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Spectral Differences (spectral + difference)
Selected AbstractsIn vivo detection of serine in the human brain by proton magnetic resonance spectroscopy (1H-MRS) at 7 TeslaMAGNETIC RESONANCE IN MEDICINE, Issue 4 2009Changho Choi Abstract A single-voxel proton magnetic resonance spectroscopy (1H-MRS) filtering strategy for in vivo detection of serine (Ser) in human brain at 7T is proposed. Spectral difference of coupled resonances arising from different subecho times of triple refocusing at a constant total echo time (TE) was utilized to detect the Ser multiplet and cancel the overlapping creatine (Cr) 3.92-ppm singlet via difference editing. Dependence of the Ser signal on subecho times was investigated using density-matrix simulation incorporating the slice-selective radio frequency (RF) pulses. The simulation indicated that the difference-edited Ser CH2 multiplet at ,3.96 ppm is maximized with (TE1, TE2, TE3) = (54, 78, 78) and (36, 152, 22) ms. The edited Ser peak amplitude was estimated, with both numerical and phantom analyses of the performance, as 83% with respect to 90° acquisition for a localized volume, ignoring relaxation effects. From the area ratio of the edited Ser and unedited Cr 3.03-ppm peaks, assuming identical T1 and T2 between Ser and Cr, the Ser-to-Cr concentration ratio for the frontal cortex of healthy adults was estimated to be 0.8 ± 0.2 (mean ± SD; N = 6). Magn Reson Med, 2009. © 2009 Wiley-Liss, Inc. [source] Reflectance spectra of iron meteorites: Implications for spectral identification of their parent bodiesMETEORITICS & PLANETARY SCIENCE, Issue 2 2010Edward A. CLOUTIS Powder spectra are invariably red-sloped over this wavelength interval and have a narrow range of visible albedos (approximately 10,15% at 0.56 ,m). Metal (Fe:Ni) compositional variations have no systematic effect on the powder spectra, increasing grain size results in more red-sloped spectra, and changes in viewing geometry have variable effects on overall reflectance and spectral slope. Roughened metal slab spectra have a wider, and higher, range of visible albedos than powders (22,74% at 0.56 ,m), and are also red-sloped. Smoother slabs exhibit greater differences from iron meteorite powder spectra, exhibiting wider variations in overall reflectance, spectral slopes, and spectral shapes. No unique spectral parameters exist that allow for powder and slab spectra to be fully separated in all cases. Spectral differences between slabs and powders can be used to constrain possible surface properties, and causes of rotational spectral variations, of M-asteroids. The magnitude of spectral variations between M-asteroids and rotational and spectral variability does not necessarily imply a dramatic change in surface properties, as the differences in albedo and/or spectral slope can be accommodated by modest changes in grain size (for powders), small changes in surface roughness (for slabs), or variations in viewing geometry. Since metal powders exhibit much less spectral variability than slabs, M-asteroid spectral variability requires larger changes in either powder properties or viewing geometry than for slabs for a given degree of spectral variation. [source] MUSES-C target asteroid (25143) 1998 SF36: A reddened ordinary chondriteMETEORITICS & PLANETARY SCIENCE, Issue 8 2001Richard P. BINZEL High signal-to-noise and relatively high-resolution (50 Ĺ) visible and near-infrared spectroscopic measurements obtained during this asteroid's favorable 2001 apparition reveal it to have a red-sloped S(IV)-type spectrum with strong 1 and 2 ,m absorption bands analogous to those measured for ordinary chondrite meteorites. This red slope, which is the primary spectral difference between (25143) 1998 SF36 and ordinary chondrite meteorites, is well modeled by the spectrum of 0.05% nanophase iron (npFe0) proposed as a weathering mechanism by Pieters et al. (2000). Asteroid 1998 SF36 appears to have a surface composition corresponding to that of ordinary chondrite meteorites and is most similar in spectral characteristics and modeled olivine/pyroxene content to the LL chondrite class. [source] Spectral color reproduction minimizing spectral and perceptual color differencesCOLOR RESEARCH & APPLICATION, Issue 6 2008Jérémie Gerhardt Abstract In this article, we are combining minimization criteria in the colorant separation process for spectral color reproduction. The colorant separation is performed by inverting a spectral printer model: the spectral Yule-Nielsen modified Neugebauer model. The inversion of the spectral printer model is an optimization operation in which a criterion is minimized at each iteration. The approach we proposed minimizes a criterion defined by the weighted sum of a spectral