences from a database of (possibly long) video sequences that are similar to a given query video action clip. In particular, we show that two well-known algorithms, namely approximate pattern matching in computer and information sciences and dynamic time warping (DTW) method in signal processing, are special cases of our ESC framework. The proposed framework is applied to two important real-world applications: action pattern retrieval, as well as action segmentation and recognition, where, on average, its run time speed (in matlab) is about 3.3 frames per second. In addition, comparing with the state-of-the-art algorithms on a number of challenging data sets, our approach is demonstrated to perform competitively.

  13. OPERATIONAL MODAL ANALYSIS SCHEMES USING CORRELATION TECHNIQUE

    Institute of Scientific and Technical Information of China (English)

    Zheng Min; Shen Fan; Chen Huaihai

    2005-01-01

    For some large-scale engineering structures in operating conditions, modal parameters estimation must base itself on response-only data. This problem has received a considerable amount of attention in the past few years. It is well known that the cross-correlation function between the measured responses is a sum of complex exponential functions of the same form as the impulse response function of the original system. So this paper presents a time-domain operating modal identification global scheme and a frequency-domain scheme from output-only by coupling the cross-correlation function with conventional modal parameter estimation. The outlined techniques are applied to an airplane model to estimate modal parameters from response-only data.

  14. Evaluation of invasiveness of astrocytoma using {sup 1}H-magnetic resonance spectroscopy: correlation with expression of matrix metalloproteinase-2

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai; Li, Chuanfu; Ma, Xiangxing; Meng, Xiangshui; Feng, Dechao [Shandong University, Department of Radiology, Qilu Hospital, Jinan (China); Liu, Ying [Shandong University, Department of Radiology, Qilu Hospital, Jinan (China); Anhui Provincial Hospital, MRI Department, Hefei (China); Li, Li [Shandong University, Department of Pathology, Qilu Hospital, Jinan (China)

    2007-11-15

    Even low-grade astrocytomas infiltrate the entire brain, a feature that precludes their successful therapy. So to assess the invasive potential of astrocytoma is very important. The aim of this study was determine whether there is a significant correlation between the results of {sup 1}H-magnetic resonance spectroscopy ({sup 1}H-MRS) and tumor invasive potential of astrocytoma, which is reflected by expression of matrix metalloproteinase-2 (MMP-2). The {sup 1}H-MRS spectra of 41 histologically verified astrocytomas were obtained on a 3-T MR scanner. According to the World Health Organization classification criteria for central nervous system tumors, there were 16 low-grade astrocytomas (2 pilocytic astrocytomas, 14 grade II astrocytomas) and 25 high-grade astrocytomas (5 anaplastic astrocytomas, 20 glioblastomas).The choline/N-acetylaspartate (Cho/NAA) and choline/creatine (Cho/Cr) ratios were calculated. Of the 41 astrocytomas, 19 (8 low-grade and 11 high-grade) were analyzed immunohistochemically. Expression of MMP-2 was determined using streptavidin-peroxidase complex (SP) staining which was quantified by calculating its calibrated opacity density (COD) using an image analysis system. The correlations between metabolite ratios and the quantitative data from the immunohistochemical tests in the 19 astrocytomas were determined. The Cho/NAA and Cho/Cr ratios of high-grade astrocytoma were both significantly greater than those of low-grade astrocytoma (t = -6.222, P = 0.000; t = -6.533, P = 0.000, respectively). MMP-2 COD values of high-grade astrocytomas were also significantly greater than those of low-grade astrocytomas (t = -5.892, P = 0.000). There were strong positive correlations between Cho/NAA ratio and MMP-2 COD (r = 0.669, P = 0.002), and between Cho/Cr ratio and MMP-2 COD (r = 0.689, P = 0.001). {sup 1}H-MRS is helpful in evaluating the invasiveness of astrocytomas and predicting prognosis preoperatively by determining the Cho/NAA and Cho/Cr ratios

  15. Artifact-Free and Detection-Profile-Independent Higher-Order Fluorescence Correlation Spectroscopy for Microsecond-Resolved Kinetics. 1. Multidetector and Sub-Binning Approach.

    Science.gov (United States)

    Abdollah-Nia, Farshad; Gelfand, Martin P; Van Orden, Alan

    2017-03-23

    Fluorescence correlation spectroscopy (FCS) is a powerful tool in the time-resolved analysis of nonreacting or reacting molecules in solution, based on fluorescence intensity fluctuations. However, conventional (second-order) FCS alone is insufficient to measure all parameters needed to describe a reaction or mixture, including concentrations, fluorescence brightnesses, and forward and reverse rate constants. For this purpose, correlations of higher powers of fluorescence intensity fluctuations can be calculated to yield additional information from the single-photon data stream collected in an FCS experiment. To describe systems of diffusing and reacting molecules, considering cumulants of fluorescence intensity results in simple expressions in which the reaction and diffusion parts factorize. The computation of higher-order correlations in experiments is hindered by shot-noise and common detector artifacts, the effects of which become worse with increasing order. In this article, we introduce a technique to calculate artifact-free higher-order correlation functions with improved time resolution, and without any need for modeling and calibration of detector artifacts. The technique is formulated for general multidetector experiments and verified in both two-detector and single-detector configurations. Good signal-to-noise ratio is achieved down to 1 μs in correlation curves up to order (2, 2). This capability makes possible a variety of new measurements including multicomponent analysis and fast reaction kinetics, as demonstrated in a companion article (10.1021/acs.jpcb.7b00408).

  16. Asymmetric matrices in an analysis of financial correlations

    CERN Document Server

    Kwapien, J; Górski, A Z; Oswiecimka, P

    2006-01-01

    Financial markets are highly correlated systems that reveal both the inter-market dependencies and the correlations among their different components. Standard analyzing techniques include correlation coefficients for pairs of signals and correlation matrices for rich multivariate data. In the latter case one constructs a real symmetric matrix with real non-negative eigenvalues describing the correlation structure of the data. However, if one performs a correlation-function-like analysis of multivariate data, when a stress is put on investigation of delayed dependencies among different types of signals, one can calculate an asymmetric correlation matrix with complex eigenspectrum. From the Random Matrix Theory point of view this kind of matrices is closely related to Ginibre Orthogonal Ensemble (GinOE). We present an example of practical application of such matrices in correlation analyses of empirical data. By introducing the time lag, we are able to identify temporal structure of the inter-market correlation...

  17. Analysis of spreadable cheese by Raman spectroscopy and chemometric tools.

    Science.gov (United States)

    Oliveira, Kamila de Sá; Callegaro, Layce de Souza; Stephani, Rodrigo; Almeida, Mariana Ramos; de Oliveira, Luiz Fernando Cappa

    2016-03-01

    In this work, FT-Raman spectroscopy was explored to evaluate spreadable cheese samples. A partial least squares discriminant analysis was employed to identify the spreadable cheese samples containing starch. To build the models, two types of samples were used: commercial samples and samples manufactured in local industries. The method of supervised classification PLS-DA was employed to classify the samples as adulterated or without starch. Multivariate regression was performed using the partial least squares method to quantify the starch in the spreadable cheese. The limit of detection obtained for the model was 0.34% (w/w) and the limit of quantification was 1.14% (w/w). The reliability of the models was evaluated by determining the confidence interval, which was calculated using the bootstrap re-sampling technique. The results show that the classification models can be used to complement classical analysis and as screening methods.

  18. Discrimination and content analysis of fritillaria using near infrared spectroscopy.

    Science.gov (United States)

    Meng, Yu; Wang, Shisheng; Cai, Rui; Jiang, Bohai; Zhao, Weijie

    2015-01-01

    Fritillaria is a traditional Chinese herbal medicine which can be used to moisten the lungs. The objective of this study is to develop simple, accurate, and solvent-free methods to discriminate and quantify Fritillaria herbs from seven different origins. Near infrared spectroscopy (NIRS) methods are established for the rapid discrimination of seven different Fritillaria samples and quantitative analysis of their total alkaloids. The scaling to first range method and the partial least square (PLS) method are used for the establishment of qualitative and quantitative analysis models. As a result of evaluation for the qualitative NIR model, the selectivity values between groups are always above 2, and the mistaken judgment rate of fifteen samples in prediction sets was zero. This means that the NIR model can be used to distinguish different species of Fritillaria herbs. The established quantitative NIR model can accurately predict the content of total alkaloids from Fritillaria samples.

  19. Diffusion tensor imaging and proton magnetic resonance spectroscopy in brain tumorCorrelation between structure and metabolism

    Institute of Scientific and Technical Information of China (English)

    Zhigang Min; Chen Niu; Netra Rana; Huanmei Ji; Ming Zhang

    2013-01-01

    Proton magnetic resonance spectroscopy and diffusion tensor imaging are non-invasive techniques used to detect metabolites and water diffusion in vivo. Previous studies have confirmed a positive correlation of individual fractional anisotropy values with N-acetylaspartate/creatine and N-acetylaspartate/choline ratios in tumors, edema, and normal white matter. This study divided the brain parenchyma into tumor, peritumoral edema, and normal-appearing white matter according to MRI data, and analyzed the correlation of metabolites with water molecular diffusion. Results demonstrated that in normal-appearing white matter, N-acetylaspartate/creatine ratios were positively correlated with fractional anisotropy values, negatively correlated with radial diffusivities, and positively correlated with maximum eigenvalues. Maximum eigenvalues and radial diffusivities in peritumoral edema showed a negative correlation with choline, N-acetylaspartate, and creatine. Radial diffusivities in tumor demonstrated a negative correlation with choline. These data suggest that the relationship between metabolism and structure is markedly changed from normal white matter to peritumoral edema and tumor. Neural metabolism in the peritumoral edema area decreased with expanding extracellular space. The normal relationship of neural function and microstructure disappeared in the tumor region.

  20. Portable Infrared Laser Spectroscopy for On-site Mycotoxin Analysis

    Science.gov (United States)

    Sieger, Markus; Kos, Gregor; Sulyok, Michael; Godejohann, Matthias; Krska, Rudolf; Mizaikoff, Boris

    2017-03-01

    Mycotoxins are toxic secondary metabolites of fungi that spoil food, and severely impact human health (e.g., causing cancer). Therefore, the rapid determination of mycotoxin contamination including deoxynivalenol and aflatoxin B1 in food and feed samples is of prime interest for commodity importers and processors. While chromatography-based techniques are well established in laboratory environments, only very few (i.e., mostly immunochemical) techniques exist enabling direct on-site analysis for traders and manufacturers. In this study, we present MYCOSPEC - an innovative approach for spectroscopic mycotoxin contamination analysis at EU regulatory limits for the first time utilizing mid-infrared tunable quantum cascade laser (QCL) spectroscopy. This analysis technique facilitates on-site mycotoxin analysis by combining QCL technology with GaAs/AlGaAs thin-film waveguides. Multivariate data mining strategies (i.e., principal component analysis) enabled the classification of deoxynivalenol-contaminated maize and wheat samples, and of aflatoxin B1 affected peanuts at EU regulatory limits of 1250 μg kg‑1 and 8 μg kg‑1, respectively.

  1. Portable Infrared Laser Spectroscopy for On-site Mycotoxin Analysis

    Science.gov (United States)

    Sieger, Markus; Kos, Gregor; Sulyok, Michael; Godejohann, Matthias; Krska, Rudolf; Mizaikoff, Boris

    2017-01-01

    Mycotoxins are toxic secondary metabolites of fungi that spoil food, and severely impact human health (e.g., causing cancer). Therefore, the rapid determination of mycotoxin contamination including deoxynivalenol and aflatoxin B1 in food and feed samples is of prime interest for commodity importers and processors. While chromatography-based techniques are well established in laboratory environments, only very few (i.e., mostly immunochemical) techniques exist enabling direct on-site analysis for traders and manufacturers. In this study, we present MYCOSPEC - an innovative approach for spectroscopic mycotoxin contamination analysis at EU regulatory limits for the first time utilizing mid-infrared tunable quantum cascade laser (QCL) spectroscopy. This analysis technique facilitates on-site mycotoxin analysis by combining QCL technology with GaAs/AlGaAs thin-film waveguides. Multivariate data mining strategies (i.e., principal component analysis) enabled the classification of deoxynivalenol-contaminated maize and wheat samples, and of aflatoxin B1 affected peanuts at EU regulatory limits of 1250 μg kg−1 and 8 μg kg−1, respectively. PMID:28276454

  2. Monitoring receptor oligomerization by line-scan fluorescence cross-correlation spectroscopy

    NARCIS (Netherlands)

    Hink, M.A.; Postma, M.; Conn, P.M.

    2013-01-01

    Membrane-localized receptor proteins are involved in many signaling cascades, and diffusion and oligomerization are key processes controlling their activity. In order to study these processes in living cells, fluorescence fluctuation spectroscopy techniques have been developed that allow the quantif

  3. Analysis algorithm for digital data used in nuclear spectroscopy

    CERN Document Server

    AUTHOR|(CDS)2085950; Sin, Mihaela

    Data obtained from digital acquisition systems used in nuclear spectroscopy experiments must be converted by a dedicated algorithm in or- der to extract the physical quantities of interest. I will report here the de- velopment of an algorithm capable to read digital data, discriminate between random and true signals and convert the results into a format readable by a special data analysis program package used to interpret nuclear spectra and to create coincident matrices. The algorithm can be used in any nuclear spectroscopy experimental setup provided that digital acquisition modules are involved. In particular it was used to treat data obtained from the IS441 experiment at ISOLDE where the beta decay of 80Zn was investigated as part of ultra-fast timing studies of neutron rich Zn nuclei. The results obtained for the half-lives of 80Zn and 80Ga were in very good agreement with previous measurements. This fact proved unquestionably that the conversion algorithm works. Another remarkable result was the improve...

  4. Analysis of Pulverized Coal by Laser-Induced Breakdown Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Laser-induced breakdown spectroscopy (LIBS) has been used to detect atomic species in various environments. The quantitative analysis (C, H, O, N and S) of representative coal samples are being carried out with LIBS, and the effects of particle size are analyzed.A powerful pulse Nd:YAG laser is focused on the coal sample at atmosphere pressure, and the emission spectra from laser-induced plasmas are measured by time-resolved spectroscopy, and the intensity of analyzed spectral lines is obtained through observing the laser plasma with a delay time of 0.4μs. The experimental results show that the slope of calibration curve is nearly 1 when the concentration of the analyzed element is relatively low, and the slope of curve is nearly 0.5 when the concentration of C is higher than other elements. In addition, using the calibration-free model without self-absorption effect, the results show that the decreasing of particle size leads to an increase of the plasma temperature.

  5. Handwriting: Feature Correlation Analysis for Biometric Hashes

    Directory of Open Access Journals (Sweden)

    Ralf Steinmetz

    2004-04-01

    Full Text Available In the application domain of electronic commerce, biometric authentication can provide one possible solution for the key management problem. Besides server-based approaches, methods of deriving digital keys directly from biometric measures appear to be advantageous. In this paper, we analyze one of our recently published specific algorithms of this category based on behavioral biometrics of handwriting, the biometric hash. Our interest is to investigate to which degree each of the underlying feature parameters contributes to the overall intrapersonal stability and interpersonal value space. We will briefly discuss related work in feature evaluation and introduce a new methodology based on three components: the intrapersonal scatter (deviation, the interpersonal entropy, and the correlation between both measures. Evaluation of the technique is presented based on two data sets of different size. The method presented will allow determination of effects of parameterization of the biometric system, estimation of value space boundaries, and comparison with other feature selection approaches.

  6. Raman correlation spectroscopy: A feasibility study of a new optical correlation technique and development of multi-component nanoparticles using the reprecipitation method

    Science.gov (United States)

    Nishida, Maki

    The feasibility of Raman correlation spectroscopy (RCS) is investigated as a new temporal optical fluctuation spectroscopy in this dissertation. RCS analyzes the correlations of the intensity fluctuations of Raman scattering from particles in a suspension that undergo Brownian motion. Because each Raman emission line arises from a specific molecular bond, the RCS method could yield diffusion behavior of specific chemical species within a dispersion. Due to the nature of Raman scattering as a coherent process, RCS could provide similar information as acquired in dynamic light scattering (DLS) and be practical for various applications that requires the chemical specificity in dynamical information. The theoretical development is discussed, and four experimental implementations of this technique are explained. The autocorrelation of the intensity fluctuations from a beta-carotene solution is obtained using the some configurations; however, the difficulty in precise alignment and weak nature of Raman scattering prevented the achievement of high sensitivity and resolution. Possible fluctuations of the phase of Raman scattering could also be affecting the results. A possible explanation of the observed autocorrelation in terms of number fluctuations of particles is also examined to test the feasibility of RCS as a new optical characterization method. In order to investigate the complex systems for which RCS would be useful, strategies for the creation of a multicomponent nanoparticle system are also explored. Using regular solution theory along with the concept of Hansen solubility parameters, an analytical model is developed to predict whether two or more components will form single nanoparticles, and what effect various processing conditions would have. The reprecipitation method was used to demonstrate the formation of the multi-component system of the charge transfer complex perylene:TCNQ (tetracyanoquinodimethane) and the active pharmaceutical ingredient cocrystal

  7. Techniques useful in two-dimensional correlation and codistribution spectroscopy (2DCOS and 2DCDS) analyses

    Science.gov (United States)

    Noda, Isao

    2016-11-01

    Certain techniques useful in enhancing the features of two-dimensional correlation and codistribution spectra (2DCOS and 2DCDS) are reviewed. 2DCOS sorts out the coordinated or sequential variations of spectral intensities induced by an external perturbation applied to a sample system. 2DCDS is designed to determine the order of the presence of individual species. Pareto scaling of data helps to regulate overwhelmingly strong signal contributions, which may obscure the fine features of 2DCOS and 2DCDS spectra. Pearson unit-variance scaling has some limitations by itself but is useful in some applications. Modified forms of asynchronous 2D spectrum combine the features of both synchronous and asynchronous spectra and can be used as a stand-alone 2D map for the streamlined determination of the sequential order of spectral intensity variations. Null-space projection simplifies congested 2D spectra by eliminating select features, such as contribution from a specific component. Node attenuation is a band narrowing technique suitable for 2D analysis, because it does not produce opposite-sign side lobes. Performance of each technique in enhancing the features of 2D spectra is demonstrated with a model set of experimental spectra.

  8. Extracting coal ash content from laser-induced breakdown spectroscopy (LIBS) spectra by multivariate analysis.

    Science.gov (United States)

    Yao, Shunchun; Lu, Jidong; Dong, Meirong; Chen, Kai; Li, Junyan; Li, Jun

    2011-10-01

    Laser-induced breakdown spectroscopy (LIBS) combined with partial least squares (PLS) analysis has been applied for the quantitative analysis of the ash content of coal in this paper. The multivariate analysis method was employed to extract coal ash content information from LIBS spectra rather than from the concentrations of the main ash-forming elements. In order to construct a rigorous partial least squares regression model and reduce the calculation time, different spectral range data were used to construct partial least squares regression models, and then the performances of these models were compared in terms of the correlation coefficients of calibration and validation and the root mean square errors of calibration and cross-validation. Afterwards, the prediction accuracy, reproducibility, and the limit of detection of the partial least squares regression model were validated with independent laser-induced breakdown spectroscopy measurements of four unknown samples. The results show that a good agreement is observed between the ash content provided by thermo-gravimetric analyzer and the LIBS measurements coupled to the PLS regression model for the unknown samples. The feasibility of extracting coal ash content from LIBS spectra is approved. It is also confirmed that this technique has good potential for quantitative analysis of the ash content of coal.

  9. Fast analysis of wood preservers using laser induced breakdown spectroscopy

    Science.gov (United States)

    Uhl, A.; Loebe, K.; Kreuchwig, L.

    2001-06-01

    Laser-induced breakdown spectroscopy (LIBS) is used for the investigation of wood preservers in timber and in furniture. Both experiments in laboratory and practical applications in recycling facilities and on a building site prove the new possibilities for the fast detection of harmful agents in wood. A commercial system was developed for mobile laser-plasma-analysis as well as for industrial use in sorting plants. The universal measuring principle in combination with an Echelle optics permits real simultaneous multi-element-analysis in the range of 200-780 nm with a resolution of a few picometers. It enables the user to detect main and trace elements in wood within a few seconds, nearly independent of the matrix, knowing that different kinds of wood show an equal elemental composition. Sample preparation is not required. The quantitative analysis of inorganic wood preservers (containing, e.g. Cu, Cr, B, As, Pb, Hg) has been performed exactly using carbon as reference element. It can be shown that the detection limits for heavy metals in wood are in the ppm-range. Additional information is given concerning the quantitative analysis. Statistical data, e.g. the standard deviation (S.D.), were determined and calibration curves were used for each particular element. A comparison between ICP-AES and LIBS is given using depth profile correction factors regarding the different penetration depths with respect to the different volumes in wood analyzed by both analytical methods.

  10. Correlation coefficient mapping in fluorescence spectroscopy: tissue classification for cancer detection.

    Science.gov (United States)

    Crowell, Ed; Wang, Gufeng; Cox, Jason; Platz, Charles P; Geng, Lei

    2005-03-01

    Correlation coefficient mapping has been applied to intrinsic fluorescence spectra of colonic tissue for the purpose of cancer diagnosis. Fluorescence emission spectra were collected of 57 colonic tissue sites in a range of 4 physiological conditions: normal (29), hyperplastic (2), adenomatous (5), and cancerous tissues (21). The sample-sample correlation was used to examine the ability of correlation coefficient mapping to determine tissue disease state. The correlation coefficient map indicates two main categories of samples. These categories were found to relate to disease states of the tissue. Sensitivity, selectivity, predictive value positive, and predictive value negative for differentiation between normal tissue and all other categories were all above 92%. This was found to be similar to, or higher than, tissue classification using existing methods of data reduction. Wavelength-wavelength correlation among the samples highlights areas of importance for tissue classification. The two-dimensional correlation map reveals absorption by NADH and hemoglobin in the samples as negative correlation, an effect not obvious from the one-dimensional fluorescence spectra alone. The integrity of tissue was examined in a time series of spectra of a single tissue sample taken after tissue resection. The wavelength-wavelength correlation coefficient map shows the areas of significance for each fluorophore and their relation to each other. NADH displays negative correlation to collagen and FAD, from the absorption of emission or fluorescence resonance energy transfer. The wavelength-wavelength correlation map for the decay set also clearly shows that there are only three fluorophores of importance in the samples, by the well-defined pattern of the map. The sample-sample correlation coefficient map reveals the changes over time and their impact on tissue classification. Correlation coefficient mapping proves to be an effective method for sample classification and cancer

  11. Analysis of Microstructure of Silicon Carbide Fiber by Raman Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Baohong JIN; Nanlin SHI

    2008-01-01

    The SiC fiber was prepared by chemical vapour depostion, which consists of tungsten core, SiC layer and carbon coating. The microstructure of the fiber was investigated using Raman spectroscopy, illustrating SiC variation in different region of the fiber. The result shows that the SiC layer can be subdivided into two parts in the morphologies of SiC grains; their sizes increase and their orientations become order with increasing distance from the fiber center. It is demonstrated that the mount of free carbon in the fiber is responsible for the variation of SiC grains in sizes and morphologies. The analysis of Raman spectra shows that the predominant β-SiC has extensive stacking faults within the crystallites and mixes other polytypes and amorphous SiC into the structure in the fiber.

  12. Multifractal cross-correlation analysis in electricity spot market

    Science.gov (United States)

    Fan, Qingju; Li, Dan

    2015-07-01

    In this paper, we investigate the multiscale cross-correlations between electricity price and trading volume in Czech market based on a newly developed algorithm, called Multifractal Cross-Correlation Analysis (MFCCA). The new algorithm is a natural multifractal generalization of the Detrended Cross-Correlation Analysis (DCCA), and is sensitive to cross-correlation structure and free from limitations of other algorithms. By considering the original sign of the cross-covariance, it allows us to properly quantify and detect the subtle characteristics of two simultaneous recorded time series. First, the multifractality and the long range anti-persistent auto-correlations of price return and trading volume variation are confirmed using Multifractal Detrended Fluctuation Analysis (MF-DFA). Furthermore, we show that there exist long-range anti-persistent cross-correlations between price return and trading volume variation by MFCCA. And we also identify that the cross-correlations disappear on the level of relative small fluctuations. In order to obtain deeper insight into the dynamics of the electricity market, we analyze the relation between generalized Hurst exponent and the multifractal cross-correlation scaling exponent λq. We find that the difference between the generalized Hurst exponent and the multifractal cross-correlation scaling exponent is significantly different for smaller fluctuation, which indicates that the multifractal character of cross-correlations resembles more each other for electricity price and trading volume on the level of large fluctuations and weakens for the smaller ones.

  13. Sensitivity analysis of a sound absorption model with correlated inputs

    Science.gov (United States)

    Chai, W.; Christen, J.-L.; Zine, A.-M.; Ichchou, M.

    2017-04-01

    Sound absorption in porous media is a complex phenomenon, which is usually addressed with homogenized models, depending on macroscopic parameters. Since these parameters emerge from the structure at microscopic scale, they may be correlated. This paper deals with sensitivity analysis methods of a sound absorption model with correlated inputs. Specifically, the Johnson-Champoux-Allard model (JCA) is chosen as the objective model with correlation effects generated by a secondary micro-macro semi-empirical model. To deal with this case, a relatively new sensitivity analysis method Fourier Amplitude Sensitivity Test with Correlation design (FASTC), based on Iman's transform, is taken into application. This method requires a priori information such as variables' marginal distribution functions and their correlation matrix. The results are compared to the Correlation Ratio Method (CRM) for reference and validation. The distribution of the macroscopic variables arising from the microstructure, as well as their correlation matrix are studied. Finally the results of tests shows that the correlation has a very important impact on the results of sensitivity analysis. Assessment of correlation strength among input variables on the sensitivity analysis is also achieved.