difference and a perceptual color difference. The weights can be tuned with a parameter , , [0, 1]. Our goal is to decrease the spectral difference between the original data and its reproduction and also to consider perceptual color difference under different illuminant conditions. In order to find the best , value, we initially compare a pure colorimetric criterion and a pure spectral criterion for the reproduction, then we combine them. We perform four colorant separations: the first separation will minimize the 1976 CIELAB color difference where four illuminants are tested, the second separation will minimize an equally weighted summation of 1976 CIELAB color difference with the four illuminants tested independently, the third colorant separation will minimize a spectral difference, and the fourth colorant separation will combine a weighted sum of a spectral difference and one of the two first colorimetric differences previously introduced. This last colorant separation can be tuned with a parameter in order to emphasize on spectral or colorimetric difference. We use a six colorants printer with artificial inks for our experiments. The prints are simulated by the spectral Yule-Nielsen modified Neugebauer model. Two groups of data are used for our experiments. The first group describes the data printed by our printing system, which is represented by a regular grid in colorant space of the printer and the second group describes the data which is not originally produced by our printing system but mapped to the spectral printer gamut. The Esser test chart and the Macbeth Color Checker test chart have been selected for the second group. Spectral gamut mapping of this data is carried out before performing colorant separation. Our results show improvement for the colorant separations combining a sum of 1976 CIELAB color difference for a set of illuminants and for the colorant separation combining a sum of 1976 CIELAB color difference and spectral difference, especially in the case of spectral data originally produced by the printer. © 2008 Wiley Periodicals, Inc. Col Res Appl, 33, 494,504, 2008 [source] Factors influencing the fatty acid determination in fats and oils using Fourier transform near-infrared spectroscopyEUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY, Issue 9 2007Hormoz Azizian Abstract Fourier transform near-infrared (FT-NIR) technology is matrix dependent and thus highly dependent on factors that influence the absorption spectra. Ignoring these factors during the development of FT-NIR models will affect the accuracy and reliability of the classification of fats and oils and the determination of their fatty acid (FA) composition. Four factors were studied: the temperature at which samples are scanned, differences in FA chain length and number of double bonds, and the presence of non-triacylglycerol components. The results showed that an increase in the recording temperature decreased the absorption peak intensity, but not the position. FT-NIR spectral differences were linked to variations in molecular vibrations resulting from the number of carbon atoms or double bonds in the FA. The FT-NIR method could clearly differentiate between chain lengths from 10:0 to 18:0 and numbers of double bonds from zero (18:0) to three (18:3). Contaminants in triacylglycerols altered the FT-NIR spectra, resulting in increased errors in the FA content. An increased concentration of ,-sitosterol in triolein decreased or increased the observed contents of cis9-18:1 and cis11-18:1, respectively. An FT-NIR model adjusted for the phytosterol content corrected this discrepancy. The revised FT-NIR model was successfully used to provide the accurate FA compositions of commercial sunflower oils. [source] 4- and 4,5-Substituted N -Methoxythiazole-2(3H)-thiones , Preparation,UV/Vis Spectra, and Assignment of Electronic Transitions in Comparison to N -Methoxypyridine-2(1H)-thione Using Time-Dependent Density Functional Theory CalculationsEUROPEAN JOURNAL OF ORGANIC CHEMISTRY, Issue 5 2005Jens Hartung Abstract Experimentally observed absorptions in UV/Vis spectra of N -methoxy-4-methylthiazole-2(3H)-thione, N -methoxy-5-(p -methoxyphenyl)-4-methylthiazole-2(3H)-thione, N -methoxypyridine-2(1H)-thione, and selected N -hydroxy derivatives thereof have been assigned to ,,,*-type transitions as dominating character, using the results from ab initio calculations [time-dependent density functional theory (TD)RI-BLYP/TZVPP]. Theory further predicts that electronic excitations in N -methoxythiazole-2(3H)-thiones on one side and N -meth-oxypyridine-2(1H)-thione on the other side differ significantly with respect to character and statistical weight of contributing transitions. These effects originate predominantly from contributions of the endocyclic sulfur atom onto orbital energies and shapes in thiazole-2(3H)-thiones, and may be intensified by substituents such as a p -methoxyphenyl group located in position 5. Since the majority of the calculated spectral differences between thiazole- and pyridinethiones refers to excitations of low intensity, the findings from the present study correlate with two important experimental facts: (i) Apart from minor shifts in the exact spectral location of UV/Vis absorptions, electronic spectra of N -hydroxy- or N -methoxy-substituted pyridine-2(1H)-thiones and thiazole-2(3H)-thiones are surprisingly similar in shape. (ii) N -alkoxypyridine-2(1H)-thiones and N -alkoxythiazole-2(3H)-thiones liberate upon UV/Vis excitation oxygen-centered radicals with a comparable efficiency. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) [source] A Comparative Study of Galvanic Replacement Reactions Involving Ag Nanocubes and AuCl2, or AuCl4,,ADVANCED MATERIALS, Issue 13 2008Leslie Au Galvanic replacement of Ag nanocubes with AuCl2, and AuCl4, results in morphological, compositional, and spectral differences that provide insight into the reaction mechanism by which hollow/porous gold nanostructures can be prepared for biomedical applications. [source] A coordinated approach to cutaneous wound healing: vibrational microscopy and molecular biologyJOURNAL OF CELLULAR AND MOLECULAR MEDICINE, Issue 5b 2008K. L. Andrew Chan Abstract The repair of cutaneous wounds in the adult body involves a complex series of spatially and temporally organized processes to prevent infection and restore homeostasis. Three characteristic phases of wound repair (inflammation, proliferation including re-epithelialization and remodelling) overlap in time and space. We have utilized a human skin wound-healing model to correlate changes in genotype and pheno-type with infrared (IR) and confocal Raman spectroscopic images during the re-epithelialization of excisional wounds. The experimental protocols validated as IR images clearly delineate the keratin-rich migrating epithelial tongue from the collagen-rich wound bed. Multivariate statistical analysis of IR datasets acquired 6 days post-wounding reveal subtle spectral differences that map to distinct spatial distributions, which are correlated with immunofluorescent staining patterns of different keratin types. Images computed within collagen-rich regions expose complementary spatial patterns and identify elastin in the wound bed. The temporal sequence of events is explored through a comparison of gene array analysis with confocal Raman microscopy. Our approach demonstrates the feasibility of acquiring detailed molecular structure information from the various proteins and their subclasses involved in the wound-healing process. [source] Multivariate chemometric approach to thermal solid-state FT-IR monitoring of pharmaceutical drug compoundJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 8 2008Wei Jian Tan Abstract The study of thermal-related solid-state reaction monitored by spectroscopic method needs the use of advanced multivariate chemometric approach. It is because visual inspection of spectral data on particular functional groups or spectral bands is difficult to reveal the complete physical and chemical information. The spectral contributions from various species involved in the solid-state changes are generally highly overlapping and the spectral differences between reactant and product are usually quite minute. In this article, we demonstrate the use of multivariate chemometric approach to resolve the in situ thermal-dependent Fourier-transform infrared (FT-IR) mixture spectra of lisinopril dihydrate when it was heated from 24 to 170°C. The collected FT-IR mixture spectra were first subjected to singular value decomposition (SVD) to obtain the right singular vectors. The right singular vectors were rotated into a set of pure component spectral estimates based on entropy minimization and spectral dissimilarity objective functions. The resulting pure component spectral estimates were then further refined using alternating least squares (ALS). In current study, four pure component spectra, that is, lisinopril dihydrate, monohydrate, anhydrate, and diketopiperazine (DKP) were all resolved and the relative thermal-dependent contributions of each component were also obtained. These relative contributions revealed the critical temperature for each transformation and degradation. This novel approach provides better interpretation of the pathway of dehydration and intramolecular cyclization of lisinopril dihydrate in the solid state. In addition, it can be used to complement the information obtained from differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). © 2007 