  14. Wilson's disease: {sup 31}P and {sup 1}H MR spectroscopy and clinical correlation

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Sanjib; Taly, A.B.; Prashanth, L.K. [National Institute of Mental Health and Neurosciences (NIMHANS), Department of Neurology, Bangalore (India); Ravishankar, S.; Vasudev, M.K. [National Institute of Mental Health and Neurosciences (NIMHANS), Department of Neuroimaging and Interventional Radiology, Bangalore (India)

    2010-11-15

    Proton ({sup 1}H) magnetic resonance spectroscopy (MRS) changes are noted in Wilson's disease (WD). However, there are no studies regarding membrane phospholipid abnormality using {sup 31}P MRS in these patients. We aimed to analyze the striatal spectroscopic abnormalities using {sup 31}P and {sup 1}H MRS in WD. Forty patients of WD (treated, 29; untreated,11) and 30 controls underwent routine MR image sequences and in vivo 2-D {sup 31}P and {sup 1}H MRS of basal ganglia using an image-selected technique on a 1.5-T MRI scanner. Statistical analysis was done using Student's t test. The mean durations of illness and treatment were 6.2 {+-} 7.4 and 4.8 {+-} 5.9 years, respectively. MRI images were abnormal in all the patients. {sup 1}H MRS revealed statistically significant reduction of N-acetyl aspartate (NAA)/choline (Cho) and NAA/creatine ratios in striatum ({sup 1}H MRS) of treated patients compared to controls. The mean values of phosphomonoesters (PME) (p < 0.0001), phosphodiesters (PDE) (p < 0.0001), and total phosphorus (TPh) (p < 0.0001) were elevated in patients compared to controls. Statistically significant elevated levels of ratio of PME/PDE (p = 0.05) observed in the striatum were noted in treated patients as compared to controls in the {sup 31}P MRS study. The duration of illness correlated well with increased PME/PDE [p < 0.001], PME/TPh [p < 0.05], and PDE/TPh [p < 0.05] and decreased NAA/Cho [p < 0.05] ratios. There was correlation of MRI score and reduced NAA/Cho ratio with disease severity. The PME/PDE ratio (right) was elevated in the treated group [p < 0.001] compared to untreated group. There is reduced breakdown and/or increased synthesis of membrane phospholipids and increased neuronal damage in basal ganglia in patients with WD. (orig.)

  15. Artifact-Free and Detection-Profile-Independent Higher-Order Fluorescence Correlation Spectroscopy for Microsecond-Resolved Kinetics. 2. Mixtures and Reactions.

    Science.gov (United States)

    Abdollah-Nia, Farshad; Gelfand, Martin P; Van Orden, Alan

    2017-03-23

    Fluorescence correlation spectroscopy (FCS) is a primary tool in the time-resolved analysis of nonreacting or reacting molecules in solution, based on fluorescence intensity fluctuations. However, conventional FCS alone is insufficient for a complete determination of reaction or mixture parameters. In an accompanying article, a technique for the computation of artifact-free higher-order correlations with microsecond time resolution was described. Here, we demonstrate the applications of the technique to analyze the systems of fast and slow reactions. As an example of non- or slow-reacting systems, the technique is applied to resolve two-component mixtures of labeled oligonucleotides. Next, the protonation reaction of fluorescein isothiocyanate in phosphate buffer is analyzed as an example of fast reactions (relaxation time system, the simple factorized form of cumulant-based higher-order correlations is exploited to remove the dependence on the molecular detection function (MDF). Therefore, there is no need to model and characterize the experimental MDF, and the precision and the accuracy of the technique are enhanced. It is verified that the higher-order correlation analysis enables a complete and simultaneous determination of the number and brightness parameters of mixing or reacting molecules, the reaction relaxation time, and forward and reverse reaction rates.

  16. [Proximate analysis of straw by near infrared spectroscopy (NIRS)].

    Science.gov (United States)

    Huang, Cai-jin; Han, Lu-jia; Liu, Xian; Yang, Zeng-ling

    2009-04-01

    Proximate analysis is one of the routine analysis procedures in utilization of straw for biomass energy use. The present paper studied the applicability of rapid proximate analysis of straw by near infrared spectroscopy (NIRS) technology, in which the authors constructed the first NIRS models to predict volatile matter and fixed carbon contents of straw. NIRS models were developed using Foss 6500 spectrometer with spectra in the range of 1,108-2,492 nm to predict the contents of moisture, ash, volatile matter and fixed carbon in the directly cut straw samples; to predict ash, volatile matter and fixed carbon in the dried milled straw samples. For the models based on directly cut straw samples, the determination coefficient of independent validation (R2v) and standard error of prediction (SEP) were 0.92% and 0.76% for moisture, 0.94% and 0.84% for ash, 0.88% and 0.82% for volatile matter, and 0.75% and 0.65% for fixed carbon, respectively. For the models based on dried milled straw samples, the determination coefficient of independent validation (R2v) and standard error of prediction (SEP) were 0.98% and 0.54% for ash, 0.95% and 0.57% for volatile matter, and 0.78% and 0.61% for fixed carbon, respectively. It was concluded that NIRS models can predict accurately as an alternative analysis method, therefore rapid and simultaneous analysis of multicomponents can be achieved by NIRS technology, decreasing the cost of proximate analysis for straw.

  17. Analysis of bakery products by laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Bilge, Gonca; Boyacı, İsmail Hakkı; Eseller, Kemal Efe; Tamer, Uğur; Çakır, Serhat

    2015-08-15

    In this study, we focused on the detection of Na in bakery products by using laser-induced breakdown spectroscopy (LIBS) as a quick and simple method. LIBS experiments were performed to examine the Na at 589 nm to quantify NaCl. A series of standard bread sample pellets containing various concentrations of NaCl (0.025-3.5%) were used to construct the calibration curves and to determine the detection limits of the measurements. Calibration graphs were drawn to indicate functions of NaCl and Na concentrations, which showed good linearity in the range of 0.025-3.5% NaCl and 0.01-1.4% Na concentrations with correlation coefficients (R(2)) values greater than 0.98 and 0.96. The obtained detection limits for NaCl and Na were 175 and 69 ppm, respectively. Performed experimental studies showed that LIBS is a convenient method for commercial bakery products to quantify NaCl concentrations as a rapid and in situ technique.

  18. Medical Diagnostic Breath Analysis by Cavity Ring Down Spectroscopy

    Science.gov (United States)

    Guss, Joseph S.; Metsälä, Markus; Halonen, Lauri

    2009-06-01

    Certain medical conditions give rise to the presence of chemicals in the bloodstream. These chemicals - known as biomarkers - may also be present in low concentrations in human breath. Cavity ring down spectroscopy possesses the requisite selectivity and sensitivity to detect such biomarkers in the congested spectrum of a breath sample. The ulcer-causing bacterium, Helicobacter pylori, is a prolific producer of the enzyme urease, which catalyses the breakdown of urea ((NH_2)_2CO) in the stomach as follows: (NH_2)_2CO + H_2O ⟶ CO_2 + 2NH_3 Currently, breath tests seeking altered carbon-isotope ratios in exhaled CO_2 after the ingestion of ^{13}C- or ^{14}C-labeled urea are used to diagnose H. pylori infection. We present recent results from an ongoing collaboration with Tampere Area University Hospital. The study involves 100 patients (both infected and uninfected) and concerns the possible correlation between the bacterial infection and breath ammonia. D. Y. Graham, P. D. Klein, D. J. Evans, Jr, D. G. Evans, L. C. Alpert, A. R. Opekun, T. W. Boutton, Lancet 1(8543), 1174-7 March 1987.

  19. In vivo preclinical verification of a multimodal diffuse reflectance and correlation spectroscopy system for sensing tissue perfusion

    Science.gov (United States)

    Pakela, Julia M.; Lee, Seung Yup; Hedrick, Taylor L.; Vishwanath, Karthik; Helton, Michael C.; Chung, Yooree G.; Kolodziejski, Noah J.; Staples, Christopher J.; McAdams, Daniel R.; Fernandez, Daniel E.; Christian, James F.; O'Reilly, Jameson; Farkas, Dana; Ward, Brent B.; Feinberg, Stephen E.; Mycek, Mary-Ann

    2017-02-01

    In reconstructive surgery, impeded blood flow in microvascular free flaps due to a compromise in arterial or venous patency secondary to blood clots or vessel spasms can rapidly result in flap failures. Thus, the ability to detect changes in microvascular free flaps is critical. In this paper, we report progress on in vivo pre-clinical testing of a compact, multimodal, fiber-based diffuse correlation and reflectance spectroscopy system designed to quantitatively monitor tissue perfusion in a porcine model's surgically-grafted free flap. We also describe the device's sensitivity to incremental blood flow changes and discuss the prospects for continuous perfusion monitoring in future clinical translational studies.

  20. Firmware lower-level discrimination and compression applied to streaming x-ray photon correlation spectroscopy area-detector data

    Science.gov (United States)

    Madden, T.; Fernandez, P.; Jemian, P.; Narayanan, S.; Sandy, A. R.; Sikorski, M.; Sprung, M.; Weizeorick, J.

    2011-07-01

    We present a data acquisition system to perform on-the-fly background subtraction and lower-level discrimination compression of streaming x-ray photon correlation spectroscopy data from a fast charge-coupled device (CCD) area detector. The system is built using a commercial frame grabber with an on-board field-programmable gate array. The system is capable of continuously processing at least 60 CCD frames per second each consisting of 1024 × 1024 16-bit pixels with ≲ 15 000 photon hits per frame at a maximum compression factor of ≈95%.

  1. Binding of human serum albumin to PEGylated liposomes: insights into binding numbers and dynamics by fluorescence correlation spectroscopy

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Urquhart, Andrew; Thormann, Esben

    2016-01-01

    understood. For example, there is generally a lack of knowledge about the liposome binding affinities and dynamics of common types of blood plasma proteins. Fluorescence correlation spectroscopy (FCS) is a powerful experimental technique that potentially can provide such knowledge. In this study, we have...... used FCS to investigate the binding of human serum albumin (HSA) to standard types of PEGylated fluid-phase liposomes (consisting of DOPC and DOPE-PEG2k) and PEGylated gel-phase liposomes (consisting of DSPC and DSPE-PEG2k) with various PEG chain surface densities. We detected no significant binding...

  2. Analysis of the Effect of Moisture on Soil Spectra Detection by Using Two-Dimensional Correlation Near Infrared Spectroscopy%水分对土壤近红外光谱检测影响的二维相关光谱解析

    Institute of Scientific and Technical Information of China (English)

    宋海燕; 程旭

    2014-01-01

    为了能进一步分析水分对土壤近红外光谱检测的影响,分别从三个地方(桃园堡、牧场和农大示范田)采集了三种土壤,经过筛、烘干后分别配制了含水率为20%,15%和10%的土壤,然后采用ASD公司的FieldSpec3光谱仪在保证其他检测条件不变的情况下,对不同含水率下不同采集地的土壤进行了检测,获得了其不同含水率下的动态光谱图。最后视水分为外部干扰,应用二维相关光谱的理论对其进行了分析。结果表明,在350~2500 nm波段范围内,三个不同采集地土壤的同步二维相关光谱图比较类似,都在2210和1929 nm附近处出现较强的自动峰,在1415 nm附近处有较弱的自动峰;从三处自相关峰的密集程度来看,1929 nm处对应的官能团对水分最敏感,2210 nm处次之,1415 nm处最不敏感。该研究明确找出了水分对土壤近红外光谱检测影响的敏感波段和敏感程度,为今后消除水分影响建立抗水分干扰模型提供了依据。%In order to analyze the effects of moisture on soil spectra detection ,soil samples from three different places (Taoyuan-bao ,Muchang ,and Shanxi agricultural university) were collected .All soil samples were sieved ,dried and prepared with differ-ent water content (20% ,15% and 10% ) .The spectra of soil samples with different water content were collected by ASD Field-Spec3 .Finally ,moisture was looked as the the external disturbance ,and two-dimensional correlation near-infrared spectroscopy (2D-NIR) technique was applied to analyze the effect of moisture on soil spectra detection .2D-NIR analysis was realized by using shige software (2Dshige shigeaki Morita ,Kwansei-Gakuin University ) .The results showed that ,the sensitive bands of moisture in 2D-NIR spectra were more obvious than one-dimensional spectra .In the region 350~2 500 nm ,the synchronous spectra of soil samples from different places were similar .Two

  3. Quantitative analysis of Cu and Co adsorbed on fish bones via laser-induced breakdown spectroscopy

    Science.gov (United States)

    Rezk, R. A.; Galmed, A. H.; Abdelkreem, M.; Ghany, N. A. Abdel; Harith, M. A.

    2016-09-01

    In the present work, laser-induced breakdown spectroscopy (LIBS) has been applied for qualitative and quantitative analysis of heavy metals adsorbed by fish bones. Fish bones were used as a natural and low cost heavy metal sorbent (mainly Cu and Co) from synthetic wastewater. The removal efficiency of the adsorbent was studied as a function of initial metal concentration and pH value. Optimal experimental conditions were evaluated for improving the sensitivity of LIBS technique through parametric dependence studies. Furthermore, calibration curves were constructed based on X-ray fluorescence (XRF) analysis technique, whereas, the limits of detection (LOD) for Cu and Co were calculated. The results were validated by comparing LIBS data with those obtained by XRF spectrometry. The results of the two techniques are strongly correlated which verified the feasibility of using LIBS to detect traces of heavy metals adsorbed from wastewater by fish bones. This study reflects the potential of using LIBS in environmental applications.

  4. Correlation and principal component analysis in ceramic tiles characterization

    Directory of Open Access Journals (Sweden)

    Podunavac-Kuzmanović Sanja O.

    2015-01-01

    Full Text Available The present study deals with the analysis of the characteristics of ceramic wall and floor tiles on the basis of their quality parameters: breaking force, flexural strenght, absorption and shrinking. Principal component analysis was applied in order to detect potential similarities and dissimilarities among the analyzed tile samples, as well as the firing regimes. Correlation analysis was applied in order to find correlations among the studied quality parameters of the tiles. The obtained results indicate particular differences between the samples on the basis of the firing regimes. However, the correlation analysis points out that there is no statistically significant correlation among the quality parameters of the studied samples of the wall and floor ceramic tiles.[Projekat Ministarstva nauke Republike Srbije, br. 172012 i br. III 45008

  5. [Study of the effect of temperature on the conformation of ovotransferrin by two-dimensional infrared correlation spectroscopy].

    Science.gov (United States)

    Ren, Guo-Dong; Guo, Ai-Ling; Geng, Fang; Ma, Mei-Hu; Huang, Qun; Wu, Xiao-Fen

    2012-07-01

    The conformation changes of Apo-Ovotransferrin and Holo-Ovotransferrin were studied with the heat treatment 25-95 degrees C by using Fourier transform infrared spectroscopy (FTIR) and two-dimensional correlation spectroscopy analyzer. The results of one-dimensional infrared spectroscopy showed that with the increase in temperature, the peak at 3 300 cm(-1) of Apo-Ovo-transferrin shifted more than that of Holo-Ovotransferrin. The peak at 3 300 cm(-1) derived from stretching vibrations of N-H and O-H indicates that iron-binding enhanced the role of hydrogen bonds and resistance to heat. The changing order of the secondary structure of ovotransferrin was determined by analyzing two-dimensional infrared spectra,witch is beta-sheet>amide II >-CH2 - bending vibration. In addition, it was found that the cross-peaks at 1 652 and 1 688 cm(-1) are different in synchronous and asynchronous counter maps by comparing Apo-Ovotransferrin with Holo-Ovotransferrin. It was suggested that the temperature made less impact on the alpha-helix in Holo-Ovotransferrin than on that in Apo-Ovotransferrin, however, the beta-turn in Holo-Ovotransferrin was more sensitive to temperature.

  6. Medulloblastoma: correlation among findings of conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fonte, Mariana Vieira de Melo da; Otaduy, Maria Concepcion Garcia; Lucato, Leandro Tavares; Reed, Umbertina Conti; Leite, Claudia da Costa [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Hospital das Clinicas. Inst. de Radiologia]. E-mail: mvmfonte@uol.com.br; Costa, Maria Olivia Rodrigues; Amaral, Raquel Portugal Guimaraes [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Faculdade de Medicina. Dept. de Radiologia; Reed, Umbertina Conti [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Faculdade de Medicina. Dept. de Neurologia; Rosemberg, Sergio [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Hospital das Clinicas. Dept. de Patologia

    2008-11-15

    To correlate imaging findings of medulloblastomas at conventional magnetic resonance imaging, diffusion-weighted imaging and proton magnetic resonance spectroscopy, comparing them with data in the literature. Preoperative magnetic resonance imaging studies of nine pediatric patients with histologically confirmed medulloblastomas (eight desmoplastic medulloblastoma, and one giant cell medulloblastoma) were retrospectively reviewed, considering demographics as well as tumors characteristics such as localization, morphology, signal intensity, contrast-enhancement, dissemination, and diffusion-weighted imaging and spectroscopy findings. In most of cases the tumors were centered in the cerebellar vermis (77.8%), predominantly solid (88.9%), hypointense on T 1-weighted images and intermediate/hyperintense on T 2-FLAIR-weighted images, with heterogeneous enhancement (100%), tumor dissemination/extension (77.8%) and limited water molecule mobility (100%). Proton spectroscopy acquired with STEAM technique (n = 6) demonstrated decreased Na a / Cr ratio (83.3%) and increased Co/Cr (100%) and ml/Cr (66.7%) ratios; and with PRESS technique (n = 7) demonstrated lactate peak (57.1%). Macroscopic magnetic resonance imaging findings in association with biochemical features of medulloblastomas have been useful in the differentiation among the most frequent posterior fossa tumors. (author)

  7. Characterization of a Continuous Wave Laser for Resonance Ionization Mass Spectroscopy Analysis in Nuclear Forensics

    Science.gov (United States)

    2015-06-01

    OF A CONTINUOUS WAVE LASER FOR RESONANCE IONIZATION MASS SPECTROSCOPY ANALYSIS IN NUCLEAR FORENSICS by Sunny G. Lau June 2015 Thesis...IONIZATION MASS SPECTROSCOPY ANALYSIS IN NUCLEAR FORENSICS 5. FUNDING NUMBERS 6. AUTHOR(S) Sunny G. Lau 7. PERFORMING ORGANIZATION NAME(S) AND...200 words) The application of resonance ionization mass spectroscopy (RIMS) to nuclear forensics involves the use of lasers to selectively ionize

  8. On the correlation analysis of electric field inside jet engine

    OpenAIRE

    A Krishna; Khattab, T.; Abdelaziz, A.F.; Guizani, M.

    2014-01-01

    A Simple channel modeling method based on correlation analysis of the electric field inside jet engine is presented. The analysis of the statistical propagation characteristics of electromagnetic field inside harsh jet engine environment is presented by using `Ansys® HFSS'. In this paper, we propose a method to locate the best position for receiving probes inside jet engine with minimum correlation between the receiver points which have strong average electric field. Moreover, a MIMO system c...

  9. Fluorescence correlation spectroscopy of CdSe/ZnS quantum dot optical bioimaging probes with ultra-thin biocompatible coatings.

    Science.gov (United States)

    Murcia, Michael J; Shaw, David L; Long, Eric C; Naumann, Christoph A

    2008-04-01

    The current study reports on the colloidal stabilities and emission properties of CdSe/ZnS quantum dot (QD) optical probes capped with a variety of thin, hydrophilic surface coatings as studied using confocal fluorescence correlation spectroscopy. These coatings are based on mercaptoethanol, mercaptopropionic acid (with and without conjugated aminoethoxyethanol), lipopolymers (DSPE-PEG2000), cysteine (Cys), and a variety of Xaa-Cys dipeptides. The study shows that several types of QDs with thin hydrophilic coatings can be designed that combine good colloidal stability and excellent emission properties (brightness). Furthermore, there is a general correlation between colloidal stability and brightness. The experiments reported herein illustrate that QDs with multiple types of thin coatings can be created for optical imaging applications in a biological environment while also maintaining a size below 10 nm.

  10. Si-29 NMR spectroscopy of naturally-shocked quartz from Meteor Crater, Arizona: Correlation to Kieffer's classification scheme

    Science.gov (United States)

    Boslough, M. B.; Cygan, R. T.; Kirkpatrick, R. J.

    1993-01-01

    We have applied solid state Si-29 nuclear magnetic resonance (NMR) spectroscopy to five naturally-shocked Coconino Sandstone samples from Meteor Crater, Arizona, with the goal of examining possible correlations between NMR spectral characteristics and shock level. This work follows our observation of a strong correlation between the width of a Si-29 resonance and peak shock pressure for experimentally shocked quartz powders. The peak width increase is due to the shock-induced formation of amorphous silica, which increases as a function of shock pressure over the range that we studied (7.5 to 22 GPa). The Coconino Sandstone spectra are in excellent agreement with the classification scheme of Kieffer in terms of presence and approximate abundances of quartz, coesite, stishovite, and glass. We also observe a new resonance in two moderately shocked samples that we have tentatively identified with silicon in tetrahedra with one hydroxyl group in a densified form of amorphous silica.

  11. A novel rapid quantitative analysis of drug migration on tablets using laser induced breakdown spectroscopy.

    Science.gov (United States)

    Yokoyama, Makoto; Tourigny, Martine; Moroshima, Kenji; Suzuki, Junsuke; Sakai, Miyako; Iwamoto, Kiyoshi; Takeuchi, Hirofumi

    2010-11-01

    There have been few reports wherein drug migration from the interior to the surface of a tablet has been analyzed quantitatively until now. In this paper, we propose a novel, rapid, quantitative analysis of drug migration in tablets using laser induced breakdown spectroscopy (LIBS). To evaluate drug migration, model tablets containing nicardipine hydrochloride as active pharmaceutical ingredient (API) were prepared by a conventional wet granulation method. Since the color of this API is pale yellow and all excipients are white, we can observe the degree of drug migration by visual inspection in these model tablets. In order to prepare tablets with different degrees of drug migration, the temperature of the drying process after tableting was varied between 50 to 80 °C. Using these manifold tablets, visual inspection, Fourier transform (FT)-IR mapping and LIBS analysis were carried out to evaluate the drug migration in the tablets. While drug migration could be observed using all methods, only LIBS analysis could provide quantitative analysis wherein the average LIBS intensity was correlated with the degree of drug migration obtained from the drying temperature. Moreover, in this work, we compared the sample preparation, data analysis process and measurement time for visual inspection, FT-IR mapping and LIBS analysis. The results of the comparison between these methods demonstrated that LIBS analysis is the simplest and the fastest method for migration monitoring. From the results obtained, we conclude that LIBS analysis is one of most useful process analytical technology (PAT) tools to solve the universal migration problem.

  12. Two-dimensional correlation spectroscopy (2D-COS) variable selection for near-infrared microscopy discrimination of meat and bone meal in compound feed.

    Science.gov (United States)

    Lü, Chengxu; Chen, Longjian; Yang, Zengling; Liu, Xian; Han, Lujia

    2014-01-01

    This article presents a novel method for combining auto-peak and cross-peak information for sensitive variable selection in synchronous two-dimensional correlation spectroscopy (2D-COS). This variable selection method is then applied to the case of near-infrared (NIR) microscopy discrimination of meat and bone meal (MBM). This is of important practical value because MBM is currently banned in ruminate animal compound feed. For the 2D-COS analysis, a set of NIR spectroscopy data of compound feed samples (adulterated with varying concentrations of MBM) was pretreated using standard normal variate and detrending (SNVD) and then mapped to the 2D-COS synchronous matrix. For the auto-peak analysis, 12 main sensitive variables were identified at 6852, 6388, 6320, 5788, 5600, 5244, 4900, 4768, 4572, 4336, 4256, and 4192 cm(-1). All these variables were assigned their specific spectral structure and chemical component. For the cross-peak analysis, these variables were divided into two groups, each group containing the six sensitive variables. This grouping resulted in a correlation between the spectral variables that was in accordance with the chemical-component content of the MBM and compound feed. These sensitive variables were then used to build a NIR microscopy discrimination model, which yielded a 97% correct classification. Moreover, this method detected the presence of MBM when its concentration was less than 1% in an adulterated compound feed sample. The concentration-dependent 2D-COS-based variable selection method developed in this study has the unique advantages of (1) introducing an interpretive aspect into variable selection, (2) substantially reducing the complexity of the computations, (3) enabling the transferability of the results to discriminant analysis, and (4) enabling the efficient compression of spectral data.