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 97: 3379,3387, 2008 [source] Qualitative in situ analysis of multiple solid-state forms using spectroscopy and partial least squares discriminant modelingJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 7 2007Karin Kogermann Abstract This study used in situ spectroscopy to reveal the multiple solid-state forms that appear during isothermal dehydration. Hydrate forms of piroxicam and carbamazepine (CBZ) were investigated on hot-stage at different temperatures using near-infrared (NIR) and Raman spectroscopy combined with multivariate modeling. Variable temperature X-ray powder diffraction, differential scanning calorimetry, thermogravimetric analysis, and Karl Fisher titrimetry were used as reference methods. Partial least squares discriminant analysis (PLS-DA) was performed to qualitatively evaluate the phase transition. It was shown that the constructed PLS-DA models, where spectral differences were directly correlated to solid-state modifications, enabled differentiation between the multiple forms. Qualitative analysis revealed that during dehydration, hydrates, such as CBZ dihydrate, may go through several solid-state forms, which must be considered in quantitative model construction. This study demonstrates that in situ analysis can be used to monitor the dehydration and reveal associated solid-state forms prior to quantification. The utility of the complementary spectroscopic techniques, NIR and Raman, have been shown. © 2007 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 96: 1802,1820, 2007 [source] Insights into phase stability of anhydrous/hydrate systems: a Raman-based methodologyJOURNAL OF RAMAN SPECTROSCOPY, Issue 3 2010Mariela M. Nolasco Abstract FT-Raman spectroscopy turns out to be a powerful technique to evaluate the amount of polymorphic and pseudopolymorphic forms in crystalline samples,which is particularly relevant in pharmaceutical sciences. This paper presents a methodology that allows successful quantitative evaluation of the solid-state hydration and dehydration processes, using FT-Raman spectroscopy. All the steps required for a reliable evaluation of the hydration/dehydration process are illustrated for the caffeine system, a particularly challenging system presenting limited spectral differences between the pseudopolymorphs. The hydration process of caffeine was found to occur in a single-step process with a half-life time of ca 13 h, while the dehydration occurs through a two-step mechanism. The critical relative humidity was found to be at ca 81 and 42% for anhydrous and hydrate caffeine forms, respectively. Copyright © 2009 John Wiley & Sons, Ltd. [source] Raman spectroscopic analysis of breast cancer tissues: identifying differences between normal, invasive ductal carcinoma and ductal carcinoma in situ of the breast tissueJOURNAL OF RAMAN SPECTROSCOPY, Issue 10 2007Shazza Rehman Abstract A relatively non-destructive method employing Raman spectroscopy for the analysis of histopathological specimens is described. Raman spectroscopy has allowed qualitative analysis of the same specimen used for histopathological evaluation. Breast cancer tissues have been analysed to demonstrate the feasibility of the chemical changes taking place in the biological tissue, which can be identified precisely, and the results are reproducible. Raman analysis of tissue sections provides distinct spectra that can be used to distinguish between the nuclear grades of ductal carcinoma in situ (DCIS) and invasive ductal carcinoma (IDC) of the breast. Sixty cases of breast carcinoma including DCIS and IDC and seven cases of normal breast tissues were studied employing the Raman spectroscopic technique. This study reports for the first time spectral differences between DCIS grades. It is concluded that Raman spectroscopy can objectively distinguish between DCIS and IDC grades and is non-destructive and reproducible. It should become possible in future to use Raman spectroscopy as an informative and quantitative method suitable for classification of grades and diagnosis of breast carcinoma. Copyright © 2007 John Wiley & Sons, Ltd. [source] Sleep electroencephalogram in children with a parental history of alcohol abuse/dependenceJOURNAL OF SLEEP RESEARCH, Issue 1p2 2010LEILA TAROKH Summary We examined the sleep electroencephalogram (EEG) in 9- and 10-year-old children with (PH+) and without (PH,) a parental history of alcohol abuse/dependence to determine whether sleep disturbances associated with alcohol precede the onset of alcohol use. Participants slept on a fixed sleep schedule that ensured at least a 10-h time in bed for 1 week before an adaptation and baseline night. Data were collected in a four-bed sleep research laboratory. Thirty healthy boys and girls aged 9 or 10 years were classified as either PH+ or PH, based on DSM-IV criteria applied to structured parental interviews. All-night polysomnography was performed, sleep data were scored visually in 30-s epochs, and EEG power spectra were calculated for each epoch. All-night EEG spectra were calculated for rapid eye movement (REM) and non-REM (NREM) sleep, and cycle-by-cycle spectra were calculated for NREM sleep. The two groups did not differ on any sleep stage variable. All-night analyses revealed normalized power in the delta band and spindle range were lower in PH+ children. Within NREM sleep cycles PH+ children exhibited less normalized power in the delta band and spindle range compared with PH, children. This effect occurred in the first four cycles and was most pronounced in the first sleep cycle of the night. We found no signs of sleep disruption in sleep stages for PH+ children. Sleep EEG spectral differences, however, suggest that certain circuits responsible for ,protecting' sleep may be impaired in PH+ children, which may lead to disrupted sleep later in life. [source] Spectral reflectance-compositional properties of spinels and chromites: Implications for planetary remote sensing and geothermometryMETEORITICS & PLANETARY SCIENCE, Issue 4 2004Edward A. Cloutis These two groups of minerals are spectrally distinct, which relates largely to differences in the types of major cations present. Both exhibit a number of absorption features in the 0.3,26 ,m region that show systematic variations with composition and can be used to quantify or constrain certain compositional parameters, such as cation abundances, and site occupancies. For spinels, the best correlations exist between Fe2+ content and wavelength positions of the 0.46, 0.93, 2.8, Restrahelen, 12.3, 16.2, and 17.5 ,m absorption features, Al and Fe3+ content with the wavelength position of the 0.93 ,m absorption feature, and Cr content from the depth of the absorption band near 0.55 ,m. For chromites, the best correlations exist between Cr content and wavelength positions of the 0.49, 0.59, 2, 17.5, and 23 ,m absorption features, Fe2+ and Mg contents with the wavelength position of the 1.3 ,m absorption feature, and Al content with the wavelength position of the 2 ,m absorption feature. At shorter wavelengths, spinels and chromites are most readily distinguished by the wavelength position of the absorption band in the 2 ,m region (<2.1 ,m for spinels, >2.1 ,m for chromite), while at longer wavelengths, spectral differences are more pronounced. The importance of being able to derive compositional information for spinels and chromites from spectral analysis stems from the relationship between composition and petrogenetic conditions (pressure, temperature, oxygen fugacity) and the widespread presence of spinels and chromites in the inner solar system. When coupled with the ability to derive compositional information for mafic silicates from spectral analysis, this opens up the possibility of deriving petrogenetic information for remote spinel- and chromite-bearing targets from analysis of their reflectance spectra. [source] Vesta, Vestoids, and the howardite, eucrite, diogenite group: Relationships and the origin of spectral differencesMETEORITICS & PLANETARY SCIENCE, Issue 6 2001T. H. Burbine All of the measured small asteroids (except for 2579 Spartacus) have reflectance spectra consistent with surface compositions similar to eucrites and howardites and consistent with all being derived from Vesta. None of the observed asteroids have spectra similar to diogenites. We find no spectral distinction between the 15 objects tabulated as members of the Vesta dynamical family and 6 of the 7 sampled "non-family" members that reside just outside the semi-major axis (a), eccentricity (e), and inclination (i) region of the family. The spectral consistency and close orbital (a-e-i) match of these "non-family" objects to Vesta and the Vesta family imply that the true bounds of the family extend beyond the subjective cut-off for membership. Asteroid 2579 Spartacus has a spectrum consistent with a mixture of eucritic material and olivine. Spartacus could contain olivine-rich material from Vesta's mantle or may be unrelated to Vesta altogether. Laboratory measurements of the spectra of eucrites show that samples having nearly identical compositions can display a wide range of spectral slopes. Finer particle sizes lead to an increase in the slope, which is usually referred to as reddening. This range of spectral variation for the best-known meteoritic analogs to the Vestoids, regardless of whether they are actually related to each other, suggests that the extremely red spectral slopes for some Vestoids can be explained by very fine-grained eucritic material on their surfaces. [source] Native