  13. Multiscale Detrended Cross-Correlation Analysis of STOCK Markets

    Science.gov (United States)

    Yin, Yi; Shang, Pengjian

    2014-06-01

    In this paper, we employ the detrended cross-correlation analysis (DCCA) to investigate the cross-correlations between different stock markets. We report the results of cross-correlated behaviors in US, Chinese and European stock markets in period 1997-2012 by using DCCA method. The DCCA shows the cross-correlated behaviors of intra-regional and inter-regional stock markets in the short and long term which display the similarities and differences of cross-correlated behaviors simply and roughly and the persistence of cross-correlated behaviors of fluctuations. Then, because of the limitation and inapplicability of DCCA method, we propose multiscale detrended cross-correlation analysis (MSDCCA) method to avoid "a priori" selecting the ranges of scales over which two coefficients of the classical DCCA method are identified, and employ MSDCCA to reanalyze these cross-correlations to exhibit some important details such as the existence and position of minimum, maximum and bimodal distribution which are lost if the scale structure is described by two coefficients only and essential differences and similarities in the scale structures of cross-correlation of intra-regional and inter-regional markets. More statistical characteristics of cross-correlation obtained by MSDCCA method help us to understand how two different stock markets influence each other and to analyze the influence from thus two inter-regional markets on the cross-correlation in detail, thus we get a richer and more detailed knowledge of the complex evolutions of dynamics of the cross-correlations between stock markets. The application of MSDCCA is important to promote our understanding of the internal mechanisms and structures of financial markets and helps to forecast the stock indices based on our current results demonstrated the cross-correlations between stock indices. We also discuss the MSDCCA methods of secant rolling window with different sizes and, lastly, provide some relevant implications and

  14. Model independent analysis of nearly L\\'evy correlations

    CERN Document Server

    Novák, T; Eggers, H C; de Kock, M

    2016-01-01

    A model-independent method for the analysis of the two-particle short-range correlations is presented, that can be utilized to describe e.g. Bose-Einstein (HBT), dynamical (ridge) or other correlation functions, that have a nearly L\\'evy or streched exponential shape. For the special case of L\\'evy exponent alpha = 1, the earlier Laguerre expansions are recovered, for the alpha = 2 special case, a new expansion method is obtained for nearly Gaussian correlation functions. Multi-dimensional L\\'evy expansions are also introduced and their potential application to analyze rigde correlation data is discussed.

  15. Synchronous fluorescence spectroscopy for analysis of wine and wine distillates

    Science.gov (United States)

    Andreeva, Ya.; Borisova, E.; Genova, Ts.; Zhelyazkova, Al.; Avramov, L.

    2015-01-01

    Wine and brandies are multicomponent systems and conventional fluorescence techniques, relying on recording of single emission or excitation spectra, are often insufficient. In such cases synchronous fluorescence spectra can be used for revealing the potential of the fluorescence techniques. The technique is based on simultaneously scanning of the excitation and emission wavelength with constant difference (Δλ) maintained between them. In this study the measurements were made using FluoroLog3 spectrofluorimeter (HORIBA Jobin Yvon, France) and collected for excitation and emission in the wavelength region 220 - 700 nm using wavelength interval Δλ from 10 to 100 nm in 10 nm steps. This research includes the results obtained for brandy and red wine samples. Fluorescence analysis takes advantage in the presence of natural fluorophores in wines and brandies, such as gallic, vanillic, p-coumaric, syringic, ferulic acid, umbelliferone, scopoletin and etc. Applying of synchronous fluorescence spectroscopy for analysis of these types of alcohols allows us to estimate the quality of wines and also to detect adulteration of brandies like adding of a caramel to wine distillates for imitating the quality of the original product aged in oak casks.

  16. Independent component analysis classification of laser induced breakdown spectroscopy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Forni, Olivier, E-mail: olivier.forni@irap.omp.eu [Université de Toulouse, UPS-OMP, Institut de Recherche en Astrophysiqe et Planétologie, Toulouse (France); CNRS, IRAP, 9, av. Colonel Roche, BP 44346, F-31028 Cedex 4, Toulouse (France); Maurice, Sylvestre, E-mail: sylvestre.maurice@irap.omp.eu [Université de Toulouse, UPS-OMP, Institut de Recherche en Astrophysiqe et Planétologie, Toulouse (France); CNRS, IRAP, 9, av. Colonel Roche, BP 44346, F-31028 Cedex 4, Toulouse (France); Gasnault, Olivier, E-mail: olivier.gasnault@irap.omp.eu [Université de Toulouse, UPS-OMP, Institut de Recherche en Astrophysiqe et Planétologie, Toulouse (France); CNRS, IRAP, 9, av. Colonel Roche, BP 44346, F-31028 Cedex 4, Toulouse (France); Wiens, Roger C., E-mail: rwiens@lanl.gov [Space Remote Sensing, Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Cousin, Agnès, E-mail: acousin@lanl.gov [Université de Toulouse, UPS-OMP, Institut de Recherche en Astrophysiqe et Planétologie, Toulouse (France); CNRS, IRAP, 9, av. Colonel Roche, BP 44346, F-31028 Cedex 4, Toulouse (France); Chemical Division, Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Clegg, Samuel M., E-mail: sclegg@lanl.gov [Chemical Division, Los Alamos National Laboratory, Los Alamos, NM 87544 (United States); Sirven, Jean-Baptiste, E-mail: jean-baptiste.sirven@cea.f [CEA Saclay, DEN/DPC/SCP, 91191 Cedex, Gif sur Yvette (France); Lasue, Jérémie, E-mail: jeremie.lasue@irap.omp.eu [Université de Toulouse, UPS-OMP, Institut de Recherche en Astrophysiqe et Planétologie, Toulouse (France); CNRS, IRAP, 9, av. Colonel Roche, BP 44346, F-31028 Cedex 4, Toulouse (France)

    2013-08-01

    The ChemCam instrument on board Mars Science Laboratory (MSL) rover uses the laser-induced breakdown spectroscopy (LIBS) technique to remotely analyze Martian rocks. It retrieves spectra up to a distance of seven meters to quantify and to quantitatively analyze the sampled rocks. Like any field application, on-site measurements by LIBS are altered by diverse matrix effects which induce signal variations that are specific to the nature of the sample. Qualitative aspects remain to be studied, particularly LIBS sample identification to determine which samples are of interest for further analysis by ChemCam and other rover instruments. This can be performed with the help of different chemometric methods that model the spectra variance in order to identify a the rock from its spectrum. In this paper we test independent components analysis (ICA) rock classification by remote LIBS. We show that using measures of distance in ICA space, namely the Manhattan and the Mahalanobis distance, we can efficiently classify spectra of an unknown rock. The Mahalanobis distance gives overall better performances and is easier to manage than the Manhattan distance for which the determination of the cut-off distance is not easy. However these two techniques are complementary and their analytical performances will improve with time during MSL operations as the quantity of available Martian spectra will grow. The analysis accuracy and performances will benefit from a combination of the two approaches. - Highlights: • We use a novel independent component analysis method to classify LIBS spectra. • We demonstrate the usefulness of ICA. • We report the performances of the ICA classification. • We compare it to other classical classification schemes.

  17. Optical Spectroscopy of Strongly Correlated (MOTT-HUBBARD, Heavy-Fermion, Unconventional Superconductor) Materials Tuned Pressure

    Energy Technology Data Exchange (ETDEWEB)

    Goncharov, A; Struzhkin, V V

    2003-11-12

    During the past years, the Co-PI's have been responsible for the development and operation of optical techniques (Raman, IR, fluorescence, absorption and reflectance spectroscopy at ultrahigh pressures and high and low temperatures) which have proven to be extremely powerful for studying low-Z, molecular solids including hydrogen, ice, etc. (see results below). Meanwhile, it has become increasingly clear that optical spectroscopy has an equally extraordinary potential for studying metals and superconductors at ultrahigh pressures, thus the result will have a major impact on material research. However, because of the extreme difference in optical properties of opaque metals and transparent insulating molecular solids, successful accomplishment of the present project will require substantial effort in improving the present equipment and developing new techniques, and funds for this are requested here. Below we provide a short description of the work done and techniques developed during the last years. We also propose to explore new frontiers in compressed materials close to the insulator-metal boundaries, spin-crossover, and other quantum critical points.

  18. Neuronal Correlates of Cognitive Control during Gaming Revealed by Near-Infrared Spectroscopy.

    Science.gov (United States)

    Witte, Matthias; Ninaus, Manuel; Kober, Silvia Erika; Neuper, Christa; Wood, Guilherme

    2015-01-01

    In everyday life we quickly build and maintain associations between stimuli and behavioral responses. This is governed by rules of varying complexity and past studies have identified an underlying fronto-parietal network involved in cognitive control processes. However, there is only limited knowledge about the neuronal activations during more natural settings like game playing. We thus assessed whether near-infrared spectroscopy recordings can reflect different demands on cognitive control during a simple game playing task. Sixteen healthy participants had to catch falling objects by pressing computer keys. These objects either fell randomly (RANDOM task), according to a known stimulus-response mapping applied by players (APPLY task) or according to a stimulus-response mapping that had to be learned (LEARN task). We found an increased change of oxygenated and deoxygenated hemoglobin during LEARN covering broad areas over right frontal, central and parietal cortex. Opposed to this, hemoglobin changes were less pronounced for RANDOM and APPLY. Along with the findings that fewer objects were caught during LEARN but stimulus-response mappings were successfully identified, we attribute the higher activations to an increased cognitive load when extracting an unknown mapping. This study therefore demonstrates a neuronal marker of cognitive control during gaming revealed by near-infrared spectroscopy recordings.

  19. Neuronal Correlates of Cognitive Control during Gaming Revealed by Near-Infrared Spectroscopy.

    Directory of Open Access Journals (Sweden)

    Matthias Witte

    Full Text Available In everyday life we quickly build and maintain associations between stimuli and behavioral responses. This is governed by rules of varying complexity and past studies have identified an underlying fronto-parietal network involved in cognitive control processes. However, there is only limited knowledge about the neuronal activations during more natural settings like game playing. We thus assessed whether near-infrared spectroscopy recordings can reflect different demands on cognitive control during a simple game playing task. Sixteen healthy participants had to catch falling objects by pressing computer keys. These objects either fell randomly (RANDOM task, according to a known stimulus-response mapping applied by players (APPLY task or according to a stimulus-response mapping that had to be learned (LEARN task. We found an increased change of oxygenated and deoxygenated hemoglobin during LEARN covering broad areas over right frontal, central and parietal cortex. Opposed to this, hemoglobin changes were less pronounced for RANDOM and APPLY. Along with the findings that fewer objects were caught during LEARN but stimulus-response mappings were successfully identified, we attribute the higher activations to an increased cognitive load when extracting an unknown mapping. This study therefore demonstrates a neuronal marker of cognitive control during gaming revealed by near-infrared spectroscopy recordings.

  20. Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts.

    Science.gov (United States)

    Peppernick, Samuel J; Gunaratne, K D Dasitha; Castleman, A W

    2010-01-19

    Detailed in the present investigation are results pertaining to the photoelectron spectroscopy of negatively charged atomic ions and their isoelectronic molecular counterparts. Experiments utilizing the photoelectron imaging technique are performed on the negative ions of the group 10 noble metal block (i.e. Ni-, Pd-, and Pt-) of the periodic table at a photon energy of 2.33 eV (532 nm). The accessible electronic transitions, term energies, and orbital angular momentum components of the bound electronic states in the atom are then compared with photoelectron images collected for isoelectronic early transition metal heterogeneous diatomic molecules, M-X- (M = Ti,Zr,W; X = O or C). A superposition principle connecting the spectroscopy between the atomic and molecular species is observed, wherein the electronic structure of the diatomic is observed to mimic that present in the isoelectronic atom. The molecular ions studied in this work, TiO-, ZrO-, and WC- can then be interpreted as possessing superatomic electronic structures reminiscent of the isoelectronic elements appearing on the periodic table, thereby quantifying the superatom concept.

  1. Linear analysis of degree correlations in complex networks

    Indian Academy of Sciences (India)

    JU XIANG; TAO HU; YAN ZHANG; KE HU; YAN-NI TANG; YUAN-YUAN GAO; KE DENG

    2016-12-01

    Many real-world networks such as the protein–protein interaction networks and metabolic networks often display nontrivial correlations between degrees of vertices connected by edges. Here, we analyse the statistical methods used usually to describe the degree correlation in the networks, and analytically give linear relation in the degree correlation. It provides a simple and interesting perspective on the analysis of the degree correlation in networks, which is usefully complementary to the existing methods for degree correlation in networks. Especially, the slope in the linear relation corresponds exactly to the degree correlation coefficient in networks, meaning that it can not only characterize the level of degree correlation in networks, but also reflects the speed that the average nearest neighbours’ degree varies with the vertex degree. Finally, we applied our results to several real-world networks, validating the conclusions of the linear analysis of degree correlation. We hope that the work in this paper can be helpful for further understanding the degree correlation in complex networks.

  2. Analysis and perturbation of degree correlation in complex networks

    CERN Document Server

    Xiang, Ju; Hu, Tao; Zhang, Yan

    2015-01-01

    Degree correlation is an important topological property common to many real-world networks. In this paper, the statistical measures for characterizing the degree correlation in networks are investigated analytically. We give an exact proof of the consistency for the statistical measures, reveal the general linear relation in the degree correlation, which provide a simple and interesting perspective on the analysis of the degree correlation in complex networks. By using the general linear analysis, we investigate the perturbation of the degree correlation in complex networks caused by the addition of few nodes and the rich club. The results show that the assortativity of homogeneous networks such as the ER graphs is easily to be affected strongly by the simple structural changes, while it has only slight variation for heterogeneous networks with broad degree distribution such as the scale-free networks. Clearly, the homogeneous networks are more sensitive for the perturbation than the heterogeneous networks.

  3. Meta-Analysis of Correlations Among Usability Measures

    DEFF Research Database (Denmark)

    Hornbæk, Kasper Anders Søren; Effie Lai Chong, Law

    2007-01-01

    are generally low: effectiveness measures (e.g., errors) and efficiency measures (e.g., time) has a correlation of .247 ± .059 (Pearson's product-moment correlation with 95% confidence interval), efficiency and satisfaction (e.g., preference) one of .196 ± .064, and effectiveness and satisfaction one of .164......Understanding the relation between usability measures seems crucial to deepen our conception of usability and to select the right measures for usability studies. We present a meta-analysis of correlations among usability measures calculated from the raw data of 73 studies. Correlations...... ± .062. Changes in task complexity do not influence these correlations, but use of more complex measures attenuates them. Standard questionnaires for measuring satisfaction appear more reliable than homegrown ones. Measures of users' perceptions of phenomena are generally not correlated with objective...

  4. Correlated electronic states of SrVO{sub 3} revealed by angle-resolved photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, T. [Graduate School of Human and Environmental Studies, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan); Kobayashi, M. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Yoshimatsu, K. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan); Kumigashira, H. [KEK, Photon Factory, Tsukuba 305-0801, Ibaraki (Japan); Fujimori, A. [Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan)

    2016-04-15

    In this article, we review recent progress in angle-resolved photoemission (ARPES) studies of the Mott-Hubbard-type correlated electron systems SrVO{sub 3}. It has the d{sup 1} electron configuration and is an ideal model compound to study electron correlation effects in normal metal. ARPES studies of bulk single-crystal SrVO{sub 3} and CaVO{sub 3} have revealed the difference in the mass renormalization of electrons between them. In-situ ARPES studies of thin films fabricated by the pulsed laser deposition method have clarified not only quasi-particle dispersions, which show a kink like high-T{sub c} cuprates, but also finite dispersions in the incoherent part. Self-energy in a wide energy range has been deduced from the ARPES spectral weight using Kramers–Kronig transformation. The obtained self-energy has several structures which yield the incoherent feature and a pseudogap-like dip similar to the high-T{sub c} cuprates. Quantum-well states in ultrathin films of SrVO{sub 3} have revealed sub-bands with correlated electrons. These findings of electron correlation effects outlined in the present article would provide a starting point not only for fundamental condensed-matter physics but also for the development of new devices with correlated electrons.

  5. [Electroencephalogram Feature Selection Based on Correlation Coefficient Analysis].

    Science.gov (United States)

    Zhou, Jinzhi; Tang, Xiaofang

    2015-08-01

    In order to improve the accuracy of classification with small amount of motor imagery training data on the development of brain-computer interface (BCD systems, we proposed an analyzing method to automatically select the characteristic parameters based on correlation coefficient analysis. Throughout the five sample data of dataset IV a from 2005 BCI Competition, we utilized short-time Fourier transform (STFT) and correlation coefficient calculation to reduce the number of primitive electroencephalogram dimension, then introduced feature extraction based on common spatial pattern (CSP) and classified by linear discriminant analysis (LDA). Simulation results showed that the average rate of classification accuracy could be improved by using correlation coefficient feature selection method than those without using this algorithm. Comparing with support vector machine (SVM) optimization features algorithm, the correlation coefficient analysis can lead better selection parameters to improve the accuracy of classification.

  6. Exceptionally strong correlation-driven charge migration and attosecond transient absorption spectroscopy

    CERN Document Server

    Hollstein, Maximilian; Pfannkuche, Daniela

    2016-01-01

    We investigate theoretically charge migration following prompt double ionization of a polyatomic molecule (C$_2$H$_4$BrI) and find that for double ionization, correlation-driven charge migration appears to be particularly prominent, i.e., we observe exceptionally rich dynamics solely driven by the electron-electron interaction even in the situation when the electrons are emitted from outer-valence orbitals. These strongly correlated electron dynamics are witnessed in the theoretically determined time-resolved transient absorption cross section. Strikingly, features in the cross section can be traced back to electron hole populations and time-dependent partial charges and hence, can be interpreted with surprising ease. Remarkably, by taking advantage of element specific core-to-valence transitions, the hole population dynamics can be followed both in time and space. With this, not only do we report the high relevance of correlation-driven charge migration following double ionization but our findings also highl...

  7. [Authentication and adulteration analysis of sesame oil by FTIR spectroscopy].

    Science.gov (United States)

    Ding, Qing-Zhen; Liu, Ling-Ling; Wu, Yan-Wen; Li, Bing-Ning; Ouyang, Jie

    2014-10-01

    It's common in edible oil market that adulterating low price oils in high price oils. Sesame oil was often adulterated because of its high quality and price, so the authentication and adulteration of sesame oil were qualitatively and quantitatively analyzed by Fourier transform infrared (FTIR) spectroscopy combined with chemometrics. Firstly, FTIR spectra of sesame oil, soybean oil, and sunflower seed oil in 4,000-650 cm(-1) were analyzed. It was very difficult to detect the difference among the spectra of above edible oils, because they are all mixtures of triglyceride fatty acids and have similar spectra. However, the FTIR data of edible oils in the fingerprint region of 1,800-650 cm(-1) differed slightly because their fatty acid compositions are different, so the data could be classified and recognized by chemometric methods. The authenticity model of sesame oil was built by principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). The recognition rate was 100%, and the built model was satisfactory. The classification limits of both soybean oil and sunflower seed oil adulterated in sesame oil were 10%, with the chemometric treatments of standard normal variation (SNV), partial least square (PLS) and PCA. In addition, the FTIR data processed by PCA and PLS were used to establish an analysis model of binary system of sesame oil mixed with soybean oil or sunflower oil, the prediction values had good corresponding relationship with true values, and the relative errors of prediction were between -6.87% and 8.07%, which means the quantitative model was practical. This method is very convenient and rapid after the models have been built, and can be used for rapid detection of authenticity and adulteration of sesame oil. The method is also practical and suitable for the daily analysis of large amount of samples.

  8. DEFECTS IN CDS - IN DETECTED BY PERTURBED ANGULAR-CORRELATION SPECTROSCOPY (PAC)

    NARCIS (Netherlands)

    MAGERLE, R; DEICHER, M; DESNICA, U; KELLER, R; PFEIFFER, W; PLEITER, F; SKUDLIK, H; WICHERT, T

    1991-01-01

    The local lattice environment of the donor In in CdS is investigated measuring the electric-field gradient at the site of the radioactive probe atom In-111 by the perturbed gamma-gamma angular correlation technique. It is shown that implantation of In into CdS with subsequent annealing drives 100% o

  9. Development of a Novel Optical Spectroscopy Tool for Studies of Coulomb Correlations in Semiconductors

    Science.gov (United States)

    2012-06-18

    statistics in semiconductor heterostructures such as QWs and quantum wires as well as other systems such as molecular aggregates and photosynthesis ...contributions to different resonances in the linear absorption spectrum. These states mostly confined to regions where QW thickness supports the respective...fact that the linear absorption spectrum demonstrates split resonances when the correlation radius of the spatial inhomogeneities exceeds the special

  10. Scanning angle Raman spectroscopy: Investigation of Raman scatter enhancement techniques for chemical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Matthew W. [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis outlines advancements in Raman scatter enhancement techniques by applying evanescent fields, standing-waves (waveguides) and surface enhancements to increase the generated mean square electric field, which is directly related to the intensity of Raman scattering. These techniques are accomplished by employing scanning angle Raman spectroscopy and surface enhanced Raman spectroscopy. A 1064 nm multichannel Raman spectrometer is discussed for chemical analysis of lignin. Extending dispersive multichannel Raman spectroscopy to 1064 nm reduces the fluorescence interference that can mask the weaker Raman scattering. Overall, these techniques help address the major obstacles in Raman spectroscopy for chemical analysis, which include the inherently weak Raman cross section and susceptibility to fluorescence interference.

  11. Quantitative Analysis by Isotopic Dilution Using Mass Spectroscopy: The Determination of Caffeine by GC-MS.

    Science.gov (United States)

    Hill, Devon W.; And Others

    1988-01-01

    Describes a laboratory technique for quantitative analysis of caffeine by an isotopic dilution method for coupled gas chromatography-mass spectroscopy. Discusses caffeine analysis and experimental methodology. Lists sample caffeine concentrations found in common products. (MVL)

  12. Thermal analysis of paracetamol polymorphs by FT-IR spectroscopies.

    Science.gov (United States)

    Zimmermann, Boris; Baranović, Goran

    2011-01-25

    A simple IR spectroscopy based methodology in routine screening studies of polymorphism is proposed. Reflectance and transmittance temperature-dependent IR measurements (coupled with the 2D-IR data presentation and the baseline analysis) offer a positive identification of each polymorphic phase, therefore allowing simple and rapid monitoring of the measured system. Applicability and flexibility of the methodology was demonstrated on the measurement of the model polymorphic compound paracetamol under various conditions (including geometric constraints and elevated pressure). The thermal behavior of paracetamol strongly depends on slight variations in experimental conditions that can result in formation of various phases (three polymorphs and the amorphous form). The amorphous phase can crystallize during heating into either Form II or Form III within almost identical temperature range. Likewise, the crystal transformations II→I and III→II also can proceed within almost identical temperature range. Furthermore, the thermal behavior is even more diverse than that, and includes the crystallizations of Forms I, II and III from the melt, and the high temperature II→I transition. The variety of the temperatures of the transformations is a major obstacle for unambiguous identification of a particular phase by DSC and a major reason for the implementation of these IR methods.

  13. Diagnosing breast cancer using Raman spectroscopy: prospective analysis

    Science.gov (United States)

    Haka, Abigail S.; Volynskaya, Zoya; Gardecki, Joseph A.; Nazemi, Jon; Shenk, Robert; Wang, Nancy; Dasari, Ramachandra R.; Fitzmaurice, Maryann; Feld, Michael S.

    2009-01-01

    We present the first prospective test of Raman spectroscopy in diagnosing normal, benign, and malignant human breast tissues. Prospective testing of spectral diagnostic algorithms allows clinicians to accurately assess the diagnostic information contained in, and any bias of, the spectroscopic measurement. In previous work, we developed an accurate, internally validated algorithm for breast cancer diagnosis based on analysis of Raman spectra acquired from fresh-frozen in vitro tissue samples. We currently evaluate the performance of this algorithm prospectively on a large ex vivo clinical data set that closely mimics the in vivo environment. Spectroscopic data were collected from freshly excised surgical specimens, and 129 tissue sites from 21 patients were examined. Prospective application of the algorithm to the clinical data set resulted in a sensitivity of 83%, a specificity of 93%, a positive predictive value of 36%, and a negative predictive value of 99% for distinguishing cancerous from normal and benign tissues. The performance of the algorithm in different patient populations is discussed. Sources of bias in the in vitro calibration and ex vivo prospective data sets, including disease prevalence and disease spectrum, are examined and analytical methods for comparison provided. PMID:19895125

  14. Analysis of Quil A-phospholipid mixtures using drift spectroscopy.

    Science.gov (United States)

    Demana, Patrick H; Davies, Nigel M; Hook, Sarah; Rades, Thomas

    2007-09-05

    The aim of this study was to investigate molecular interactions between Quil A and phosphatidylcholine in the solid state using diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS). Analysis of the interactions was characterized on the different regions of phosphatidylcholine: hydrophobic chain, interfacial and headgroup regions. The spectra of the hydrocarbon region of phosphatidylcholine alone compared to that for the binary mixture of Quil A and phosphatidylcholine were similar. These findings suggest that Quil A did not cause conformational disorder of the fatty acyl chains of the phospholipid. In contrast, a shift in the wavenumber of the choline group and a broad band in this moiety indicate a modification of the phospholipid in the headgroup region due to interaction between Quil A and phosphatidylcholine. These results suggest possibly ionic interactions between the negatively charged glucuronic acid moiety of the Quil A molecule with the positively charged choline group. The findings could also be the result of conformational changes in the choline group because of the intercalation of sugar moieties in Quil A between the choline and phosphate groups due to hydrogen bonding. Shift of wavenumbers to lower values on the carbonyl group was observed suggesting hydrogen bonding between Quil A and phosphatidylcholine. The difference in degrees of wavenumber shift (choline>phosphate>carbonyl group) and observed broad bands indicated that Quil A preferentially interacted with phosphatidylcholine on the hydrophilic headgroup. Cholesterol influenced such interactions at relatively high concentration (60%, w/w).

  15. Terahertz mechanical vibrations in lysozyme: Raman spectroscopy vs modal analysis

    Science.gov (United States)

    Carpinteri, Alberto; Lacidogna, Giuseppe; Piana, Gianfranco; Bassani, Andrea

    2017-07-01

    The mechanical behaviour of proteins is receiving an increasing attention from the scientific community. Recently it has been suggested that mechanical vibrations play a crucial role in controlling structural configuration changes (folding) which govern proteins biological function. The mechanism behind protein folding is still not completely understood, and many efforts are being made to investigate this phenomenon. Complex molecular dynamics simulations and sophisticated experimental measurements are conducted to investigate protein dynamics and to perform protein structure predictions; however, these are two related, although quite distinct, approaches. Here we investigate mechanical vibrations of lysozyme by Raman spectroscopy and linear normal mode calculations (modal analysis). The input mechanical parameters to the numerical computations are taken from the literature. We first give an estimate of the order of magnitude of protein vibration frequencies by considering both classical wave mechanics and structural dynamics formulas. Afterwards, we perform modal analyses of some relevant chemical groups and of the full lysozyme protein. The numerical results are compared to experimental data, obtained from both in-house and literature Raman measurements. In particular, the attention is focused on a large peak at 0.84 THz (29.3 cm-1) in the Raman spectrum obtained analyzing a lyophilized powder sample.

  16. Multivariate statistical process control (MSPC) using Raman spectroscopy for in-line culture cell monitoring considering time-varying batches synchronized with correlation optimized warping (COW).

    Science.gov (United States)

    Liu, Ya-Juan; André, Silvère; Saint Cristau, Lydia; Lagresle, Sylvain; Hannas, Zahia; Calvosa, Éric; Devos, Olivier; Duponchel, Ludovic

    2017-02-01

    Multivariate statistical process control (MSPC) is increasingly popular as the challenge provided by large multivariate datasets from analytical instruments such as Raman spectroscopy for the monitoring of complex cell cultures in the biopharmaceutical industry. However, Raman spectroscopy for in-line monitoring often produces unsynchronized data sets, resulting in time-varying batches. Moreover, unsynchronized data sets are common for cell culture monitoring because spectroscopic measurements are generally recorded in an alternate way, with more than one optical probe parallelly connecting to the same spectrometer. Synchronized batches are prerequisite for the application of multivariate analysis such as multi-way principal component analysis (MPCA) for the MSPC monitoring. Correlation optimized warping (COW) is a popular method for data alignment with satisfactory performance; however, it has never been applied to synchronize acquisition time of spectroscopic datasets in MSPC application before. In this paper we propose, for the first time, to use the method of COW to synchronize batches with varying durations analyzed with Raman spectroscopy. In a second step, we developed MPCA models at different time intervals based on the normal operation condition (NOC) batches synchronized by COW. New batches are finally projected considering the corresponding MPCA model. We monitored the evolution of the batches using two multivariate control charts based on Hotelling's T(2) and Q. As illustrated with results, the MSPC model was able to identify abnormal operation condition including contaminated batches which is of prime importance in cell culture monitoring We proved that Raman-based MSPC monitoring can be used to diagnose batches deviating from the normal condition, with higher efficacy than traditional diagnosis, which would save time and money in the biopharmaceutical industry. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Detection of cerebral autoregulation by near-infrared spectroscopy in neonates: performance analysis of measurement methods

    Science.gov (United States)

    Caicedo, Alexander; Naulaers, Gunnar; Lemmers, Petra; van Bel, Frank; Wolf, Martin; Van Huffel, Sabine

    2012-11-01

    Cerebral Autoregulation, in clinical practice, is assessed by means of correlation or coherence analysis between mean arterial blood pressure (MABP) and cerebral blood flow (CBF). However, even though there is evidence linking cerebral autoregulation assessment with clinical outcome in preterm infants, available methods lack precision for clinical use. Classical methods, used for cerebral autoregulation, are influenced by the choice of parameters such as the length of the epoch under analysis and the choice of suitable frequency bands. The influence of these parameters, in the derived measurements for cerebral autoregulation, has not yet been evaluated. In this study, cerebral autoregulation was assessed using correlation, coherence, a modified version of coherence and transfer function gain, and phase. The influence of the extra-parameters on the final scores was evaluated by means of sensitivity analysis. The methods were applied to a database of 18 neonates with measurements of MABP and tissue oxygenation index (TOI). TOI reflects changes in CBF and was measured by means of near-infrared spectroscopy.

  18. Ash analysis of flour sample by using laser-induced breakdown spectroscopy

    Science.gov (United States)

    Bilge, Gonca; Sezer, Banu; Eseller, Kemal Efe; Berberoglu, Halil; Koksel, Hamit; Boyaci, Ismail Hakki

    2016-10-01

    Ash content is a measure of total mineral content in flour. It is also an important quality parameter in terms of nutritional labeling as well as processing properties of various cereal products. However, laboratory analysis takes a long time (5-6 h) and results in considerable waste of energy. Therefore, the aim of the study was to develop a new method for ash analysis in wheat flour by using laser induced breakdown spectroscopy (LIBS). LIBS is a multi-elemental, quick and simple spectroscopic method. Unlike basic ash analysis method, it has the potential to analyze a sample in a considerably short time. In the study, wheat flours with different ash contents were analyzed using LIBS and the spectra were evaluated with partial least squares (PLS) method. The results were correlated with the ones taken from standard ash analysis method. Calibration graph showed good linearity with the ash content between 0.48 and 1.39%, and 0.992 coefficient of determination (R2). Limit of detection for ash analysis was calculated as 0.026%. The results indicated that LIBS is a promising and reliable method with high sensitivity for routine ash analysis in flour samples.

  19. Molecular Laser Spectroscopy as a Tool for Gas Analysis Applications

    Directory of Open Access Journals (Sweden)

    Javis Anyangwe Nwaboh

    2011-01-01

    Full Text Available We have used the traceable infrared laser spectrometric amount fraction measurement (TILSAM method to perform absolute concentration measurements of molecular species using three laser spectroscopic techniques. We report results performed by tunable diode laser absorption spectroscopy (TDLAS, quantum cascade laser absorption spectroscopy (QCLAS, and cavity ring down spectroscopy (CRDS, all based on the TILSAM methodology. The measured results of the different spectroscopic techniques are in agreement with respective gravimetric values, showing that the TILSAM method is feasible with all different techniques. We emphasize the data quality objectives given by traceability issues and uncertainty analyses.

  20. Exploring the interactions and binding sites between Cd and functional groups in soil using two-dimensional correlation spectroscopy and synchrotron radiation based spectromicroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Fusheng [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Polizzotto, Matthew L. [Department of Soil Science, North Carolina State University, Raleigh, NC 27695 (United States); Guan, Dongxing [Key Laboratory of Surficial Geochemistry, Ministry of Education, School of Earth Sciences and Engineering, Nanjing University, Nanjing 210026 (China); Wu, Jun [College of Environment, Zhejiang University of Technology, Hangzhou 310014 (China); Shen, Qirong; Ran, Wei [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Wang, Boren [Institute of Agricultural Resources and Regional Planning, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Yu, Guanghui, E-mail: yuguanghui@njau.edu.cn [Jiangsu Provincial Key Lab for Organic Solid Waste Utilization and National Engineering Research Center for Organic-Based Fertilizers, College of Resources & Environmental Sciences, Nanjing Agricultural University, Nanjing 210095 (China)

    2017-03-15

    Highlights: • The interactions and binding between Cd and functional groups are essential for their fates. • Two-dimensional correlation spectroscopy can identify Cd binding to functional groups in soils. • Synchrotron radiation based spectromicroscopy shows the micro-scale distribution of Cd in soils. • Soil functional groups controlling Cd binding can be modified by fertilization treatments. - Abstract: Understanding how heavy metals bind and interact in soils is essential for predicting their distributions, reactions and fates in the environment. Here we propose a novel strategy, i.e., combining two-dimensional correlation spectroscopy (2D COS) and synchrotron radiation based spectromicroscopies, for identifying heavy metal binding to functional groups in soils. The results showed that although long-term (23 yrs) organic fertilization treatment caused the accumulation of Cd (over 3 times) in soils when compared to no fertilization and chemical fertilization treatments, it significantly (p < 0.05) reduced the Cd concentration in wheat grain. The 2D COS analyses demonstrated that soil functional groups controlling Cd binding were modified by fertilization treatments, providing implications for the reduced bioavailability of heavy metals in organic fertilized soils. Furthermore, correlative micro X-ray fluorescence spectromicroscopy, electron probe micro-analyzer mapping, and synchrotron-radiation-based FTIR spectromicroscopy analysis showed that Cd, minerals, and organic functional groups were heterogeneously distributed at the micro-scale in soil colloids. Only minerals, rather than organic groups, had a similar distribution pattern with Cd. Together, this strategy has a potential to explore the interactions and binding sites among heavy metals, minerals and organic components in soil.

  1. High-Speed Linear Raman Spectroscopy for Instability Analysis of a Bluff Body Flame

    Science.gov (United States)

    Kojima, Jun; Fischer, David

    2013-01-01

    We report a high-speed laser diagnostics technique based on point-wise linear Raman spectroscopy for measuring the frequency content of a CH4-air premixed flame stabilized behind a circular bluff body. The technique, which primarily employs a Nd:YLF pulsed laser and a fast image-intensified CCD camera, successfully measures the time evolution of scalar parameters (N2, O2, CH4, and H2O) in the vortex-induced flame instability at a data rate of 1 kHz. Oscillation of the V-shaped flame front is quantified through frequency analysis of the combustion species data and their correlations. This technique promises to be a useful diagnostics tool for combustion instability studies.

  2. Correlation Analysis between TCM Syndromes and Physicochemical Parameters

    Institute of Scientific and Technical Information of China (English)

    SUN Zhan-quan; XI Guang-cheng; Li Hai-xia; YI Jian-qiang; WANG jie

    2006-01-01

    Traditionally, differentiation of syndromes of Traditional Chinese Medicine (TCM) mainly depends on the information obtained from four diagnosis methods. Now many physicochemical parameters are available in clinic. There exists great correlation between TCM syndromes and physicochemical parameters.The objective of the paper is to analyze the correlation between TCM syndromes and physicochemical parameters quantitatively. Correlation analysis has been widely studied and many analysis methods have been developed. Mutual information based on entropy can measure arbitrary dependence between variables. It has been applied to many kinds of fields, especially to pattern recognition. But most works are restricted to discrete variables and little work has been done to study the relation between discrete and continuous variables. A novel algorithm is proposed to calculate the mutual information between discrete and continuous variables. It is used to analyze the correlation between TCM syndromes and physicochemical parameters.

  3. Correlation and path coefficient analysis in coconut (Cocos nucifera L.

    Directory of Open Access Journals (Sweden)

    S. Geethanjali, D. Rajkumar and N.Shoba

    2014-12-01

    Full Text Available A total of 43 coconut germplasm accessions were characterized for nut yield and fruit component traits. Correlation analysis showed that most of the fruit traits viz., fruit length, fruit breadth, fruit weight, nut weight, kernel weight and copra weight per nut were positively correlated with each other but showed significant negative correlation with the number of nuts produced per palm per annum. Shell thickness and husk thickness were not correlated with any of the fruit component traits. Path analysis revealed that nut yield and copra content per nut had positive direct effect on the total copra yield per palm. The results of this study showed that equal consideration should be given for both nut yield and copra content per nut while selecting elite genotypes for dual purpose viz., tender nut or culinary use and copra for oil extraction.

  4. Interval arithmetic operations for uncertainty analysis with correlated interval variables

    Institute of Scientific and Technical Information of China (English)

    Chao Jiang; Chun-Ming Fu; Bing-Yu Ni; Xu Han

    2016-01-01

    A new interval arithmetic method is proposed to solve interval functions with correlated intervals through which the overestimation problem existing in interval analy-sis could be significantly alleviated. The correlation between interval parameters is defined by the multidimensional par-allelepiped model which is convenient to describe the correlative and independent interval variables in a unified framework. The original interval variables with correlation are transformed into the standard space without correlation, and then the relationship between the original variables and the standard interval variables is obtained. The expressions of four basic interval arithmetic operations, namely addi-tion, subtraction, multiplication, and division, are given in the standard space. Finally, several numerical examples and a two-step bar are used to demonstrate the effectiveness of the proposed method.

  5. DGCA: A comprehensive R package for Differential Gene Correlation Analysis.

    Science.gov (United States)

    McKenzie, Andrew T; Katsyv, Igor; Song, Won-Min; Wang, Minghui; Zhang, Bin

    2016-11-15

    Dissecting the regulatory relationships between genes is a critical step towards building accurate predictive models of biological systems. A powerful approach towards this end is to systematically study the differences in correlation between gene pairs in more than one distinct condition. In this study we develop an R package, DGCA (for Differential Gene Correlation Analysis), which offers a suite of tools for computing and analyzing differential correlations between gene pairs across multiple conditions. To minimize parametric assumptions, DGCA computes empirical p-values via permutation testing. To understand differential correlations at a systems level, DGCA performs higher-order analyses such as measuring the average difference in correlation and multiscale clustering analysis of differential correlation networks. Through a simulation study, we show that the straightforward z-score based method that DGCA employs significantly outperforms the existing alternative methods for calculating differential correlation. Application of DGCA to the TCGA RNA-seq data in breast cancer not only identifies key changes in the regulatory relationships between TP53 and PTEN and their target genes in the presence of inactivating mutations, but also reveals an immune-related differential correlation module that is specific to triple negative breast cancer (TNBC). DGCA is an R package for systematically assessing the difference in gene-gene regulatory relationships under different conditions. This user-friendly, effective, and comprehensive software tool will greatly facilitate the application of differential correlation analysis in many biological studies and thus will help identification of novel signaling pathways, biomarkers, and targets in complex biological systems and diseases.

  6. Detrended cross-correlation analysis consistently extended to multifractality.

    Science.gov (United States)

    Oświecimka, Paweł; Drożdż, Stanisław; Forczek, Marcin; Jadach, Stanisław; Kwapień, Jarosław

    2014-02-01

    We propose an algorithm, multifractal cross-correlation analysis (MFCCA), which constitutes a consistent extension of the detrended cross-correlation analysis and is able to properly identify and quantify subtle characteristics of multifractal cross-correlations between two time series. Our motivation for introducing this algorithm is that the already existing methods, like multifractal extension, have at best serious limitations for most of the signals describing complex natural processes and often indicate multifractal cross-correlations when there are none. The principal component of the present extension is proper incorporation of the sign of fluctuations to their generalized moments. Furthermore, we present a broad analysis of the model fractal stochastic processes as well as of the real-world signals and show that MFCCA is a robust and selective tool at the same time and therefore allows for a reliable quantification of the cross-correlative structure of analyzed processes. In particular, it allows one to identify the boundaries of the multifractal scaling and to analyze a relation between the generalized Hurst exponent and the multifractal scaling parameter λ(q). This relation provides information about the character of potential multifractality in cross-correlations and thus enables a deeper insight into dynamics of the analyzed processes than allowed by any other related method available so far. By using examples of time series from the stock market, we show that financial fluctuations typically cross-correlate multifractally only for relatively large fluctuations, whereas small fluctuations remain mutually independent even at maximum of such cross-correlations. Finally, we indicate possible utility of MFCCA to study effects of the time-lagged cross-correlations.

  7. Black Box Real-Time Transient Absorption Spectroscopy and Electron Correlation

    Science.gov (United States)

    Parkhill, John

    2017-06-01

    We introduce an atomistic, all-electron, black-box electronic structure code to simulate transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP- chromophore derivative1. The method is an application of OSCF2, our dissipative exten- sion of time-dependent density-functional theory. We compare our simulated spectra directly with recent ultra-fast spectroscopic experiments. We identify features in the TA spectra to Pauli-blocking which may be missed without a first-principles model. An important ingredient in this method is the stationary-TDDFT correction scheme recently put forwards by Fischer, Govind, and Cramer which allows us to overcome a limitation of adiabatic TDDFT. We demonstrate that OSCF2 is able to reproduce the energies of bleaches and induced absorptions, as well as the decay of the transient spectrum, with only the molecular structure as input. We show that the treatment of electron correlation is the biggest hurdle for TA simulations, which motivates the second half of the talk a new method for realtime electron correlation. We continue to derive and propagate self-consistent electronic dynamics. Extending our derivation of OSCF2 to include electron correlation we obtain a non-linear correlated one-body equation of motion which corrects TDHF. Similar equations are known in quantum kinetic theory, but rare in electronic structure. We introduce approximations that stabilize the theory and reduce its computational cost. We compare the resulting dynamics with well-known exact and approximate theories showing improvements over TDHF. When propagated EE2 changes occupation numbers like exact theory, an important feature missing from TDHF or TDDFT. We introduce a rotating wave approximation to reduce the scaling of the model to O(N^4), and enable propagation on realistically large systems. The equation-of-motion does not rely on a pure-state model for the electronic state, and could be used to study the relationship between electron

  8. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

    Science.gov (United States)

    Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to

  9. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy

    Science.gov (United States)

    Kaminker, Ilia; Wilson, Tiffany D.; Savelieff, Masha G.; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between 14N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the 14N mI = 0 and mI = -1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S = 1/2, I = 1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due

  10. Communication: Development of standing evanescent-wave fluorescence correlation spectroscopy and its application to the lateral diffusion of lipids in a supported lipid bilayer

    Science.gov (United States)

    Otosu, Takuhiro; Yamaguchi, Shoichi

    2017-07-01

    We present standing evanescent-wave fluorescence correlation spectroscopy (SEW-FCS). This technique utilizes the interference of two evanescent waves which generates a standing evanescent-wave. Fringe-pattern illumination created by a standing evanescent-wave enables us to measure the diffusion coefficients of molecules with a super-resolution corresponding to one fringe width. Because the fringe width can be reliably estimated by a simple procedure, utilization of fringes is beneficial to quantitatively analyze the slow diffusion of molecules in a supported lipid bilayer (SLB), a model biomembrane formed on a solid substrate, with the timescale relevant for reliable FCS analysis. Furthermore, comparison of the data between SEW-FCS and conventional total-internal reflection FCS, which can also be performed by the SEW-FCS instrument, effectively eliminates the artifact due to afterpulsing of the photodiode detector. The versatility of SEW-FCS is demonstrated by its application to various SLBs.

  11. Gender Differences in Musculoskeletal Lipid Metabolism as Assessed by Localized Two-Dimensional Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    S. Sendhil Velan; Department of Exercise Physiology, West Virginia University School of Medicine, Morgantown, West Virginia, U.S.A.

    2008-01-01

    Full Text Available Gender differences in lipid metabolism are poorly understood and difficult to study using conventional approaches. Magnetic resonance spectroscopy (MRS permits non-invasive investigation of lipid metabolism. We employed novel two- dimensional MRS techniques to quantify intramyocellular (IMCL and extramyocellular (EMCL lipid compartments and their degree of unsaturation in normal weight adult male and female subjects. Using muscle creatine (Cr for normalization, a statistically significant (p 0.05 increase in IMCL/Cr (7.8 ± 1.6 and EMCL/Cr (22.5 ± 3.6 for female subjects was observed (n = 8, as compared to IMCL/Cr (5.9 ± 1.7 and EMCL/Cr (18.4 ± 2.64 for male subjects. The degree of unsaturation within IMCL and EMCL was lower in female subjects, 1.3 ± 0.075 and 1.04 ± 0.06, respectively, as compared to that observed in males (n = 8, 1.5 ± 0.08 and 1.12 ± 0.03, respectively (p 0.05 male vs female for both comparisons. We conclude that certain salient gender differences in lipid metabolism can be assessed noninvasively by advanced MRS approaches.

  12. Photoelectron Spectroscopy of YbInCu{sub 4}: Direct Testing of Correlated Electron Models

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.J.; Arko, A.J.; Sarrao, J.L.; Fisk, Z.

    1997-12-31

    The electronic properties of single crystal YbInCu{sub 4} have been investigated by means of high resolution photoelectron spectroscopy. A first order, isostructural phase transition for YbInCu{sub 4} at T{sub v}=42 K leads to changes in the Kondo temperature of more than an order of magnitude (27 K vs. 400 K). This phase transition and accompanying Kondo temperature change provide the most direct test of the single impurity model (SIM) to date. Particle hole symmetry allows the SIM to be used for Yb compounds as well as Ce heavy fermions with the great advantage that the predicted Kondo resonance is found on the occupied side of the spectral weight function for Yb materials and is thus directly observable in photoemission. The photoemission results are incongruous with the single impurity model predictions for temperature dependence, binding energy and 4f occupancy, encouraging a reevaluation of the single impurity model. The experiments were conducted using the PGM undulator and 4 meter NIM beamlines at SRC. The spectra were taken at photon energies of 40 eV and 90 eV and the combined energy resolution of the analyzer and monochromator was 45- 85 meV.

  13. Analysis of transverse momentum correlations in hadronic Z decays

    Science.gov (United States)

    ALEPH Collaboration; Barate, R.; Buskulic, D.; Decamp, D.; Ghez, P.; Goy, C.; Lees, J.-P.; Lucotte, A.; Merle, E.; Minard, M.-N.; Nief, J.-Y.; Perrodo, P.; Pietrzyk, B.; Alemany, R.; Casado, M. P.; Chmeissani, M.; Crespo, J. M.; Delfino, M.; Fernandez, E.; Fernandez-Bosman, M.; Garrido, Ll.; Graugès, E.; Juste, A.; Martinez, M.; Merino, G.; Miquel, R.; Mir, Ll. M.; Pacheco, A.; Park, I. C.; Pascual, A.; Riu, I.; Sanchez, F.; Colaleo, A.; Creanza, D.; de Palma, M.; Gelao, G.; Iaselli, G.; Maggi, G.; Maggi, M.; Nuzzo, S.; Ranieri, A.; Raso, G.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Tricomi, A.; Zito, G.; Huang, X.; Lin, J.; Ouyang, Q.; Wang, T.; Xie, Y.; Xu, R.; Xue, S.; Zhang, J.; Zhang, L.; Zhao, W.; Abbaneo, D.; Becker, U.; Boix, G.; Cattaneo, M.; Cerutti, F.; Ciulli, V.; Dissertori, G.; Drevermann, H.; Forty, R. W.; Frank, M.; Halley, A. W.; Hansen, J. B.; Harvey, J.; Janot, P.; Jost, B.; Lehraus, I.; Leroy, O.; Mato, P.; Minten, A.; Moneta, L.; Moutoussi, A.; Ranjard, F.; Rolandi, L.; Rousseau, D.; Schlatter, D.; Schmitt, M.; Schneider, O.; Tejessy, W.; Teubert, F.; Tomalin, I. R.; Tournefier, E.; Wachsmuth, H.; Ajaltouni, Z.; Badaud, F.; Chazelle, G.; Deschamps, O.; Falvard, A.; Ferdi, C.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Monteil, S.; Montret, J.-C.; Pallin, D.; Perret, P.; Podlyski, F.; Hansen, J. D.; Hansen, J. R.; Hansen, P. H.; Nilsson, B. S.; Rensch, B.; Wäänänen, A.; Daskalakis, G.; Kyriakis, A.; Markou, C.; Simopoulou, E.; Siotis, I.; Vayaki, A.; Blondel, A.; Bonneaud, G.; Brient, J.-C.; Rougé, A.; Rumpf, M.; Swynghedauw, M.; Valassi, A.; Verderi, M.; Videau, H.; Focardi, E.; Parrini, G.; Zachariadou, K.; Corden, M.; Georgiopoulos, C.; Jaffe, D. E.; Antonelli, A.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Chiarella, V.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G. P.; Passalacqua, L.; Pepe-Altarelli, M.; Curtis, L.; Lynch, J. G.; Negus, P.; O'Shea, V.; Raine, C.; Teixeira-Dias, P.; Thompson, A. S.; Thomson, E.; Buchmüller, O.; Dhamotharan, S.; Geweniger, C.; Hanke, P.; Hansper, G.; Hepp, V.; Kluge, E. E.; Putzer, A.; Sommer, J.; Tittel, K.; Werner, S.; Wunsch, M.; Beuselinck, R.; Binnie, D. M.; Cameron, W.; Dornan, P. J.; Girone, M.; Goodsir, S.; Martin, E. B.; Marinelli, N.; Nash, J.; Sedgbeer, J. K.; Spagnolo, P.; Williams, M. D.; Ghete, V. M.; Girtler, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.; Betteridge, A. P.; Bowdery, C. K.; Buck, P. G.; Colrain, P.; Crawford, G.; Finch, A. J.; Foster, F.; Hughes, G.; Jones, R. W. L.; Robertson, N. A.; Williams, M. I.; Giehl, I.; Hoffmann, C.; Jakobs, K.; Kleinknecht, K.; Quast, G.; Renk, B.; Rohne, E.; Sander, H.-G.; van Gemmeren, P.; Zeitnitz, C.; Aubert, J. J.; Benchouk, C.; Bonissent, A.; Carr, J.; Coyle, P.; Etienne, F.; Motsch, F.; Payre, P.; Talby, M.; Thulasidas, M.; Aleppo, M.; Antonelli, M.; Ragusa, F.; Berlich, R.; Büscher, V.; Dietl, H.; Ganis, G.; Hüttmann, K.; Lütjens, G.; Mannert, C.; Männer, W.; Moser, H.-G.; Schael, S.; Settles, R.; Seywerd, H.; Stenzel, H.; Wiedenmann, W.; Wolf, G.; Azzurri, P.; Boucrot, J.; Callot, O.; Chen, S.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J.-F.; Heusse, Ph.; Jacholkowska, A.; Kim, D. W.; Le Diberder, F.; Lefrançois, J.; Lutz, A.-M.; Schune, M.-H.; Veillet, J.-J.; Videau, I.; Zerwas, D.; Bagliesi, G.; Bettarini, S.; Boccali, T.; Bozzi, C.; Calderini, G.; dell'Orso, R.; Ferrante, I.; Foà, L.; Giassi, A.; Gregorio, A.; Ligabue, F.; Lusiani, A.; Marrocchesi, P. S.; Messineo, A.; Palla, F.; Rizzo, G.; Sanguinetti, G.; Sciabà, A.; Sguazzoni, G.; Tenchini, R.; Vannini, C.; Venturi, A.; Verdini, P. G.; Blair, G. A.; Chambers, J. T.; Cowan, G.; Green, M. G.; Medcalf, T.; Strong, J. A.; von Wimmersperg-Toeller, J. H.; Botterill, D. R.; Clifft, R. W.; Edgecock, T. R.; Norton, P. R.; Thompson, J. C.; Wright, A. E.; Bloch-Devaux, B.; Colas, P.; Emery, S.; Kozanecki, W.; Lançon, E.; Lemaire, M.-C.; Locci, E.; Perez, P.; Rander, J.; Renardy, J.-F.; Roussarie, A.; Schuller, J.-P.; Schwindling, J.; Trabelsi, A.; Vallage, B.; Black, S. N.; Dann, J. H.; Johnson, R. P.; Kim, H. Y.; Konstantinidis, N.; Litke, A. M.; McNeil, M. A.; Taylor, G.; Booth, C. N.; Cartwright, S.; Combley, F.; Kelly, M. S.; Lehto, M.; Thompson, L. F.; Affholderbach, K.; Böhrer, A.; Brandt, S.; Grupen, C.; Prange, G.; Saraiva, P.; Smolik, L.; Stephan, F.; Giannini, G.; Gobbo, B.; Rothberg, J.; Wasserbaech, S.; Armstrong, S. R.; Charles, E.; Elmer, P.; Ferguson, D. P. S.; Gao, Y.; González, S.; Greening, T. C.; Hayes, O. J.; Hu, H.; Jin, S.; McNamara, P. A., III; Nachtman, J. M.; Nielsen, J.; Orejudos, W.; Pan, Y. B.; Saadi, Y.; Scott, I. J.; Walsh, J.; Wu, Sau Lan; Wu, X.; Zobernig, G.