Fluorescence Spectroscopy of Blood Plasma in the Characterization of Oral Malignancy,PHOTOCHEMISTRY & PHOTOBIOLOGY, Issue 2 2003S. Madhuri ABSTRACT Native fluorescence characteristics of blood plasma were studied in the visible spectral region, at two different excitation wavelengths, 405 and 420 nm, to discriminate patients with different stages of oral malignancy from healthy subjects. The fluorescence spectra of blood plasma of oral malignant subjects exhibit characteristic spectral differences with respect to normal subjects. Different ratios were calculated using the fluorescence intensity values at those emission wavelengths that give characteristic spectral features of each group of experimental subjects studied. These fluorescence intensity ratios were used as input variables for a multiple linear discriminant analysis across different groups. Leave-one out cross-validation was used to check the reliability of each discriminant analysis performed. The discriminant analysis performed across normal and oral cancerous subjects classified 94.7% of the original grouped cases and 93.7% of the cross-validated grouped cases. A classification algorithm was developed on the basis of the score of the discriminant functions (discriminant score) resulted in the analyses. The diagnostic potentiality of the present technique was also estimated in the discrimination of malignant subjects from normal and nonmalignant diseased subjects such as liver diseases. In the discriminant analysis performed across the three groups, normal, oral malignancy (including early and advanced stages) and liver diseases, 99% of the original grouped cases and 95.9% of the cross-validated grouped cases were correctly classified. Similar analysis performed across normal, early stage of oral malignancy, advanced oral malignancy and liver diseases correctly classified 94.9% of the original grouped cases and 91.8% of the cross-validated grouped cases. [source] Integral field spectrophotometry of gravitationally lensed QSOs with PMASASTRONOMISCHE NACHRICHTEN, Issue 2 2004L. Wisotzki Abstract We present spatially resolved spectrophotometric observations of multiply imaged QSOs, using the Potsdam Multi-Aperture Spectrophotometer (PMAS), with the intention to search for spectral differences between components indicative of either microlensing or dust extinction. For the quadruple QSO HE 0435,1223 we find that the continuum shapes are indistinguishable, therefore differential extinction is negligible. The equivalent widths of the broad emission lines are however significantly different, and we argue that this is most likely due to microlensing. Contrariwise, the two components of the well-known object UM 673 have virtually identical emission line properties, but the continuum slopes differ significantly and indicate different dust extinction along both lines of sight. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Complex biopolymeric systems at stalk/epicuticular wax plant interfaces: A near infrared spectroscopy study of the sugarcane exampleBIOPOLYMERS, Issue 8 2009Deborah E. Purcell Abstract Naturally occurring macromolecules present at the epicuticular wax/stalk tissue interface of sugarcane were investigated using near infrared spectroscopy (NIRS). Investigations of water, cellulose, and wax-cellulose interrelationships were possible using NIRS methods, where in the past many different techniques have been required. The sugarcane complex interface was used as an example of typical phenomena found at plant leaf/stalk interfaces. This detailed study showed that sugarcane cultivars exhibit spectral differences in the CHn, water OH, and cellulose OH regions, reflecting the presence of epicuticular wax, epidermis, and ground tissue. Spectrally complex water bands (5276 cm,1 and 7500,6000 cm,1) were investigated via freeze-drying experiments which revealed sequentially a complex band substructure (7500,6000 cm,1), a developing weak H-bonding system (,7301 cm,1), and strong H-bonding (,7062 cm,1) assigned to water,cellulose interactions. Principal component analysis techniques clarified complex band trends that developed during the desorption experiment. Bands from wax-free stalk were minimized in the 4327,4080 cm,1 region (CHn vibrational modes associated with long chain fatty compounds), while bands from the stalk tissue (particularly lignin and moisture) became more pronounced. This work is a comprehensive guide to similar studies by scientists involved in a variety of plant and fiber research fields. © 2009 Wiley Periodicals, Inc. Biopolymers 91: 642,651, 2009. This article was originally published online as an accepted preprint. The "Published Online" date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com [source] | |||||||||||||||||||