    1999-02-01

    In a recent paper, evidence was presented for a significant, positive correlation between the total transverse momenta of particles on opposite hemispheres of hadronic events. A new, model independent analysis of the data has been made. Two components can be distinguished in the correlation, and quantitative estimates of each are given. The results form a significant test of Monte Carlo models and some of the physics behind them.

  14. Analysis of hydrocarbon fuel properties by means of Raman spectroscopy

    Science.gov (United States)

    Flatley, Martin W.

    The project is focused on the determination of Raman spectra of hydrocarbon fuel samples using a spectrometer employing a silicon linear array detector which has a spectral range of 400 nm to 1.1 mum. The spectra are processed using chemometric techniques in order to determine the concentrations of the tracked blend components and analytical values that are used to ensure that desired specifications are achieved. The verification is based on the American Standard Testing Methods procedures for the determination of the motor, research, and road octane numbers, simulated distillation and Reid vapour pressure. Blending is one of the most important steps in the final production of hydrocarbon fuels; as many as ten complex components are mixed to achieve the desired properties of the final product. Traditionally, blending relies on well-established analytical methods such as gas chromatography for component and simulated distillation analysis, knock engines and near infrared spectroscopy for octane analysis. All of these methods are reliable and accurate, but their results are not available in real time but rather with a substantial delay, since it is in the nature of the methods that the sample must be transported from a test site to the site where the instrument is located. Additional time is required for performing the analytical procedure; e.g. the results of a gas chromatography analysis are only available from minutes to hours after the sample has been introduced into the instrument. Consequently, the results, although accurate, become only available after the process of blending has been completed. The thesis describes an implementation of a Raman spectroscopic method, which is novel in the given context, since it allows monitoring and control of the blending process online, in real time. A Raman spectrometer was designed, using a solid state laser for excitation (785 nm, 800 mW), a blazed grating for the diffraction (600 lines-per-millimeter, 750 nm blaze, 635

  15. Model independent analysis of nearly L\\'evy correlations

    OpenAIRE

    Novák, T.; Csörgő, T.; Eggers, H. C.; Kock, M.

    2016-01-01

    A model-independent method for the analysis of the two-particle short-range correlations is presented, that can be utilized to describe e.g. Bose-Einstein (HBT), dynamical (ridge) or other correlation functions, that have a nearly L\\'evy or streched exponential shape. For the special case of L\\'evy exponent alpha = 1, the earlier Laguerre expansions are recovered, for the alpha = 2 special case, a new expansion method is obtained for nearly Gaussian correlation functions. Multi-dimensional L\\...

  16. Analysis of community structure in networks of correlated data

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, S.; Jensen, P.; Arenas, A.

    2008-12-25

    We present a reformulation of modularity that allows the analysis of the community structure in networks of correlated data. The new modularity preserves the probabilistic semantics of the original definition even when the network is directed, weighted, signed, and has self-loops. This is the most general condition one can find in the study of any network, in particular those defined from correlated data. We apply our results to a real network of correlated data between stores in the city of Lyon (France).

  17. Canonical correlation analysis of course and teacher evaluation

    DEFF Research Database (Denmark)

    Sliusarenko, Tamara; Ersbøll, Bjarne Kjær

    2010-01-01

    At the Technical University of Denmark course evaluations are performed by the students on a questionnaire. On one form the students are asked specific questions regarding the course. On a second form they are asked specific questions about the teacher. This study investigates the extent to which...... information obtained from the course evaluation form overlaps with information obtained from the teacher evaluation form. Employing canonical correlation analysis it was found that course and teacher evaluations are correlated. However, the structure of the canonical correlation is subject to change...

  18. Delay correlation analysis and representation for vital complaint VHDL models

    Science.gov (United States)

    Rich, Marvin J.; Misra, Ashutosh

    2004-11-09

    A method and system unbind a rise/fall tuple of a VHDL generic variable and create rise time and fall time generics of each generic variable that are independent of each other. Then, according to a predetermined correlation policy, the method and system collect delay values in a VHDL standard delay file, sort the delay values, remove duplicate delay values, group the delay values into correlation sets, and output an analysis file. The correlation policy may include collecting all generic variables in a VHDL standard delay file, selecting each generic variable, and performing reductions on the set of delay values associated with each selected generic variable.

  19. Correlation failure analysis of an uncertain hysteretic vibration system

    Institute of Scientific and Technical Information of China (English)

    Zhang Xufang; Zhang Yimin; Hao Qiuju

    2008-01-01

    In this paper, a numerical method for correlation sensitivity analysis of a nonlinear random vibration system is presented. Based on the first passage failure model, the probability perturbation method is employed to determine the statistical characteristics of failure modes and the correlation between them. The sensitivity of correlation between failure modes with respect to random parameters characterizing the uncertainty of the hysteretic loop is discussed. In a numerical example, a two-DOF shear structure with uncertain hysteretic restoring force is considered. The statistical characteristics of response, failure modes and the sensitivity of random hysteretic loop parameters are provided, and also compared with a Monte Carlo simulation.

  20. Process Correlation Analysis Model for Process Improvement Identification

    Directory of Open Access Journals (Sweden)

    Su-jin Choi

    2014-01-01

    software development process. However, in the current practice, correlations of process elements are often overlooked in the development of an improvement plan, which diminishes the efficiency of the plan. This is mainly attributed to significant efforts and the lack of required expertise. In this paper, we present a process correlation analysis model that helps identify correlations of process elements from the results of process assessment. This model is defined based on CMMI and empirical data of improvement practices. We evaluate the model using industrial data.

  1. Wavelet multiple correlation and cross-correlation: A multiscale analysis of Eurozone stock markets

    Science.gov (United States)

    Fernández-Macho, Javier

    2012-02-01

    Statistical studies that consider multiscale relationships among several variables use wavelet correlations and cross-correlations between pairs of variables. This procedure needs to calculate and compare a large number of wavelet statistics. The analysis can then be rather confusing and even frustrating since it may fail to indicate clearly the multiscale overall relationship that might exist among the variables. This paper presents two new statistical tools that help to determine the overall correlation for the whole multivariate set on a scale-by-scale basis. This is illustrated in the analysis of a multivariate set of daily Eurozone stock market returns during a recent period. Wavelet multiple correlation analysis reveals the existence of a nearly exact linear relationship for periods longer than the year, which can be interpreted as perfect integration of these Euro stock markets at the longest time scales. It also shows that small inconsistencies between Euro markets seem to be just short within-year discrepancies possibly due to the interaction of different agents with different trading horizons.

  2. [Pattern recognition of decorative papers with different visual characteristics using visible spectroscopy coupled with principal component analysis (PCA)].

    Science.gov (United States)

    Zhang, Mao-mao; Yang, Zhong; Lu, Bin; Liu, Ya-na; Sun, Xue-dong

    2015-02-01

    As one of the most important decorative materials for the modern household products, decorative papers impregnated with melamine not only have better decorative performance, but also could greatly improve the surface properties of materials. However, the appearance quality (such as color-difference evaluation and control) of decorative papers, as an important index for the surface quality of decorative paper, has been a puzzle for manufacturers and consumers. Nowadays, human eye is used to discriminate whether there exist color difference in the factory, which is not only of low efficiency but also prone to bring subjective error. Thus, it is of great significance to find an effective method in order to realize the fast recognition and classification of the decorative papers. In the present study, the visible spectroscopy coupled with principal component analysis (PCA) was used for the pattern recognition of decorative papers with different visual characteristics to investigate the feasibility of visible spectroscopy to rapidly recognize the types of decorative papers. The results showed that the correlation between visible spectroscopy and visual characteristics (L*, a* and b*) was significant, and the correlation coefficients wereup to 0.85 and some was even more than 0. 99, which might suggest that the visible spectroscopy reflected some information about visual characteristics on the surface of decorative papers. When using the visible spectroscopy coupled with PCA to recognize the types of decorative papers, the accuracy reached 94%-100%, which might suggest that the visible spectroscopy was a very potential new method for the rapid, objective and accurate recognition of decorative papers with different visual characteristics.

  3. CHBPR Proton Magnetic Resonance Spectroscopy Detection of Neurotransmitters in Dorsomedial Medulla Correlate with Spontaneous Baroreceptor Reflex Function

    Science.gov (United States)

    Garcia-Espinosa, Maria A.; Shaltout, Hossam A.; Olson, John; Westwood, Brian M.; Robbins, Mike E.; Link, Kerry; Diz, Debra I.

    2010-01-01

    Control of heart rate variability (HRV) via modulation of sympathovagal balance is a key function of nucleus tractus solitarii (nTS) and dorsal motor nucleus of the vagus localized in the dorsomedial medulla oblongata. Normal blood pressure regulation involves precise balance of glutamate-glutamine-GABA (Glu-Gln-GABA) transmitter systems, and angiotensin (Ang) II modulates these transmitters to produce tonic suppression of reflex function. It is not known, however, whether other brain transmitters/metabolites are indicators of baroreflex function. This study establishes the concept that comprehensive baseline transmitter/metabolite profiles obtained using in vivo 1H Magnetic Resonance Spectroscopy (1H MRS) in rats with well characterized differences in resting blood pressure and baroreflex function can be used as indices of autonomic balance or baroreflex sensitivity. Glu concentration in dorsal medulla is significantly higher in ASrAogen rats compared to either SD and (mRen2)27. Glu levels and the ratio of Glu/Gln correlated positively with indices of higher vagal tone consistent with the importance of these neurotransmitters in baroreflex function. Interestingly, the levels of choline containing metabolites showed a significant positive correlation with spontaneous baroreflex sensitivity and a negative correlation with sympathetic tone. Thus, we demonstrate the concept that non-invasive assessment of neurochemical biomarkers may be used as an index of baroreflex sensitivity. PMID:20065146

  4. Communication: Uncovering correlated vibrational cooling and electron transfer dynamics with multidimensional spectroscopy

    Science.gov (United States)

    Guo, Zhenkun; Giokas, Paul G.; Cheshire, Thomas P.; Williams, Olivia F.; Dirkes, David J.; You, Wei; Moran, Andrew M.

    2016-09-01

    Analogues of 2D photon echo methods in which two population times are sampled have recently been used to expose heterogeneity in chemical kinetics. In this work, the two population times sampled for a transition metal complex are transformed into a 2D rate spectrum using the maximum entropy method. The 2D rate spectrum suggests heterogeneity in the vibrational cooling (VC) rate within the ensemble. In addition, a cross peak associated with VC and back electron transfer (BET) dynamics reveals correlation between the two processes. We hypothesize that an increase in the strength of solute-solvent interactions, which accelerates VC, drives the system toward the activationless regime of BET.

  5. /sup 3/H-/sup 1/H shift correlation NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Funke, C.W.; Wagenaars, G.N.; Kaspersen, F.M.

    1986-05-01

    Three two-dimensional /sup 3/H-/sup 1/H chemical shift correlation experiments are described, all using familiar pulse sequences. The experiments reveal the chemical shifts of the /sup 1/H spins which are coupled scalarly to a /sup 3/H spin and, thus, assist in the unambiguous location of this /sup 3/H spin within the molecule. The limitations for molecules involving a /sup 3/H spin which is coupled differently to various /sup 1/H spins are indicated. In practice, the detection limit is of the order of 100 MBq per /sup 3/H-labelling site.

  6. [Optimizing spectral region in using near-infrared spectroscopy for donkey milk analysis].

    Science.gov (United States)

    Zheng, Li-Min; Zhang, Lu-Da; Guo, Hui-Yuan; Pang, Kun; Zhang, Wen-Juan; Ren, Fa-Zheng

    2007-11-01

    Donkey milk has aroused more attention in recent years since its nutrition composition shows a higher similarity to human milk than others. Due to the composition difference between cow milk and donkey milk, the present models available for cow milk analysis could not be applied to donkey milk without modifications. A rapid and reliable analysis method is required to measure the nutrition composition of donkey milk. Near infrared spectroscopy is a newly developed method in food industry, but no literature report was found regarding to its application in the analysis of donkey milk. Protein, fat, ash contents and energy value are the major nutrition factors of milk. In the present paper, these factors of donkey milk were investigated by Fourier transform near-infrared (FT-NIR) spectroscopy. The ranges of protein, fat and ash contents, and energy value in donkey milk samples were 1.15%-2.54%, 0.34%-2.67%, 0.28%-0.57% and 355.87-565.17 cal x kg(-1), respectively. The IR spectra ranged f from 3 899.6 to 12 493.4 cm(-1), with a 1 cm(-1) scanning interval. When the principal least square (PLS) regression algorithm is used for spectral regions information extraction, the additional constraint makes the principal components of matrix X to be related with the components of Y which is to be analyzed. Various spectral regions and data pretreatment methods were selected for principal least square (PLS) regression model development. A comparison of the whole and optimized spectral region NIR indicated that the models of selecting optimum spectral region were better than those of the whole spectral region. It was shown that the protein, fat and ash contents, and energy value in donkey milk obtained by chemical methods were well correlated to the respective values predicted by the NIR spectroscopy quantitative analysis model (alpha = 0.05). The RMSEP values were 0.18, 0.117, 0.040 6 and 23.5 respectively, indicating that these predicted values were reliable. These results

  7. Analysis of acid pitchstone (Iceland using laser induced breakdown spectroscopy (LIBS

    Directory of Open Access Journals (Sweden)

    Pavel Veis

    2013-11-01

    Full Text Available Analysis of acid pitchstone (sample from Iceland using laser induced breakdown spectroscopy (LIBS is presented in this study. The rock sample was taken because of its uniform composition and a homogenous structure at microscale. Elements like Si, Fe, Ca, Mg, Al, Mn, Ti, Na, K, Ba, Sr and Li were detected in the LIBS spectra. Important plasma parameters (electron density and temperature were calculated on the base of Stark broadening mechanism of spectral lines and Saha- Boltzmann plot method, respectively. Quantitative analysis was performed using calibration free (CF approach of LIBS method. CF-LIBS analysis compared to reconstructed bulk rock analysis using precise mineral and glass analyses obtained by electron microprobe analysis (EMPA gives a good correlation, sufficient enough for having primary information of chemical composition of the studied rock sample or alternatively large mineral phases. An element with very low atomic number, lithium, was detected only by LIBS. Li is not detectable on microprobe. Taking into account possible local mineral accumulations and imprecisions induced by estimation of mineral volumes in the glass the CF-LIBS method gives acceptably precise analyses for geological purposes.

  8. Near-infrared (NIR) monitoring of Nylon 6 during quenching studied by projection two-dimensional (2D) correlation spectroscopy

    Science.gov (United States)

    Shinzawa, Hideyuki; Mizukado, Junji

    2016-11-01

    Evolutionary change in supermolecular structure of Nylon 6 during its melt-quenched process was studied by Near-infrared (NIR) spectroscopy. Time-resolved NIR spectra was measured by taking the advantage of high-speed NIR monitoring based on an acousto-optic tunable filter (AOTF). Fine spectral features associated with the variation of crystalline and amorphous structure occurring in relatively short time scale were readily captured. For example, synchronous and asynchronous 2D correlation spectra reveal the initial decrease in the contribution of the NIR band at 1485 nm due to the amorphous structure, predominantly existing in the melt Nylon 6. This is then followed by the emerging contribution of the band intensity at 1535 nm associated with the crystalline structure. Consequently, the results clearly demonstrate a definite advantage of the high-speed NIR monitoring for analyzing fleeting phenomena.

  9. Further investigation on potassium-induced conformation transition of Nephila spidroin film with two-dimensional infrared correlation spectroscopy.

    Science.gov (United States)

    Peng, Xianneng; Shao, Zhengzhong; Chen, Xin; Knight, David P; Wu, Peiyi; Vollrath, Fritz

    2005-01-01

    We used two-dimensional (2D) correlation infrared spectroscopy to study further the potassium-induced conformation transition in Nephila spidroin films. It provided increased resolution and important new information on the sequence of events in the conformation transition process, showing that beta-sheet formed from the helical component before they formed from random coil. It also showed more evidence that formation of the 1691 cm(-1) (turn/bend) peak did not proceed with the same kinetics as the 1620 cm(-1) (antiparallel beta-sheet component) one, so we attribute the 1691 cm(-1) peak to turns which formed with different kinetics as the antiparallel beta-sheets. We present a single coherent and detailed hypothesis for the assembly and secondary structural transition of silk proteins in vivo and in vitro based on our findings and on evidence from other laboratories.

  10. 10×10-pixel 606kS/s multi-point fluorescence correlation spectroscopy CMOS image sensor

    Science.gov (United States)

    Kagawa, Keiichiro; Takasawa, Taishi; Bo, Zhang; Seo, Min-Woong; Imai, Kaita; Yamamoto, Jotaro; Kinjo, Masataka; Terakawa, Susumu; Yasutomi, Keita; Kawahito, Shoji

    2014-03-01

    To observe molecular transport in a living cell, a high-speed CMOS image sensor for multi-point fluorescence correlation spectroscopy is developed. To achieve low-noise and high-speed simultaneously, a prototype CMOS image sensor is designed based on a complete pixel-parallel architecture and multi-channel pipelined pixel readout. The prototype chip with 10×10 effective pixels is fabricated in 0.18-μm CMOS image sensor technology. The pixel pitch and the photosensitive area are 56μm and 10μm in diameter without a microlens, respectively. In the experiment, the total sampling rate of 606kS/s is achieved. The measured average random noise is 24.9LSB, which is equivalent to about 2.5 electrons in average.

  11. Fast spatiotemporal correlation spectroscopy to determine protein lateral diffusion laws in live cell membranes.

    Science.gov (United States)

    Di Rienzo, Carmine; Gratton, Enrico; Beltram, Fabio; Cardarelli, Francesco

    2013-07-23

    Spatial distribution and dynamics of plasma-membrane proteins are thought to be modulated by lipid composition and by the underlying cytoskeleton, which forms transient barriers to diffusion. So far this idea was probed by single-particle tracking of membrane components in which gold particles or antibodies were used to individually monitor the molecules of interest. Unfortunately, the relatively large particles needed for single-particle tracking can in principle alter the very dynamics under study. Here, we use a method that makes it possible to investigate plasma-membrane proteins by means of small molecular labels, specifically single GFP constructs. First, fast imaging of the region of interest on the membrane is performed. For each time delay in the resulting stack of images the average spatial correlation function is calculated. We show that by fitting the series of correlation functions, the actual protein "diffusion law" can be obtained directly from imaging, in the form of a mean-square displacement vs. time-delay plot, with no need for interpretative models. This approach is tested with several simulated 2D diffusion conditions and in live Chinese hamster ovary cells with a GFP-tagged transmembrane transferrin receptor, a well-known benchmark of membrane-skeleton-dependent transiently confined diffusion. This approach does not require extraction of the individual trajectories and can be used also with dim and dense molecules. We argue that it represents a powerful tool for the determination of kinetic and thermodynamic parameters over very wide spatial and temporal scales.

  12. [Application of NIR Spectroscopy for Nondestructive Qualitative and Quantitative Analysis of Lotus Seeds].

    Science.gov (United States)

    Zhu, Heng-yin; Fu, Xia-ping; You, Gui-rong; He, Jin-cheng

    2015-10-01

    By extracting the Near Infrared (NIR) diffuse reflectance spectral characteristics from the post-harvest lotus seeds in different storage periods, the quantitative and qualitative analysis were applied to lotus seeds with the Soluble Solids Content (SSC) and dry matter content (DM) as criteria. The results of the Partial Least Squares Regression (PLSR) and distance discrimination (DA) models showed that the absorption spectra of lotus seeds and lotus kernels has clear relations to their SSC and DM. The PLSR models of SSC and DM of lotus seeds had the best performance in 5 941-12 480 cm(-1) spectral region in this study. Their correlation coefficients of prediction were 0.74 and 0.82, and the correlation coefficients of calibration were 0.82 and 0.84, and the correlation coefficients of leave one out cross validation were 0.72 and 0.71. The PLSR model of SSC of lotus kernels was better in 7 891-9 310 cm(-1) spectral region. Its correlation coefficient of prediction was 0.79, and the correlation coefficient of calibration was 0.84, and the correlation coefficient of leave one out cross validation was 0.77. The PLSR model of DM of lotus kernels is better in the full spectral region. Its correlation coefficient of prediction was 0.92, and the correlation coefficient of calibration was 0.89, and the correlation coefficient of leave one out cross validation was 0.82. For lotus seeds, the DA model in 5 400-7 885 cm(-1) spectral region is the best with a correctness of 84.2%. And for lotus kernels, the DA model in 9 226-12 480 cm(-1) spectral region is the best with a correctness of 90.8%. For dry lotus kernels, the discriminant accuracy of the DA model is 98.9% in the optimal spectral region. All kernels with membrane and plumule were correctly discriminated. This research shows that the NIR spectroscopy technique can be used to determine SSC and DM content of lotus seeds and lotus kernels, as well as to discriminate their freshness and also to discriminate dry lotus

  13. Analysis of structural variability in pharmaceutical excipients using solid-state NMR spectroscopy.

    Science.gov (United States)

    Sperger, Diana M; Munson, Eric Jon

    2011-09-01

    Polysaccharide-based excipients comprise the majority of most solid dosage forms and can vary dramatically in terms of structural and functionally related properties. Analytical methods for characterizing these important formulation components are crucial. Solid-state NMR spectroscopy (SSNMR) can provide a wealth of information on these materials while offering the advantages of non-destructive sample preparation and selectivity. The overall objective of this work is to identify SSNMR parameters that can be used to detect differences among these excipients. Excipients were obtained from a wide range of suppliers and analyzed as received; (13)C SSNMR spectra were acquired using a Chemagnetics CMX-300 spectrometer operating at approximately 75 MHz. The resolution of SSNMR signals of many excipients allows for positive identification of the major form present. Alginic acid and sodium alginate can be differentiated based on carbonyl peak position. Analysis of relative peak intensities provides insight into the purity of a carrageenan sample compared to known standards. The SSNMR spectrum of starch can be used to identify the source and to quantitate the amorphous and crystalline content. Relaxation values and peak areas of starch derivatives can be related to the degree of hydrolysis, providing an alternative method for determining dextrose equivalent. Differences in peak intensities and relaxation time values of HPMC samples can be correlated to the amount of methoxy subsituent groups. Important characteristics of excipients such as form identification, structural differences, crystalline and amorphous content, and water content variations can be detected using SSNMR spectroscopy.

  14. Carbon-dot organic surface modifier analysis by solution-state NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Philippidis, Aggelos; Spyros, Apostolos, E-mail: aspyros@chemistry.uoc.gr; Anglos, Demetrios [University of Crete, NMR Laboratory, Department of Chemistry (Greece); Bourlinos, Athanasios B. [University of Ioannina, Physics Department (Greece); Zboril, Radek [Palacky University in Olomouc, Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science (Czech Republic); Giannelis, Emmanuel P. [Cornell University, Department of Materials Science and Engineering (United States)

    2013-07-15

    Carbon dots (C-dots) represent a new class of carbon-based materials that were discovered recently and have drawn the interest of the scientific community, particularly because of their attractive optical properties and their potential as fluorescent sensors. Investigation of the chemical structure of C-dots is extremely important for correlating the surface modifier composition with C-dot optical properties and allow for structure-properties fine tuning. In this article, we report the structural analysis of the surface modifiers of three different types of C-dot nanoparticles (Cwax, Cws, and Csalt) by use of 1D- and 2D-high-resolution NMR spectroscopy in solution. We unambiguously verify that the structure of the modifier chains remains chemically unchanged during the passivation procedure, and confirm the covalent attachment of the modifiers to the nanoparticle core, which contributes no signal to the solution-state NMR spectra. To our knowledge, this is the first study confirming the full structural assignment of C-dot organic surface modifiers by use of solution NMR spectroscopy.

  15. In vivo 1D and 2D correlation MR spectroscopy of the soleus muscle at 7T

    Science.gov (United States)

    Ramadan, Saadallah; Ratai, Eva-Maria; Wald, Lawrence L.; Mountford, Carolyn E.

    2010-05-01

    AimThis study aims to (1) undertake and analyse 1D and 2D MR correlation spectroscopy from human soleus muscle in vivo at 7T, and (2) determine T1 and T2 relaxation time constants at 7T field strength due to their importance in sequence design and spectral quantitation. MethodSix healthy, male volunteers were consented and scanned on a 7T whole-body scanner (Siemens AG, Erlangen, Germany). Experiments were undertaken using a 28 cm diameter detunable birdcage coil for signal excitation and an 8.5 cm diameter surface coil for signal reception. The relaxation time constants, T1 and T2 were recorded using a STEAM sequence, using the 'progressive saturation' method for the T1 and multiple echo times for T2. The 2D L-Correlated SpectroscopY (L-COSY) method was employed with 64 increments (0.4 ms increment size) and eight averages per scan, with a total time of 17 min. ResultsT1 and T2 values for the metabolites of interest were determined. The L-COSY spectra obtained from the soleus muscle provided information on lipid content and chemical structure not available, in vivo, at lower field strengths. All molecular fragments within multiple lipid compartments were chemically shifted by 0.20-0.26 ppm at this field strength. 1D and 2D L-COSY spectra were assigned and proton connectivities were confirmed with the 2D method. ConclusionIn vivo 1D and 2D spectroscopic examination of muscle can be successfully recorded at 7T and is now available to assess lipid alterations as well as other metabolites present with disease. T1 and T2 values were also determined in soleus muscle of male healthy volunteers.

  16. Analysis of correlation between corneal topographical data and visual performance

    Science.gov (United States)

    Zhou, Chuanqing; Yu, Lei; Ren, Qiushi

    2007-02-01

    Purpose: To study correlation among corneal asphericity, higher-order aberrations and visual performance for eyes of virgin myopia and postoperative laser in situ keratomileusis (LASIK). Methods: There were 320 candidates 590 eyes for LASIK treatment included in this study. The mean preoperative spherical equivalence was -4.35+/-1.51D (-1.25 to -9.75), with astigmatism less than 2.5 D. Corneal topography maps and contrast sensitivity were measured and analyzed for every eye before and one year after LASIK for the analysis of corneal asphericity and wavefront aberrations. Results: Preoperatively, only 4th and 6th order aberration had significant correlation with corneal asphericity and apical radius of curvature (pcorneal asphericity (pcorneal aberrations had no significant correlation with visual acuity and area under the log contrast sensitivity (AULCSF) (P>0.05). Postoperatively, corneal aberrations still didn't have significant correlation with visual acuity (P>0.05), but had significantly negative correlation with AULCSF (PCorneal asphericity had no significant correlation with AULCSF before and after the treatment (P>0.05). Conclusions: Corneal aberrations had different correlation with corneal profile and visual performance for eyes of virgin myopia and postoperative LASIK, which may be due to changed corneal profile and limitation of metrics of corneal aberrations.

  17. Modeling electronic structure and spectroscopy in correlated materials and topological insulators

    Science.gov (United States)

    Wang, Yung Jui

    Current major topics in condensed matter physics mostly focus on the investigation of materials having exotic quantum phases. For instance, Z 2 topological insulators have novel quantum states, which are distinct from ordinary band insulators. Recent developments show that these nontrivial topological phases may provide a platform for creating new types of quasiparticles in real materials, such as Majorana fermions. In correlated systems, high-T c superconducting cuprates are complicated due to the richness of their phase diagram. Surprisingly, the discovery of iron pnictides demonstrates that high-Tc superconductivity related phenomena are not unique to copper oxide compounds. Many people believe that the better the understanding of the electronic structure of cuprates and iron pnictides, the higher chances to unveil the high temperature superconductivity mystery. Despite the fact that silicon is a fundamental element in modern semiconductor electronics technology, the chemical bonding properties of liquid silicon phase still remain a puzzle. A popular approach to investigate electronic structure of complex materials is combining the first principles calculation with an experimental light scattering probe. Particularly, Compton scattering probes the many body electronic ground state in the bulk of materials in terms of electron momentum density projected along a certain scattering direction, and inelastic x-ray scattering measures the dynamic structure factor S(q, o) which contains information about electronic density-density correlations. In this thesis, I study several selected materials based on first principles calculations of their electronic structures, the Compton profiles and the Lindhard susceptibility within the framework of density functional theory. Specifically, I will discuss the prediction of a new type of topological insulators in quaternary chalcogenide compounds of compositions I2-II-IV-VI 4 and in ternary famatinite compounds of compositions I3

  18. Topology Studies of Hydrodynamics Using Two-Particle Correlation Analysis

    Science.gov (United States)

    Takahashi, J.; Tavares, B. M.; Qian, W. L.; Andrade, R.; Grassi, F.; Hama, Y.; Kodama, T.; Xu, N.

    2009-12-01

    The effects of fluctuating initial conditions are studied in the context of relativistic heavy ion collisions where a rapidly evolving system is formed. Two-particle correlation analysis is applied to events generated with the NEXSPHERIO hydrodynamic code, starting with fluctuating nonsmooth initial conditions (IC). The results show that the nonsmoothness in the IC survives the hydroevolution and can be seen as topological features of the angular correlation function of the particles emerging from the evolving system. A long range correlation is observed in the longitudinal direction and in the azimuthal direction a double peak structure is observed in the opposite direction to the trigger particle. This analysis provides clear evidence that these are signatures of the combined effect of tubular structures present in the IC and the proceeding collective dynamics of the hot and dense medium.

  19. Topology studies of hydrodynamics using two particle correlation analysis

    CERN Document Server

    Takahashi, J; Qian, W L; Grassi, F; Hama, Y; Kodama, T; Xu, N

    2009-01-01

    Two particle correlation analysis is applied to events generated with the NEXSPHERIO hydrodynamic evolution code starting with fluctuating non-smooth initial conditions. Results show that the non-smoothness in the initial distributions survives the hydro-evolution and can be seen as topological features in the correlation function. Long range angular correlation in the longitudinal direction and a double peak structure in the azimuthal direction opposite to the trigger particle direction were observed, similar to features observed in the experimental data. This analysis provides clear evidence that these are signatures of the combined effect of tubular structures present in initial conditions, originated from the interactions of the energetic particles, and the proceeding collective dynamics of the hot and dense medium created in heavy ion collisions.

  20. Sliding window correlation analysis for dengue-climate variable relationship

    Science.gov (United States)

    Thiruchelvam, Loshini; Asirvadam, Vijanth S.; Dass, Sarat C.; Daud, Hanita; Gill, Balvinder S.

    2016-11-01

    This study discussed building of sliding windows to analyze the relationship between dengue incidences and weather variables of mean temperature, relative humidity and rainfall, across the timeline. A window sized of 20 was selected and applied to find correlation between dengue incidences and each of the weather variable. A few time lag of zero, two, four, six, and eight is compared and the time lag with best correlation is selected for each weather variable. Study did not found a good insight for analysis using mean temperature and relative humidity. For both these variables, it was suggested dengue incidences is better measured using fluctuation of maximum and minimum values. Analysis using rainfall variable was found to vary across the timeline in magnitude and direction of the correlation. Time lag of eight was found to be the most significant explaining the relationship between dengue incidences and rainfall variable.

  1. On discriminant analysis techniques and correlation structures in high dimensions

    DEFF Research Database (Denmark)

    Clemmensen, Line Katrine Harder

    This paper compares several recently proposed techniques for performing discriminant analysis in high dimensions, and illustrates that the various sparse methods dier in prediction abilities depending on their underlying assumptions about the correlation structures in the data. The techniques...... generally focus on two things: Obtaining sparsity (variable selection) and regularizing the estimate of the within-class covariance matrix. For high-dimensional data, this gives rise to increased interpretability and generalization ability over standard linear discriminant analysis. Here, we group...

  2. Analysis of Flavonoid in Medicinal Plant Extract Using Infrared Spectroscopy and Chemometrics

    Directory of Open Access Journals (Sweden)

    Lestyo Wulandari

    2016-01-01

    Full Text Available Infrared (IR spectroscopy combined with chemometrics has been developed for simple analysis of flavonoid in the medicinal plant extract. Flavonoid was extracted from medicinal plant leaves by ultrasonication and maceration. IR spectra of selected medicinal plant extract were correlated with flavonoid content using chemometrics. The chemometric method used for calibration analysis was Partial Last Square (PLS and the methods used for classification analysis were Linear Discriminant Analysis (LDA, Soft Independent Modelling of Class Analogies (SIMCA, and Support Vector Machines (SVM. In this study, the calibration of NIR model that showed best calibration with R2 and RMSEC value was 0.9916499 and 2.1521897, respectively, while the accuracy of all classification models (LDA, SIMCA, and SVM was 100%. R2 and RMSEC of calibration of FTIR model were 0.8653689 and 8.8958149, respectively, while the accuracy of LDA, SIMCA, and SVM was 86.0%, 91.2%, and 77.3%, respectively. PLS and LDA of NIR models were further used to predict unknown flavonoid content in commercial samples. Using these models, the significance of flavonoid content that has been measured by NIR and UV-Vis spectrophotometry was evaluated with paired samples t-test. The flavonoid content that has been measured with both methods gave no significant difference.

  3. Strongly correlated transition metal compounds investigated by soft X-ray spectroscopies and multiplet calculations

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez-Mier, J., E-mail: jimenez@nucleares.unam.mx [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Olalde-Velasco, P. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States); Herrera-Pérez, G.; Carabalí -Sandoval, G. [Instituto de Ciencias Nucleares, UNAM, 04510 México, DF (Mexico); Chavira, E. [Instituto de Investigaciones en Materiales, UNAM, 04510 México, DF (Mexico); Yang, W.-L.; Denlinger, J. [The Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, CA 94720 (United States)

    2014-10-15

    Direct probe of Mott–Hubbard (MH) to charge-transfer (CT) insulator transition in the MF{sub 2} (M = Cr–Zn) family of compounds was observed by combining F K and M L X-ray emission spectra (XES). This transition is evident as a crossover of the F-2p and M-3d occupied states. By combining F K XES data with F K edge X-ray absorption (XAS) data we directly obtained values for the M-3d Hubbard energy (U{sub dd}) and the F-2p to M-3d charge-transfer energy (Δ{sub CT}). Our results are in good agreement with the Zaanen–Sawatzky–Allen theory. We also present three examples where X-ray absorption at the transition metal L{sub 2,3} edges is used to study the oxidation state of various strongly correlated transition metal compounds. The metal oxidation state is obtained by direct comparison with crystal field multiplet calculations. The compounds are CrF{sub 2}, members of the La{sub 1−x}Sr{sub x}CoO{sub 3} family, and the MVO{sub 3} (M = La and Y) perovskites.

  4. Auto-correlation analysis of ocean surface wind vectors

    Indian Academy of Sciences (India)

    Abhijit Sarkar; Sujit Basu; A K Varma; Jignesh Kshatriya

    2002-09-01

    The nature of the inherent temporal variability of surface winds is analyzed by comparison of winds obtained through different measurement methods. In this work, an auto-correlation analysis of a time series data of surface winds measured in situ by a deep water buoy in the Indian Ocean has been carried out. Hourly time series data available for 240 hours in the month of May, 1999 were subjected to an auto-correlation analysis. The analysis indicates an exponential fall of the auto- correlation in the first few hours with a decorrelation time scale of about 6 hours. For a meaningful comparison between satellite derived products and in situ data, satellite data acquired at different time intervals should be used with appropriate `weights', rather than treating the data as concurrent in time. This paper presents a scheme for temporal weighting using the auto-correlation analysis. These temporal `weights' can potentially improve the root mean square (rms) deviation between satellite and in situ measurements. A case study using the TRMM Microwave Imager (TMI) and Indian Ocean buoy wind speed data resulted in an improvement of about 10%.

  5. Drivers and Outcomes of Scenario Planning: A Canonical Correlation Analysis

    Science.gov (United States)

    Chermack, Thomas J.; Nimon, Kim

    2013-01-01

    Purpose: The paper's aim is to report a research study on the mediator and outcome variable sets in scenario planning. Design/methodology/approach: This is a cannonical correlation analysis (CCA) Findings Two sets of variables; one as a predictor set that explained a significant amount of variability in the second, or outcome set of variables were…

  6. Time series analysis : Smoothed correlation integrals, autocovariances, and power spectra

    NARCIS (Netherlands)

    Takens, F; Dumortier, F; Broer, H; Mawhin, J; Vanderbauwhede, A; Lunel, SV

    2005-01-01

    In this paper we relate notions from linear time series analyses, like autocovariances and power spectra, with notions from nonlinear times series analysis, like (smoothed) correlation integrals and the corresponding dimensions and entropies. The complete proofs of the results announced in this pape

  7. Emission spectroscopy analysis during Nopal cladodes dethorning by laser ablation

    Science.gov (United States)

    Peña-Díaz, M.; Ponce, L.; Arronte, M.; Flores, T.

    2007-04-01

    Optical emission spectroscopy of the pulsed laser ablation of spines and glochids from Opuntia (Nopal) cladodes was performed. Nopal cladodes were irradiated with Nd:YAG free-running laser pulses on their body, glochids and spines. Emission spectroscopy analyses in the 350-1000 nm region of the laser induced plasma were made. Plasma plume evolution characterization, theoretical calculations of plasma plume temperature and experiments varying the processing atmosphere showed that the process is dominated by a thermally activated combustion reaction which increases the dethorning process efficiency. Therefore, appropriate laser pulse energy for minimal damage of cladodes body and in the area beneath glochids and spines can be obtained.

  8. Emission spectroscopy analysis during Nopal cladodes dethorning by laser ablation

    Energy Technology Data Exchange (ETDEWEB)

    Pena-Diaz, M; Ponce, L; Arronte, M; Flores, T [Laboratorio TecnologIa Laser, CICATA-IPN, Unidad Altamira, Carretera Tampico-Puerto Ind. Altamira, 89600, TAMPS (Mexico)

    2007-04-15

    Optical emission spectroscopy of the pulsed laser ablation of spines and glochids from Opuntia (Nopal) cladodes was performed. Nopal cladodes were irradiated with Nd:YAG free-running laser pulses on their body, glochids and spines. Emission spectroscopy analyses in the 350-1000 nm region of the laser induced plasma were made. Plasma plume evolution characterization, theoretical calculations of plasma plume temperature and experiments varying the processing atmosphere showed that the process is dominated by a thermally activated combustion reaction which increases the dethorning process efficiency. Therefore, appropriate laser pulse energy for minimal damage of cladodes body and in the area beneath glochids and spines can be obtained.

  9. Fourier transform-infrared spectroscopy and Gas chromatography-mass spectroscopy: Reliable techniques for analysis of Parthenium mediated vermicompost

    Science.gov (United States)

    Rajiv, P.; Rajeshwari, Sivaraj; Venckatesh, Rajendran

    2013-12-01

    Fourier transform infrared spectroscopy (FT-IR) and Gas chromatography-mass spectroscopy have been carried out to investigate the chemical composition of Parthenium mediated vermicompost. Four different concentrations of Parthenium and cow dung mixtures were vermicomposted using the earthworms (Eudrilus eugeniae). FT-IR spectra reveal the absence of Parthenin toxin (sesquiterpene lactone) and phenols in vermicompost which was obtained from high concentration of cow dung mixed treatments. GC-MS analysis shows no phenolic compounds and predominant level of intermediate metabolites such as 4,8,12,16-Tetramethylheptadecan-4-olide (7.61%), 2-Pentadecanone, 6,10,14-trimethyl- (5.29%) and Methyl 16-methyl-heptadecanoate (4.69%) during the vermicomposting process. Spectral results indicated that Parthenin toxin and phenols can be eradicated via vermicomposting if mixed with appropriate quantity of cow dung.

  10. Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation.

    Science.gov (United States)

    Keun, Hector C; Athersuch, Toby J; Beckonert, Olaf; Wang, Yulan; Saric, Jasmina; Shockcor, John P; Lindon, John C; Wilson, Ian D; Holmes, Elaine; Nicholson, Jeremy K

    2008-02-15

    We present a novel application of the heteronuclear statistical total correlation spectroscopy (HET-STOCSY) approach utilizing statistical correlation between one-dimensional 19F/1H NMR spectroscopic data sets collected in parallel to study drug metabolism. Parallel one-dimensional (1D) 800 MHz 1H and 753 MHz 19F{1H} spectra (n = 21) were obtained on urine samples collected from volunteers (n = 6) at various intervals up to 24 h after oral dosing with 500 mg of flucloxacillin. A variety of statistical relationships between and within the spectroscopic datasets were explored without significant loss of the typically high 1D spectral resolution, generating 1H-1H STOCSY plots, and novel 19F-1H HET-STOCSY, 19F-19F STOCSY, and 19F-edited 1H-1H STOCSY (X-STOCSY) spectroscopic maps, with a resolution of approximately 0.8 Hz/pt for both nuclei. The efficient statistical editing provided by these methods readily allowed the collection of drug metabolic data and assisted structure elucidation. This approach is of general applicability for studying the metabolism of other fluorine-containing drugs, including important anticancer agents such as 5-fluorouracil and flutamide, and is extendable to any drug metabolism study where there is a spin-active X-nucleus (e.g., 13C, 15N, 31P) label present.

  11. Continuous monitoring of absolute cerebral blood flow by combining diffuse correlation spectroscopy and time-resolved near-infrared technology

    Science.gov (United States)

    Diop, Mamadou; Lee, Ting-Yim; St. Lawrence, Keith

    2011-02-01

    Continuous bedside monitoring of cerebral blood flow (CBF) in patients recovering from brain injury could improve the detection of impaired substrate delivery, which can exacerbate injury and worsen outcome. Diffuse correlation spectroscopy (DCS) provides the ability to monitor perfusion changes continuously, but it is difficult to quantify absolute blood flow - leading to uncertainties as to whether or not CBF has fallen to ischemic levels. To continuously measure CBF, we propose to calibrate DCS data using a single time-point, time-resolved near-infrared (TR-NIR) technique for measuring absolute CBF. Experiments were conducted on newborn piglets in which CBF was increased by raising the arterial tension of CO2 (40-62 mmHg) and decreased by carotid occlusion. For validation, values of CBF measured by TR-NIR were converted into blood flow changes and compared to CBF changes measured by DCS. A strong correlation between perfusion changes from the two techniques was revealed (slope = 0.98 and R2 = 0.96), suggesting that a single time-point CBF measurement by TR-NIR can be used to convert continuous DCS data into units of CBF (ml/100g/min).

  12. Biogenic unmodified gold nanoparticles for selective and quantitative detection of cerium using UV-vis spectroscopy and photon correlation spectroscopy (DLS).

    Science.gov (United States)

    Priyadarshini, E; Pradhan, N; Panda, P K; Mishra, B K

    2015-06-15

    The ability of self-functionalized biogenic GNPs towards highly selective colorimetric detection of rare earth element cerium is being reported for the first time. GNPs underwent rapid aggregation on addition of cerium indicated by red shift of SPR peak followed by complete precipitation. Hereby, this concept of co-ordination of cerium ions onto the GNP surface has been utilized for detection of cerium. The remarkable capacity of GNPs to sensitively detect Ce without proves beneficial compared to previous reports of colorimetric sensing. MDL was 15 and 35 ppm by DLS and UV-vis spectroscopy respectively, suggesting DLS to be highly sensitive and a practical alternative in ultrasensitive detection studies. The sensing system showed a good linear fit favouring feasible detection of cerium in range of 2-50 ppm. Similar studies further showed the superior selectivity of biogenic GNPs compared to chemically synthesized counterparts. The sensing system favours on-site analysis as it overcomes need of complex instrumentation, lengthy protocols and surface modification of GNP.

  13. In vitro binding kinetics of DNA double strand break repair proteins Ku70/80 and DNA-PKcs quantified by fluorescence correlation spectroscopy and fluorescence cross-correlation spectroscopy

    Science.gov (United States)

    Abdisalaam, Salim; Chen, David J.; Alexandrakis, George

    2012-02-01

    DNA double-strand breaks (DSBs) are one of the most lethal types of DNA damage that occurs in eukaryotic cells. There are two distinct pathways of repairing DSBs, homologous recombination (HR) and non-homologous end joining (NHEJ). In the NHEJ repairing pathway, DSB recognition and repair initiation is directed by the interaction of DNAbinding subunit Ku70/80 heterodimer with the DNA-PK protein catalytic subunit (DNA-PKcs). Mutations in these proteins result in repair stalling and eventual DNA misrepair that may lead to genomic instability. Studying the binding kinetics of these repair proteins is therefore important for understanding the conditions under which DSB repair stalls. Currently open questions are, what is the minimum DNA length that this complex needs to get a foothold onto a DSB and how tightly does DNA-PKcs bind onto the DNA-Ku70/80 complex. Fluorescence Correlation Spectroscopy (FCS) and Fluorescence Cross-Correlation Spectroscopy (FCCS) techniques have the potential to give information about the binding kinetics of DNA-protein and protein-protein interactions at the single-molecule level. In this work, FCS/FCCS measurements were performed to explore the minimum DNA base-pair (bp) length that Ku70/80 needed as a foothold to bind effectively onto the tips of different lengths of double-stranded DNA (dsDNA) fragments that mimic DSBs. 25 bp, 33 bp and 50 bp of dsDNA were used for these experiments and binding was studied as a function of salt concentration in solution. It was found that the 25 bp binding was weak even at physiological salt concentrations while the dissociation constant (Kd) remained constant for 33 and 50 bp dsDNA strand lengths. These studies indicated that the minimum binding length for the Ku70/8 is in the vicinity of 25 bp. The specificity of binding of Ku70/80 was proven by competitive binding FCCS experiments between Cy5-labeled DNA, GFP-Ku70/80 and titrations of unlabeled Ku70/80. Finally, using FCCS it was possible to estimate

  14. Infrared Spectroscopy of Explosives Residues: Measurement Techniques and Spectral Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, Mark C.; Bernacki, Bruce E.

    2015-03-11

    Infrared laser spectroscopy of explosives is a promising technique for standoff and non-contact detection applications. However, the interpretation of spectra obtained in typical standoff measurement configurations presents numerous challenges. Understanding the variability in observed spectra from explosives residues and particles is crucial for design and implementation of detection algorithms with high detection confidence and low false alarm probability. We discuss a series of infrared spectroscopic techniques applied toward measuring and interpreting the reflectance spectra obtained from explosives particles and residues. These techniques utilize the high spectral radiance, broad tuning range, rapid wavelength tuning, high scan reproducibility, and low noise of an external cavity quantum cascade laser (ECQCL) system developed at Pacific Northwest National Laboratory. The ECQCL source permits measurements in configurations which would be either impractical or overly time-consuming with broadband, incoherent infrared sources, and enables a combination of rapid measurement speed and high detection sensitivity. The spectroscopic methods employed include standoff hyperspectral reflectance imaging, quantitative measurements of diffuse reflectance spectra, reflection-absorption infrared spectroscopy, microscopic imaging and spectroscopy, and nano-scale imaging and spectroscopy. Measurements of explosives particles and residues reveal important factors affecting observed reflectance spectra, including measurement geometry, substrate on which the explosives are deposited, and morphological effects such as particle shape, size, orientation, and crystal structure.

  15. Conformational analysis of starch derivatives by FTIR spectroscopy

    NARCIS (Netherlands)

    Bruijnes, C.; Bosman, R.; Bareman, P.; Besemer, A.

    1989-01-01

    Infrared spectroscopy appears to be a helpful tool for conformational analyses of starch derivatives. In this study spectral changes in the fmgerprint region between 1200 and 900 cm-1 are related to changes in tertiary structures of β-cyclodextrin and linear dextrin inclusion complexes, linear dextr

  16. Advantages and limitations of transition voltage spectroscopy: A theoretical analysis

    NARCIS (Netherlands)

    Mirjani, F.; Thijssen, J.M.; Van der Molen, S.J.

    2011-01-01

    In molecular charge transport, transition voltage spectroscopy (TVS) holds the promise that molecular energy levels can be explored at bias voltages lower than required for resonant tunneling. We investigate the theoretical basis of this tool using a generic model. In particular, we study the length

  17. FOURIER TRANSFORMED INFRA RED SPECTROSCOPY IN BEEPRODUCTS ANALYSIS

    Directory of Open Access Journals (Sweden)

    L.AL. MĂRGHITAS

    2013-12-01

    Full Text Available FTIR spectroscopy is a very recent technique mainly used so far for classification of honeys of different geographical and botanical origin, on identification of honey and other food products adulteration. Some of the advantages of FTIR methodology are described in this article.

  18. Conductometric analysis in bio-applications: A universal impedance spectroscopy-based approach using modified electrodes

    DEFF Research Database (Denmark)

    Canali, Chiara; Larsen, Layla Bashir; Grøttem Martinsen, Ørjan

    2015-01-01

    We present a universal protocol for quick and reproducible conductivity determinations in bio-applications using electrochemical impedance spectroscopy (EIS), electrode modification and automate spectral analysis. Two-terminal EIS measurements may be acquired using any standard impedance analyser...

  19. [Ammonia gas concentration and velocity measurement using tunable diode laser absorption spectroscopy and optical signal cross-correlation method].

    Science.gov (United States)

    Zhang, Chun-Xiao; Wang, Fei; Li, Ning; Yan, Jian-Hua; Chi, Yong; Cen, Ke-Fa

    2009-10-01

    Simultaneous online measurement of gas concentration and velocity can be realized by tunable diode laser absorption spectroscopy (TDLAS) technique and optical signal cross-correlation method. The fundamental and relative factors of gas concentration and velocity measurement are described in the present paper. The spectral lines of NH3 used for gas sensing at communication band in near infrared range were selected and analyzed by the calculation based on the HITRAN database. In the verification experiment, NH3 and N2 were mixed by two mass flow meters and sent to flow through the quartz tube 0. 016 m in inner diameter and 1 m in length at normal temperature and pressure. The spectral line located at 6,548.7 cm(-1) was scanned at high frequency by the diode laser of 15 MHz linewidth and 1 cm' tunable range with no mode hoppings. The instantaneous NH3 absorbance was obtained using direct absorption method and the gas concentration was calculated. At the same time, the non-intrusive optical absorption signal cross-correlation method was utilized to obtain two concentration signals from two adjacent detectors mounted along the gas tube. The corresponding transit time of gas passing through the detectors was calculated by cross-correlation algorithm, and the average gas velocity was inferred according to the distance between the two detectors and the transit time. The relative errors were less than 7% for the gas concentration measurement, and less than 10% for the gas velocity measurement. Experimental results were proved to be of high precision and good repeatability in the lab. The feature of fast response and capacity immune to the in situ disturbance would lead to a potential in industry application for the real time measurement and control of gas pollutant emission in the future.

  20. Approximate chemical analysis of volcanic glasses using Raman spectroscopy

    Science.gov (United States)

    Morgavi, Daniele; Hess, Kai‐Uwe; Neuville, Daniel R.; Borovkov, Nikita; Perugini, Diego; Dingwell, Donald B.

    2015-01-01

    The effect of chemical composition on the Raman spectra of a series of natural calcalkaline silicate glasses has been quantified by performing electron microprobe analyses and obtaining Raman spectra on glassy filaments (~450 µm) derived from a magma mingling experiment. The results provide a robust compositionally‐dependent database for the Raman spectra of natural silicate glasses along the calcalkaline series. An empirical model based on both the acquired Raman spectra and an ideal mixing equation between calcalkaline basaltic and rhyolitic end‐members is constructed enabling the estimation of the chemical composition and degree of polymerization of silicate glasses using Raman spectra. The model is relatively insensitive to acquisition conditions and has been validated using the MPI‐DING geochemical standard glasses1 as well as further samples. The methods and model developed here offer several advantages compared with other analytical and spectroscopic methods such as infrared spectroscopy, X‐ray fluorescence spectroscopy, electron and ion microprobe analyses, inasmuch as Raman spectroscopy can be performed with a high spatial resolution (1 µm2) without the need for any sample preparation as a nondestructive technique. This study represents an advance in efforts to provide the first database of Raman spectra for natural silicate glasses and yields a new approach for the treatment of Raman spectra, which allows us to extract approximate information about the chemical composition of natural silicate glasses using Raman spectroscopy. We anticipate its application in handheld in situ terrestrial field studies of silicate glasses under extreme conditions (e.g. extraterrestrial and submarine environments). © 2015 The Authors Journal of Raman Spectroscopy Published by John Wiley & Sons Ltd PMID:27656038

  1. Quantitative analysis of surface amine groups on plasma-polymerized ethylenediamine films using UV-visible spectroscopy compared to chemical derivatization with FT-IR spectroscopy, XPS and TOF-SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jinmo [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Jung, Donggeun [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Park, Yongsup [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Kim, Yongki [Department of Physics, Brain Korea 21 Physics Research Division and Institute of Basic Science, Sungkyunkwan University (SKKU), Suwon 440-746 (Korea, Republic of); Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Moon, Dae Won [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of); Lee, Tae Geol [Division of Advanced Technology, Korea Research Institute of Standards and Science (KRISS), Daejeon 305-600 (Korea, Republic of)]. E-mail: tglee@kriss.re.kr

    2007-02-28

    A quantitative analysis of the surface density of amine groups on a plasma-polymerized ethylenediamine thin film deposited on a platinum surface using inductively coupled plasma chemical vapor deposition method is described. UV-visible spectroscopy together with a chemical derivatization technique using Fourier transform infrared (FT-IR) spectroscopy was used to obtain the quantitative information. Chemical tags of pentafluorobenzaldehyde were hybridized with the surface amine groups and were easily detected due to the characteristic absorption bands of C-F stretching, aromatic ring and C=N stretching vibrations in the reflection-absorption FT-IR spectra. The surface amine density was reproducibly controlled as a function of deposition plasma power and quantified using UV-visible spectroscopy. A good linear correlation was observed between the FT-IR intensities of the characteristic absorption bands and the surface amine densities, suggesting the possibility of using this chemical derivatization technique to quantify the surface densities of specific functional groups on an organic surface. Chemical derivatization was also used with X-ray photoelectron spectroscopy on the same samples, and the results were compared with those obtained from FT-IR and time-of-flight secondary ion mass spectrometry. Although each analysis technique has different probing depths from the surface, the three different data sets obtained from the chemical tags correlated well with each other since each analysis technique measured the chemical tags on the sample surface.

  2. Correlation of brain tissue oxygen tension with cerebral near-infrared spectroscopy and mixed venous oxygen saturation during extracorporeal membrane oxygenation.

    Science.gov (United States)

    Tyree, Kreangkai; Tyree, Melissa; DiGeronimo, Robert

    2009-09-01

    The aim of this prospective, animal study was to compare brain tissue oxygen tension (PbtO(2)) with cerebral near infrared spectroscopy (NIRS) and mixed venous oxygen saturation (SVO(2)) during venoarterial extracorporeal membrane oxygenation (VA ECMO) in a porcine model. This was accomplished using twelve immature piglets with surgically implanted catheters placed in the superficial cerebral cortex to measure brain PbtO(2) and microdialysis metabolites. The NIRS sensor was placed overlying the forehead to measure cerebral regional saturation index (rSO(2)i) while SVO(2) was measured directly from the ECMO circuit. Animals were placed on VA ECMO followed by an initial period of stabilization, after which they were subjected to graded hypoxia and recovery. Our results revealed that rSO(2)i and SVO(2) correlated only marginally with PbtO(2) (R(2)=0.32 and R(2)=0.26, respectively) while the correlation between rSO(2)i and SVO( 2) was significantly stronger (R(2)=0.59). Cerebral metabolites and rSO(2)i were significantly altered during attenuation of PbtO( 2), p<0.05). A subset of animals, following exposure to hypoxia, experienced markedly delayed recovery of both rSO(2)i and PbtO( 2) despite rapid normalization of SVO(2). Upon further analysis, these animals had significantly lower blood pressure (p=0.001), lower serum pH (p=0.01), and higher serum lactate (p=0.02). Additionally, in this subgroup, rSO(2)i correlated better with PbtO(2) (R(2)=0.76). These findings suggest that, in our ECMO model, rSO(2)i and SVO( 2) correlate reasonably well with each other, but not necessarily with brain PbtO(2) and that NIRS-derived rSO(2)i may more accurately reflect cerebral tissue hypoxia in sicker animals.

  3. Stock Markets Correlation: before and during the Crisis Analysis

    Directory of Open Access Journals (Sweden)

    Ioana MOLDOVAN

    2011-08-01

    Full Text Available The article studies the correlations between the stock markets of the greatest financial centers in the world, namely New York, London and Tokyo, in two different time intervals, namely before the global crisis that erupted in 2007 and during it, in order to determine whether the stock markets correlate more strongly during increasing or decreasing trends. The results of the analysis, carried out by means of multiple regressions, show that the links between the three stock markets were more intense during the crisis, on a decreasing trend respectively, than before the financial turmoil, when the stock indexes had an upward trend.

  4. Analysis of the Correlation between GDP and the Final Consumption

    Directory of Open Access Journals (Sweden)

    Constantin ANGHELACHE

    2011-09-01

    Full Text Available This paper presents the results of the researches performed by the author regarding the evolution of Gross Domestic Product. One of the main aspects of GDP analysis is the correlation with the final consumption, an important macroeconomic indicator. The evolution of the Gross Domestic Product is highly influenced by the evolution of the final consumption. To analyze the correlation, the paper proposes the use of the linear regression model, as one of the most appropriate instruments for such scientific approach. The regression model described in the article uses the GDP as resultant variable and the final consumption as factorial variable.

  5. Microcalorimeter Q-spectroscopy for rapid isotopic analysis of trace actinide samples

    Energy Technology Data Exchange (ETDEWEB)

    Croce, M.P., E-mail: mpcroce@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM (United States); Bond, E.M.; Hoover, A.S.; Kunde, G.J.; Mocko, V.; Rabin, M.W.; Weisse-Bernstein, N.R.; Wolfsberg, L.E. [Los Alamos National Laboratory, Los Alamos, NM (United States); Bennett, D.A.; Hays-Wehle, J.; Schmidt, D.R.; Ullom, J.N. [National Institute of Standards and Technology, Boulder, CO (United States)

    2015-06-01

    We are developing superconducting transition-edge sensor (TES) microcalorimeters that are optimized for rapid isotopic analysis of trace actinide samples by Q-spectroscopy. By designing mechanically robust TESs and simplified detector assembly methods, we have developed a detector for Q-spectroscopy of actinides that can be assembled in minutes. We have characterized the effects of each simplification and present the results. Finally, we show results of isotopic analysis of plutonium samples with Q-spectroscopy detectors and compare the results to mass spectrometry.

  6. Two-dimensional correlation infrared spectroscopy applied to analyzing and identifying the extracts of Baeckea frutescens medicinal materials.

    Science.gov (United States)

    Adib, Adiana Mohamed; Jamaludin, Fadzureena; Kiong, Ling Sui; Hashim, Nuziah; Abdullah, Zunoliza

    2014-08-05

    Baeckea frutescens or locally known as Cucur atap is used as antibacterial, antidysentery, antipyretic and diuretic agent. In Malaysia and Indonesia, they are used as an ingredient of the traditional medicine given to mothers during confinement. A three-steps infra-red (IR) macro-fingerprinting method combining conventional IR spectra, and the secondary derivative spectra with two dimensional infrared correlation spectroscopy (2D-IR) have been proved to be effective methods to examine a complicated mixture such as herbal medicines. This study investigated the feasibility of employing multi-steps IR spectroscopy in order to study the main constituents of B. frutescens and its different extracts (extracted by chloroform, ethyl acetate, methanol and aqueous in turn). The findings indicated that FT-IR and 2D-IR can provide many holistic variation rules of chemical constituents. The structural information of the samples indicated that B. frutescens and its extracts contain a large amount of flavonoids, since some characteristic absorption peaks of flavonoids, such as ∼1600cm(-1), ∼1500cm(-1), ∼1450cm(-1), and ∼1270cm(-1) can be observed. The macroscopical fingerprint characters of FT-IR and 2D-IR spectra can not only provide the information of main chemical constituents in medicinal materials and their different extracts, but also compare the components differences among the similar samples. In conclusion, the multi-steps IR macro-fingerprint method is rapid, effective, visual and accurate for pharmaceutical research. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Ultrahigh-Resolution Magnetic Resonance in Inhomogeneous Magnetic Fields: Two-Dimensional Long-Lived-Coherence Correlation Spectroscopy

    Science.gov (United States)

    Chinthalapalli, Srinivas; Bornet, Aurélien; Segawa, Takuya F.; Sarkar, Riddhiman; Jannin, Sami; Bodenhausen, Geoffrey

    2012-07-01

    A half-century quest for improving resolution in Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) has enabled the study of molecular structures, biological interactions, and fine details of anatomy. This progress largely relied on the advent of sophisticated superconducting magnets that can provide stable and homogeneous fields with temporal and spatial variations below ΔB0/B0lungs, tissue-air interfaces, surgical implants, etc., lead to fluctuations and losses of local homogeneity. A new method dubbed “long-lived-coherence correlation spectroscopy” (LLC-COSY) opens the way to overcome both inhomogeneous and homogeneous broadening, which arise from local variations in static fields and fluctuating dipole-dipole interactions, respectively. LLC-COSY makes it possible to obtain ultrahigh resolution two-dimensional spectra, with linewidths on the order of Δν=0.1 to 1 Hz, even in very inhomogeneous fields (ΔB0/B0>10ppm or 5000 Hz at 9.7 T), and can improve resolution by a factor up to 9 when the homogeneous linewidths are determined by dipole-dipole interactions. The resulting LLC-COSY spectra display chemical shift differences and scalar couplings in two orthogonal dimensions, like in “J spectroscopy.” LLC-COSY does not require any sophisticated gradient switching or frequency-modulated pulses. Applications to in-cell NMR and to magnetic resonance spectroscopy (MRS) of selected volume elements in MRI appear promising, particularly when susceptibility variations tend to preclude high resolution.

  8. Development of a hybrid broadband NIRS/diffusion correlation spectroscopy system to monitor preterm brain injury (Conference Presentation)

    Science.gov (United States)

    Rajaram, Ajay; St. Lawrence, Keith; Diop, Mamadou

    2017-02-01

    In Canada, 8% of births occur prematurely. Preterm infants weighing less than 1500g are at a high risk of neurodevelopmental impairment: 5-10% develop major disabilities such as cerebral palsy and 40-50% show other cognitive and behavioural deficits. The brain is vulnerable to periods of low cerebral blood flow (CBF) that can impair energy metabolism and cause tissue damage. There is, therefore, a need for an efficient neuromonitoring system to alert the neonatal intensive care team to clinically significant changes in CBF and metabolism, before injury occurs. Optical technologies offer safe, non-invasive, and cost-effective methods for neuromonitoring. Cerebral oxygen saturation (ScO2) can be measured by exploiting the absorption properties of hemoglobin though Near-Infrared Spectroscopy (NIRS), and Diffuse Correlation Spectroscopy (DCS) can monitor CBF by tracking red blood cells. These measures can be combined to describe metabolism, a key indicator of tissue viability. In this study we present the development and testing of a hybrid broadband NIRS/DCS neuromonitor. This system is novel in its ability to simultaneously acquire broadband NIRS and DCS signals, providing a truly real-time measure of metabolism. Narrow bandpass and notch filters have been incorporated to diminish light contamination between the two modalities, preferentially filtering out each source from the opposing detector, allowing for an accurate measure of ScO2, CBF, and metabolism. With a broadband NIRS/DCS system, a real-time measure of CBF and metabolism within the developing brain can aid clinicians in monitoring events that precede brain injury, ultimately leading to better clinical outcomes.

  9. Accuracy improvement of quantitative analysis by spatial confinement in laser-induced breakdown spectroscopy.

    Science.gov (United States)

    Guo, L B; Hao, Z Q; Shen, M; Xiong, W; He, X N; Xie, Z Q; Gao, M; Li, X Y; Zeng, X Y; Lu, Y F

    2013-07-29

    To improve the accuracy of quantitative analysis in laser-induced breakdown spectroscopy, the plasma produced by a Nd:YAG laser from steel targets was confined by a cavity. A number of elements with low concentrations, such as vanadium (V), chromium (Cr), and manganese (Mn), in the steel samples were investigated. After the optimization of the cavity dimension and laser fluence, significant enhancement factors of 4.2, 3.1, and 2.87 in the emission intensity of V, Cr, and Mn lines, respectively, were achieved at a laser fluence of 42.9 J/cm(2) using a hemispherical cavity (diameter: 5 mm). More importantly, the correlation coefficient of the V I 440.85/Fe I 438.35 nm was increased from 0.946 (without the cavity) to 0.981 (with the cavity); and similar results for Cr I 425.43/Fe I 425.08 nm and Mn I 476.64/Fe I 492.05 nm were also obtained. Therefore, it was demonstrated that the accuracy of quantitative analysis with low concentration elements in steel samples was improved, because the plasma became uniform with spatial confinement. The results of this study provide a new pathway for improving the accuracy of quantitative analysis of LIBS.

  10. [Discriminant analysis of raw milk adulterated with botanical filling material using near infrared spectroscopy].

    Science.gov (United States)

    Li, Liang; Ding, Wu

    2010-05-01

    In order to find out a fast measure method of adulterated milk based on near infrared spectroscopy, milk adulterated with plant butter, vegetable protein and starch was collected respectively. Using Fourier transform near infrared spectroscopy to scan the samples, the spectrum data were obtained. The samples were scanned in the spectral region between 4 000 and 12 000 cm(-1) by FT-NIR spectrometer with an optic fiber of 2 mm path-length and an InGaAs detector. Then all data were analyzed by principal component analysis combined with Fisher line discriminant analysis (FLDA) and partial least squares (PLS). Results show that the accumulative reliabilities of the first six components were more than 99%, so the first six components were applied as FLDA inputs and the values of the type of milk were applied as the outputs. An adulterated milk qualitative discriminant model based on Fisher line discriminant analysis was developed finally. The result indicated that the accuracy of detection of calibration samples is 97.78%. The unknown test samples were tested by this model and the correct identification rate is 94.44%. Partial least square models for detecting the content of material added to raw milk were set up with good veracity. The predictive correlation coefficient (R2) of calibration sets of milk adulterated with plant butter, vegetable protein and starch are 99.08%, 99.96% and 99.39%, respectively, while the root mean square errors of cross validation (RMSECV) of the three calibration sets are 0.304%, 0.013 5% and 0.060%, respectively. The R2 of validation sets of the three kinds of adulterated milk are 98.50%, 99.94% and 98.50%, respectively, while the root mean square errors of prediction (RMSEP) of the three validation sets are 0.323%, 0.028 8% and 0.068%, respectively. All of these suggested that near infrared spectroscopy has good potential for rapid qualitative and quantitative detection of milk adulterated with botanical filling material.

  11. Analysis of degraded papers by infrared and Raman spectroscopy for forensic purposes

    Science.gov (United States)

    Zięba-Palus, J.; Wesełucha-Birczyńska, A.; Trzcińska, B.; Kowalski, R.; Moskal, P.

    2017-07-01

    Paper being the basis of different documents is often the subject of forensic examination. Growing number of bogus or in other manner fraudulently alternated documents causes necessity of identification of individual paper sheets and discrimination between sheets being the parts of analyzed questioned document. Frequently it is necessary to distinguish between paper of the same type but of a different age. Thus, it is essential to know whether the degradation process of paper influences the possibility of differentiation between paper samples. Samples of five types of office paper from different manufacturers were artificially aged in a climatic chamber under 65% relative humidity in air at 90 °C for various periods of time up to 35 days. The conditioned samples were examined by the use of infrared and Raman spectroscopy. Three cards of each paper type were chosen for the experiment. Three different spots on each paper card were measured to assure reproducibility of the experiment in both spectroscopic methods. The possibility of differentiation between aged samples was evaluated. The 2D correlation analysis based on the Noda's method was carried out using ATR FTIR spectra as an input data for generating the correlation maps. It was found that pattern of 2D maps allow to distinguish tested paper samples, identified its components and get insight into paper degradation mechanism.

  12. Quantitative analysis and detection of adulteration in pork using near-infrared spectroscopy

    Science.gov (United States)

    Fan, Yuxia; Cheng, Fang; Xie, Lijuan

    2010-04-01

    Authenticity is an important food quality criterion. Rapid methods for confirming authenticity or detecting adulteration are increasingly demanded by food processors and consumers. Near infrared (NIR) spectroscopy has been used to detect economic adulteration in pork . Pork samples were adulterated with liver and chicken in 10% increments. Prediction and quantitative analysis were done using raw data and pretreatment spectra. The optimal prediction result was achieved by partial least aquares(PLS) regression with standard normal variate(SNV) pretreatment for pork adulterated with liver samples, and the correlation coefficient(R value), the root mean square error of calibration(RMSEC) and the root mean square error of prediction (RMSEP) were 0.97706, 0.0673 and 0.0732, respectively. The best model for pork meat adulterated with chicken samples was obtained by PLS with the raw spectra, and the correlation coefficient(R value), RMSEP and RMSEC were 0.98614, 0.0525, and 0.122, respectively. The result shows that NIR technology can be successfully used to detect adulteration in pork meat adulterated with liver and chicken.

  13. Adulteration screening of botanical materials by a sensitive and model-free approach using infrared spectroscopic imaging and two-dimensional correlation infrared spectroscopy

    Science.gov (United States)

    Chen, Jian-bo; Zhou, Qun; Sun, Su-qin

    2016-11-01

    Infrared (IR) spectroscopy is often used as a simple, fast, and green method for the adulteration screening of botanical materials for foods and herbs. However, the overlapping of absorption signals of various substances significantly decrease the sensitivity and specificity of IR spectroscopy in the detection of adulterated samples. In this research, a model-free approach is proposed for the sensitive and non-targeted screening of botanical materials adulterated by adding other plant materials. First, the spectra of the entities in the test sample are collected by near-infrared spectroscopic imaging and clustered by unsupervised pattern recognition methods. The sample may be adulterated if there are two or more clusters of the entities. Next, the entities of different clusters are characterized by mid-infrared spectroscopy to interpret the chemical compositions to determine the clustering is caused whether by adulteration or other reasons. Second derivative spectroscopy and two-dimensional correlation spectroscopy are often needed to resolve the overlapped bands mathematically or experimentally to find the characteristic signals to identify the authentic and adulterant entities. The feasibility of this approach was proved by the simulated adulterated sample of saffron. In conclusion, botanical materials adulterated by adding other plant materials can be detected by a simple, fast, sensitive, and green screening approach using IR spectroscopic imaging, two-dimensional correlation spectroscopy, and necessary chemometrics techniques.

  14. Exploring the interactions and binding sites between Cd and functional groups in soil using two-dimensional correlation spectroscopy and synchrotron radiation based spectromicroscopies.

    Science.gov (United States)

    Sun, Fusheng; Polizzotto, Matthew L; Guan, Dongxing; Wu, Jun; Shen, Qirong; Ran, Wei; Wang, Boren; Yu, Guanghui

    2017-03-15

    Understanding how heavy metals bind and interact in soils is essential for predicting their distributions, reactions and fates in the environment. Here we propose a novel strategy, i.e., combining two-dimensional correlation spectroscopy (2D COS) and synchrotron radiation based spectromicroscopies, for identifying heavy metal binding to functional groups in soils. The results showed that although long-term (23 yrs) organic fertilization treatment caused the accumulation of Cd (over 3 times) in soils when compared to no fertilization and chemical fertilization treatments, it significantly (pCOS analyses demonstrated that soil functional groups controlling Cd binding were modified by fertilization treatments, providing implications for the reduced bioavailability of heavy metals in organic fertilized soils. Furthermore, correlative micro X-ray fluorescence spectromicroscopy, electron probe micro-analyzer mapping, and synchrotron-radiation-based FTIR spectromicroscopy analysis showed that Cd, minerals, and organic functional groups were heterogeneously distributed at the micro-scale in soil colloids. Only minerals, rather than organic groups, had a similar distribution pattern with Cd. Together, this strategy has a potential to explore the interactions and binding sites among heavy metals, minerals and organic components in soil.

  15. Analysis of cross-correlations in electroencephalogram signals as an approach to proactive diagnosis of schizophrenia

    CERN Document Server

    Timashev, Serge F; Polyakov, Yuriy S; Demin, Sergey A; Kaplan, Alexander Ya

    2011-01-01

    We apply flicker-noise spectroscopy (FNS), a time series analysis method operating on structure functions and power spectrum estimates, to study the clinical electroencephalogram (EEG) signals recorded in children/adolescents (11 to 14 years of age) with diagnosed schizophrenia-spectrum symptoms at the National Center for Psychiatric Health (NCPH) of the Russian Academy of Medical Sciences. The EEG signals for these subjects were compared with the signals for a control sample of chronically depressed children/adolescents. The purpose of the study is to look for diagnostic signs of subjects' susceptibility to schizophrenia in the FNS parameters for specific electrodes and cross-correlations between the signals simultaneously measured at different points on the scalp. Our analysis of EEG signals from scalp-mounted electrodes at locations F3 and F4, which are symmetrically positioned in the left and right frontal areas of cerebral cortex, respectively, demonstrates an essential role of frequency-phase synchroniz...

  16. Photoacoustic IR spectroscopy instrumentation, applications and data analysis

    CERN Document Server

    Michaelian, Kirk H

    2010-01-01

    This invaluable and up-to-date source on instruments and applications covers everything needed to employ a technique for investigating various gases and materials, including biomaterials. It includes the latest developments in light sources, signal recovery and numerical methods. There is no other single publication that reviews the entire subject of photoacoustic infrared spectroscopy in such detail. Physicists, chemists, and spectroscopists in both academic and industrial laboratories, polymer and organic chemists, analysts in industry, forensic and government laboratories, and materials

  17. Water analysis of glass ceramics by FT-IR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nease, A B; Hale, M D; Kramer, D P

    1983-12-15

    A method for measuring water concentration in glasses has been described and the results of the study of ten batches of glasses have been tabulated. It has been shown that infrared spectroscopy is a satisfactory tool for measuring water concentration in glass ceramics. The water concentrations of ten batches of glass have been shown to differ significantly, and these variances are associated with environmental humidity and glass preparation method.

  18. Correlative Peak Interval Prediction and Analysis of Chaotic Sequences

    Directory of Open Access Journals (Sweden)

    Qun Ding

    2011-07-01

    Full Text Available The paper proposes a digital circuit design for the logistic-map module used in chaotic stream ciphers, analyzes the factors that may affect the output of the sequences, and develops a calculation method for estimating the output sequential correlative peak interval. With the respective tests using different initial values, the values of parameter u and the computational precisions, extensive experiments   have   been   carried   out.   A   formula   for calculating correlative peak interval is proposed. Moreover, the relationships among precision, parameter u and correlative peak interval is provided. To ensure the security of the plaintext which is encrypted by the output sequence of the logistic-map, a proper precision could be chosen according to the formula. It provides a theoretic basis for the actual application of the chaos cryptology. The basic theory and methods have a significant implication on the statistical analysis and practical applications of the digital chaotic sequences. A diagram that presents the relationship among precision, parameter u and correlative peak interval has been generated for analysis.

  19. Strength Reliability Analysis of Stiffened Cylindrical Shells Considering Failure Correlation

    Institute of Scientific and Technical Information of China (English)

    Xu Bai; Liping Sun; Wei Qin; Yongkun Lv

    2014-01-01

    The stiffened cylindrical shell is commonly used for the pressure hull of submersibles and the legs of offshore platforms. There are various failure modes because of uncertainty with the structural size and material properties, uncertainty of the calculation model and machining errors. Correlations among failure modes must be considered with the structural reliability of stiffened cylindrical shells. However, the traditional method cannot consider the correlations effectively. The aim of this study is to present a method of reliability analysis for stiffened cylindrical shells which considers the correlations among failure modes. Firstly, the joint failure probability calculation formula of two related failure modes is derived through use of the 2D joint probability density function. Secondly, the full probability formula of the tandem structural system is given with consideration to the correlations among failure modes. At last, the accuracy of the system reliability calculation is verified through use of the Monte Carlo simulation. Result of the analysis shows the failure probability of stiffened cylindrical shells can be gained through adding the failure probability of each mode.

  20. Correlation between Onset Oxidation Temperature (OOT and Fourier Transform Infrared Spectroscopy (FTIR for monitoring the restabilization of Recycled Low-density Polyethylene (LDPE

    Directory of Open Access Journals (Sweden)

    Adhemar Ruvolo-Filho

    2013-01-01

    Full Text Available In this work a new method was developed for monitoring the oxidative stability of restabilized and non-restabilized low-density polyethylene (LDPE during multiple extrusion cycles. The method is based on correlations between Fourier Transform Infrared spectroscopy (FTIR and Onset Oxidation Temperature (OOT. Non-linear calibration curves correlating the concentration of primary or secondary antioxidants and the OOT values were obtained.

  1. Correlation between Onset Oxidation Temperature (OOT) and Fourier Transform Infrared Spectroscopy (FTIR) for monitoring the restabilization of Recycled Low-density Polyethylene (LDPE)

    Energy Technology Data Exchange (ETDEWEB)

    Ruvolo-Filho, Adhemar; Pelozzi, Tadeu Luiz Alonso, E-mail: adhemar@power.ufscar.br [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Quimica

    2013-07-01

    In this work a new method was developed for monitoring the oxidative stability of restabilized and non-restabilized low-density polyethylene (LDPE) during multiple extrusion cycles. The method is based on correlations between Fourier Transform Infrared Spectroscopy (FTIR) and Onset Oxidation Temperature (OOT). Non-linear calibration curves correlating the concentration of primary or secondary antioxidants and the OOT values were obtained. (author)

  2. Message Correlation Analysis Tool for NOvA

    CERN Document Server

    CERN. Geneva

    2012-01-01

    A complex running system, such as the NOvA online data acquisition, consists of a large number of distributed but closely interacting components. This paper describes a generic realtime correlation analysis and event identification engine, named Message Analyzer. Its purpose is to capture run time abnormalities and recognize system failures based on log messages from participating components. The initial design of analysis engine is driven by the DAQ of the NOvA experiment. The Message Analyzer performs filtering and pattern recognition on the log messages and reacts to system failures identified by associated triggering rules. The tool helps the system maintain a healthy running state and to minimize data corruption. This paper also describes a domain specific language that allows the recognition patterns and correlation rules to be specified in a clear and flexible way. In addition, the engine provides a plugin mechanism for users to implement specialized patterns or rules in generic languages such as C++.

  3. Near-infrared spectroscopy (NIRS) analysis of major components of milk and the development of analysis instrument

    Science.gov (United States)

    Liu, Jingwei; Ji, Zhongpeng; Tian, Mi

    2014-11-01

    In this study, we introduce a new spectroscopy analysis instrument, along with applied research based on the near-infrared spectroscopy (NIRS) of the major components of milk. Firstly, we analyzed and compared the characteristics of existing near-infrared spectrometers. Then, according to the major component spectra of milk, the spectral range, spectral resolution, and other parameters of the analysis instrument were determined, followed by the construction of a spectroscopy-analysis instrument based on acousto-optic tunable filters (AOTFs). Secondly, on the basis of application requirements, we obtained spectral information from a variety of test samples. Finally, qualitative and quantitative testing of the major components of the milk samples was carried out via typical analysis methods and a mathematical model of NIRS. Thus, this study provides a technical reference for the development of spectroscopy instruments and their applied research.

  4. Microwaves spark emission spectroscopy for the analysis of cations: A simple form of atomic emission spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Zahid Hussain; Khalid Mohammed Khan; Khadim Hussain; Sadam Hussain; Shahnaz Perveen

    2011-01-01

    A novel method for the cation analysis was investigated. The analysis is based on the sparking of the salts of metals in a microwave oven after placing in a graphite cell. The graphite cell absorbs microwaves and produces high temperature which converts the salt into light emitting species. The colour of light was found to dependent on the nature of cation, however, the intensity of the emitted light was found to be depending upon the form and shape of the graphite assembly in addition to the concentration of the salt. This communication presents explanation for all these observations and for the systematic and quantitative analysis using microwave spark emission technique.

  5. The diffusion dynamics of PEGylated liposomes in the intact vitreous of the ex vivo porcine eye: A fluorescence correlation spectroscopy and biodistribution study

    DEFF Research Database (Denmark)

    Eriksen, Anne Zebitz; Brewer, Jonathan; Andresen, Thomas Lars

    2017-01-01

    correlation spectroscopy (FCS) to determine liposome diffusion coefficients in the intact vitreous (DVit) of ex vivo porcine eyes using a modified Miyake-Apple technique to minimize the disruption of the vitreous fine structure. We chose to investigate whether the zeta potential of polyethylene glycol...

  6. Translational and rotational motions of albumin sensed by a non-covalent associated porphyrin under physiological and acidic conditions: a fluorescence correlation spectroscopy and time resolved anisotropy study.

    NARCIS (Netherlands)

    Andrade, S.M.; Costa, S.M.; Borst, J.W.; Hoek, van A.; Visser, A.J.W.G.

    2008-01-01

    The interaction between a free-base, anionic water-soluble porphyrin, TSPP, and the drug carrier protein, bovine serum albumin (BSA) has been studied by time-resolved fluorescence anisotropy (TRFA) and fluorescence correlation spectroscopy (FCS) at two different pH-values. Both rotational correlatio

  7. Neural correlates of own- and other-race face recognition in children: a functional near-infrared spectroscopy study.

    Science.gov (United States)

    Ding, Xiao Pan; Fu, Genyue; Lee, Kang

    2014-01-15

    The present study used the functional Near-infrared Spectroscopy (fNIRS) methodology to investigate the neural correlates of elementary school children's own- and other-race face processing. An old-new paradigm was used to assess children's recognition ability of own- and other-race faces. FNIRS data revealed that other-race faces elicited significantly greater [oxy-Hb] changes than own-race faces in the right middle frontal gyrus and inferior frontal gyrus regions (BA9) and the left cuneus (BA18). With increased age, the [oxy-Hb] activity differences between own- and other-race faces, or the neural other-race effect (NORE), underwent significant changes in these two cortical areas: at younger ages, the neural response to the other-race faces was modestly greater than that to the own-race faces, but with increased age, the neural response to the own-race faces became increasingly greater than that to the other-race faces. Moreover, these areas had strong regional functional connectivity with a swath of the cortical regions in terms of the neural other-race effect that also changed with increased age. We also found significant and positive correlations between the behavioral other-race effect (reaction time) and the neural other-race effect in the right middle frontal gyrus and inferior frontal gyrus regions (BA9). These results taken together suggest that children, like adults, devote different amounts of neural resources to processing own- and other-race faces, but the size and direction of the neural other-race effect and associated functional regional connectivity change with increased age.

  8. Effects of surface functionalization on the adsorption of human serum albumin onto nanoparticles – a fluorescence correlation spectroscopy study

    Directory of Open Access Journals (Sweden)

    Pauline Maffre

    2014-11-01

    Full Text Available By using fluorescence correlation spectroscopy (FCS, we have studied the adsorption of human serum albumin (HSA onto Fe–Pt nanoparticles (NPs, 6 nm radius, CdSe/ZnS quantum dots (QDs, 5 nm radius and Au and Ag nanoclusters (1–4 nm radius, which are enshrouded by various water-solubilizing surface layers exposing different chemical functional groups (carboxyl, amino and both, thereby endowing the NPs with different surface charges. We have also measured the effects of modified surface functionalizations on the protein via succinylation and amination. A step-wise increase in hydrodynamic radius with protein concentration was always observed, revealing formation of protein monolayers coating the NPs, independent of their surface charge. The differences in the thickness of the protein corona were rationalized in terms of the different orientations in which HSA adsorbs onto the NPs. The midpoints of the binding transition, which quantifies the affinity of HSA toward the NP, were observed to differ by almost four orders of magnitude. These variations can be understood in terms of specific Coulombic interactions between the proteins and the NP surfaces.

  9. The Effect of a Fluorophore Photo-Physics on the Lipid Vesicle Diffusion Coefficient Studied by Fluorescence Correlation Spectroscopy.

    Science.gov (United States)

    Drabik, Dominik; Przybyło, Magda; Sikorski, Aleksander; Langner, Marek

    2016-03-01

    Fluorescence Correlation Spectroscopy (FCS) is a technique, which allows determination of the diffusion coefficient and concentration of fluorescent objects suspended in the solution. The measured parameter is the fluctuation of the fluorescence signal emitted by diffusing molecules. When 100 nm DOPC vesicles labeled with various fluorescent dyes (Fluorescein-PE, NBD-PE, Atto488 DOPE or βBodipy FL) were measured, different values of diffusion coefficients have been obtained. These diffusion coefficients were different from the expected values measured using the dynamic light scattering method (DLS). The FCS was initially developed for solutions containing small fluorescent molecules therefore the observed inconsistency may result from the nature of vesicle suspension itself. The duration of the fluorescence signal may depend on the following factors: the exposure time of the labeled object to the excitation beam, the photo-physical properties (e.g., stability) of a fluorophore, the theoretical model used for the calculations of the diffusion coefficient and optical properties of the vesicle suspension. The diffusion coefficients determined for differently labeled liposomes show that its dependence on vesicle size and quantity of fluorescent probed used for labeling was significant demonstrating that the fluorescence properties of the fluorophore itself (bleaching and/or blinking) were critical factors for a correct outcome of FCS experiment. The new, based on combined FCS and DLS measurements, method for the determination of the focal volume prove itself to be useful for the evaluation of a fluorescence dye with respect to its applicability for FCS experiment.

  10. Scanning fluorescence correlation spectroscopy as a versatile tool to measure static and dynamic properties of soft matter systems.

    Science.gov (United States)

    Nepal, Manish; Oyler-Yaniv, Alon; Krichevsky, Oleg

    2015-12-14

    We present the formalism and experimental implementation of scanning fluorescence correlation spectroscopy (SFCS) for the measurements of soft matter system structure and dynamics. We relate the SFCS function Fourier transform to the system intermediate scattering function and demonstrate how SFCS can be combined with specific labelling to measure the desired statistical and kinetic features of the system. Using DNA as a model polymer, we demonstrate the application of SFCS to measure (1) the static structure factor of the system, (2) polymer end-to-end distance distribution, and (3) polymer segmental dynamics in dilute and in dense solutions. The measured DNA end-to-end distance distributions are close to Gaussian. Implementing SFCS we obtain reliable data on segmental mean-square displacement kinetics in dense solutions, where the static FCS approach fails because of dye photobleaching. For moderate concentrations in the semidilute regime (at ∼7 overlap concentrations) segmental dynamics exhibit only weak entanglements. Both of these experimental findings are consistent with theoretical predictions of the weakness of excluded interactions in semiflexible polymers.

  11. In vivo Stability of Ester- and Ether-Linked Phospholipid-Containing Liposomes as Measured by Perturbed Angular Correlation Spectroscopy

    Science.gov (United States)

    Derksen, Johannes T.; Baldeschwieler, John D.; Scherphof, Gerrit L.

    1988-12-01

    To evaluate liposome formulations for use as intracellular sustained-release drug depots, we have compared the uptake and degradation in rat liver and spleen of liposomes of various compositions, containing as their bulk phospholipid an ether-linked phospholipid or one of several ester-linked phospholipids, by perturbed angular correlation spectroscopy. Multilamellar and small unilamellar vesicles (MLVs and SUVs), composed of egg phosphatidylcholine, sphingomyelin, distearoyl phosphatidylcholine (DSPC), dipalmitoyl phosphatidylcholine (DPPC) or its analog dihexadecylglycerophosphorylcholine (DHPC), and cholesterol plus phosphatidylserine, and containing 111In complexed to nitrilotriacetic acid, were injected intravenously in rats. Recovery of 111In-labeled liposomes in blood, liver, and spleen was assessed at specific time points after injection and the percentage of liposomes still intact in liver and spleen was determined by measurement of the time-integrated angular perturbation factor 111In of the [G22(∞ )] label. We found that MLVs but not SUVs, having DHPC as their bulk phospholipid, showed an increased resistance against lysosomal degradation as compared to other phospholipid-containing liposomes. The use of diacyl phospholipids with a high gel/liquid-crystalline phase-transition temperature, such as DPPC and DSPC, also retarded degradation of MLV, but not of SUV in the dose range tested, while the rate of uptake of these liposomes by the liver was lower.

  12. Diffuse correlation spectroscopy (DCS) study of blood flow changes during low level laser therapy (LLLT): a preliminary report

    Science.gov (United States)

    Soni, Sagar; Wang, Xinlong; Liu, Hanli; Tian, Fenghua

    2017-02-01

    Photobiomodulation with low-power, high-fluence light in the near-infrared range (600-1100nm), also known as low level laser therapy (LLLT), has been used for promoting healing of wounds, reducing pain, and so on. Understanding its physiological effect is essential for treatment optimization and evaluation. In this study, we used diffuse correlation spectroscopy (DCS) to investigate the changes of regional blood flow in skeletal muscle induced by a single session of LLLT. DCS is an emerging optical modality to probe microvascular blood flow in human tissues in vivo. We have developed a software-based autocorrelator system with the benefits such as flexibility in raw photon count data processing, portability and low cost. LLLT was administered at the human forearm with a 1064-nm, continuous-wave laser. The emitting power was 3.4 W in an area of 13.6 cm2, corresponding to 0.25W/cm2 irradiance. The emitting duration was 10 minutes. Eight healthy adults of any ethnic background, in an age range of 18-40 years old were included. The results indicate that LLLT causes reliable changes in regional blood flow. However, it remains unclear whether these changes are physiological or attributed to the heating effect of the stimulation laser.

  13. Effect of ethanol-water mixture on the structure and dynamics of lysozyme: A fluorescence correlation spectroscopy study

    Science.gov (United States)

    Chattoraj, Shyamtanu; Mandal, Amit Kumar; Bhattacharyya, Kankan

    2014-03-01

    Effect of ethanol-water mixture on the hydrodynamic radius (rH) and conformational dynamics of lysozyme has been studied by circular dichroism, emission spectra, and fluorescence correlation spectroscopy. For this purpose, the protein lysozyme is covalently labeled near the active site with a fluorescent probe, alexa 488. The ethanol molecules are sequestered near the hydrophobic tryptophan residues as indicated by the blue shift of the emission maximum of tryptophan. It is observed that both size (rH) and time constant of conformational relaxation (τR) of lysozyme oscillate with increase in ethanol concentration. The rH of the protein fluctuates from 19 Å in the native state, to a minimum of 13 Å, and a maximum of 29 Å. It is proposed that the oscillating behavior arises from competition between mutual interaction among protein, ethanol, and water. The fluorescence intensity fluctuates because of quenching of the fluorescence of the probe (alexa) by the free amino group of certain residues (e.g., tryptophan). Rate of inter-conversion (folding dynamics) between the open (fluorescent) and closed (non-fluorescent) form has been determined and is found to exhibit similar oscillation with variation in ethanol content.

  14. Non-uniformly weighted sampling for faster localized two-dimensional correlated spectroscopy of the brain in vivo

    Science.gov (United States)

    Verma, Gaurav; Chawla, Sanjeev; Nagarajan, Rajakumar; Iqbal, Zohaib; Albert Thomas, M.; Poptani, Harish

    2017-04-01

    Two-dimensional localized correlated spectroscopy (2D L-COSY) offers greater spectral dispersion than conventional one-dimensional (1D) MRS techniques, yet long acquisition times and limited post-processing support have slowed its clinical adoption. Improving acquisition efficiency and developing versatile post-processing techniques can bolster the clinical viability of 2D MRS. The purpose of this study was to implement a non-uniformly weighted sampling (NUWS) scheme for faster acquisition of 2D-MRS. A NUWS 2D L-COSY sequence was developed for 7T whole-body MRI. A phantom containing metabolites commonly observed in the brain at physiological concentrations was scanned ten times with both the NUWS scheme of 12:48 duration and a 17:04 constant eight-average sequence using a 32-channel head coil. 2D L-COSY spectra were also acquired from the occipital lobe of four healthy volunteers using both the proposed NUWS and the conventional uniformly-averaged L-COSY sequence. The NUWS 2D L-COSY sequence facilitated 25% shorter acquisition time while maintaining comparable SNR in humans (+0.3%) and phantom studies (+6.0%) compared to uniform averaging. NUWS schemes successfully demonstrated improved efficiency of L-COSY, by facilitating a reduction in scan time without affecting signal quality.

  15. Probing Temperature- and pH-Dependent Binding between Quantum Dots and Bovine Serum Albumin by Fluorescence Correlation Spectroscopy

    Directory of Open Access Journals (Sweden)

    Zonghua Wang

    2017-04-01

    Full Text Available Luminescent quantum dots (QDs with unique optical properties have potential applications in bio-imaging. The interaction between QDs and bio-molecules is important to the biological effect of QDs in vivo. In this paper, we have employed fluorescence correlation spectroscopy (FCS to probe the temperature- and pH-dependent interactions between CdSe QDs with carboxyl (QDs-COOH and bovine serum albumin (BSA in buffer solutions. The results have shown that microscopic dissociation constant K′D is in the range of (1.5 ± 0.2 × 10−5 to (8.6 ± 0.1 × 10−7 M, the Hill coefficient n is from 0.4 to 2.3, and the protein corona thickness is from 3.0 to 9.4 nm. Variable-temperature measurements have shown both negative values of ∆H and ∆S for BSA adsorption on QDs-COOH, while pH has a profound effect on the adsorption. Additional, FCS measurement QDs-COOH and proteins in whole mice serum and plasma samples has also been conducted. Finally, simulation results have shown four favored QD binding sites in BSA.

  16. Protein-surfactant interactions at hydrophobic interfaces studied with total internal reflection fluorescence correlation spectroscopy (TIR-FCS).

    Science.gov (United States)

    Sonesson, Andreas W; Blom, Hans; Hassler, Kai; Elofsson, Ulla M; Callisen, Thomas H; Widengren, Jerker; Brismar, Hjalmar

    2008-01-15

    The aim of this work was to study the dynamics of proteins near solid surfaces in the presence or absence of competing surfactants by means of total internal reflection fluorescence correlation spectroscopy (TIR-FCS). Two different proteins were studied, bovine serum albumin (BSA) and Thermomyces lanuginosus lipase (TLL). A nonionic/anionic (C12E6/LAS) surfactant composition was used to mimic a detergent formulation and the surfaces used were C18 terminated glass. It was found that with increasing surfactant concentrations the term in the autocorrelation function (ACF) representing surface binding decreased. This suggested that the proteins were competed off the hydrophobic surface by the surfactant. When fitting the measured ACF to a model for surface kinetics, it was seen that with raised C12E6/LAS concentration, the surface interaction rate increased for both proteins. Under these experimental conditions this meant that the time the protein was bound to the surface decreased. At 10 microM C12E6/LAS the surface interaction was not visible for BSA, whereas it was still distinguishable in the ACF for TLL. This indicated that TLL had a higher affinity than BSA for the C18 surface. The study showed that TIR-FCS provides a useful tool to quantify the surfactant effect on proteins adsorption.

  17. Investigation of the coplanar barrier discharge in synthetic air at atmospheric pressure by cross-correlation spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hoder, T [Department of Physical Electronics, Masaryk University, Kotlarska 2, Brno 611 37 (Czech Republic); SIra, M [Department of Physical Electronics, Masaryk University, Kotlarska 2, Brno 611 37 (Czech Republic); Kozlov, K V [Institute of Physics, Ernst-Moritz-Arndt University, Felix-Hausdorff-Str. 6, D-17489 Greifswald (Germany); Wagner, H-E [Institute of Physics, Ernst-Moritz-Arndt University, Felix-Hausdorff-Str. 6, D-17489 Greifswald (Germany)

    2008-02-07

    The barrier discharge in the coplanar arrangement operating in a single-filament mode was studied spectroscopically. The evolution of the discharge luminosity was measured by the technique of cross-correlation spectroscopy. The 1D-spatially and temporally resolved luminosities of the first negative (at 391.5 nm) and the second positive (at 337.1 nm) system of molecular nitrogen were recorded using the above-mentioned technique. A cathode-directed ionizing wave (IW) was clearly seen on the plot for radiation intensity at 337.1 nm. In addition to this, also observed was a wave of the enhanced electric field propagating over the anode. In this paper, the propagation of these waves is described and their velocities are determined. The discharge evolution is divided into three phases-the Townsend phase, the phase of the IWs propagation and the extinction phase. Since the above-mentioned luminosity distributions could be interpreted approximately as the electric field (for 391.5 nm) and the electron density (for 337.1 nm) distribution, the qualitative description of the discharge is made accordingly. All these parameters are compared with similar measurements of the volume discharge. Apart from this, an attempt to determine the reduced electric field is made according to the kinetic model.

  18. Raman spectroscopy combined with principal component analysis and k nearest neighbour analysis for non-invasive detection of colon cancer

    Science.gov (United States)

    Li, Xiaozhou; Yang, Tianyue; Li, Siqi; Wang, Deli; Song, Youtao; Zhang, Su

    2016-03-01

    This paper attempts to investigate the feasibility of using Raman spectroscopy for the diagnosis of colon cancer. Serum taken from 75 healthy volunteers, 65 colon cancer patients and 60 post-operation colon cancer patients was measured in this experiment. In the Raman spectra of all three groups, the Raman peaks at 750, 1083, 1165, 1321, 1629 and 1779 cm-1 assigned to nucleic acids, amino acids and chromophores were consistently observed. All of these six Raman peaks were observed to have statistically significant differences between groups. For quantitative analysis, the multivariate statistical techniques of principal component analysis (PCA) and k nearest neighbour analysis (KNN) were utilized to develop diagnostic algorithms for classification. In PCA, several peaks in the principal component (PC) loadings spectra were identified as the major contributors to the PC scores. Some of the peaks in the PC loadings spectra were also reported as characteristic peaks for colon tissues, which implies correlation between peaks in PC loadings spectra and those in the original Raman spectra. KNN was also performed on the obtained PCs, and a diagnostic accuracy of 91.0% and a specificity of 92.6% were achieved.

  19. Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels (Conference Presentation)

    Science.gov (United States)

    Zhao, Jianhua; Zeng, Haishan; Kalia, Sunil; Lui, Harvey

    2017-02-01

    Background: Raman spectroscopy is a non-invasive optical technique which can measure molecular vibrational modes within tissue. A large-scale clinical study (n = 518) has demonstrated that real-time Raman spectroscopy could distinguish malignant from benign skin lesions with good diagnostic accuracy; this was validated by a follow-up independent study (n = 127). Objective: Most of the previous diagnostic algorithms have typically been based on analyzing the full band of the Raman spectra, either in the fingerprint or high wavenumber regions. Our objective in this presentation is to explore wavenumber selection based analysis in Raman spectroscopy for skin cancer diagnosis. Methods: A wavenumber selection algorithm was implemented using variably-sized wavenumber windows, which were determined by the correlation coefficient between wavenumbers. Wavenumber windows were chosen based on accumulated frequency from leave-one-out cross-validated stepwise regression or least and shrinkage selection operator (LASSO). The diagnostic algorithms were then generated from the selected wavenumber windows using multivariate statistical analyses, including principal component and general discriminant analysis (PC-GDA) and partial least squares (PLS). A total cohort of 645 confirmed lesions from 573 patients encompassing skin cancers, precancers and benign skin lesions were included. Lesion measurements were divided into training cohort (n = 518) and testing cohort (n = 127) according to the measurement time. Result: The area under the receiver operating characteristic curve (ROC) improved from 0.861-0.891 to 0.891-0.911 and the diagnostic specificity for sensitivity levels of 0.99-0.90 increased respectively from 0.17-0.65 to 0.20-0.75 by selecting specific wavenumber windows for analysis. Conclusion: Wavenumber selection based analysis in Raman spectroscopy improves skin cancer diagnostic specificity at high sensitivity levels.

  20. Quantitative analysis of lead in aqueous solutions by ultrasonic nebulizer assisted laser induced breakdown spectroscopy

    Science.gov (United States)

    Zhong, Shi-Lei; Lu, Yuan; Kong, Wei-Jin; Cheng, Kai; Zheng, Ronger

    2016-08-01

    In this study, an ultrasonic nebulizer unit was established to improve the quantitative analysis ability of laser-induced breakdown spectroscopy (LIBS) for liquid samples detection, using solutions of the heavy metal element Pb as an example. An analytical procedure was designed to guarantee the stability and repeatability of the LIBS signal. A series of experiments were carried out strictly according to the procedure. The experimental parameters were optimized based on studies of the pulse energy influence and temporal evolution of the emission features. The plasma temperature and electron density were calculated to confirm the LTE state of the plasma. Normalizing the intensities by background was demonstrated to be an appropriate method in this work. The linear range of this system for Pb analysis was confirmed over a concentration range of 0-4,150ppm by measuring 12 samples with different concentrations. The correlation coefficient of the fitted calibration curve was as high as 99.94% in the linear range, and the LOD of Pb was confirmed as 2.93ppm. Concentration prediction experiments were performed on a further six samples. The excellent quantitative ability of the system was demonstrated by comparison of the real and predicted concentrations of the samples. The lowest relative error was 0.043% and the highest was no more than 7.1%.