Gene/Protein Disease Symptom Drug Enzyme Compound
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Glycine picrate (GP), an organic material, was synthesized and successfully grown by solution growth method. Cell parameters of the grown crystals were obtained from the single crystal X-ray diffraction analysis and the presence of functional groups was identified by FTIR study. Its optical properties were examined by UV-vis-NIR analysis, which shows that the crystal is transparent between the wavelengths 400 nm and 1000 nm. Thermal analysis carried out for the glycine picrate reveals that the crystal exhibits a single sharp weight loss at 214 degrees C. The fluorescence spectrum of glycine picrate was recorded. The Vicker's microhardness values were measured for the grown crystal.
Spectrochim Acta A Mol Biomol Spectrosc 2008 Nov 15
PMID:Growth and characterization of glycine picrate single crystal. 2004 56

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 degrees 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.
Spectrochim Acta A Mol Biomol Spectrosc 2008 Dec 15
PMID:Structure analysis of aromatic medicines containing nitrogen using near-infrared spectroscopy and generalized two-dimensional correlation spectroscopy. 1846 91

Three Ni silicate-bearing pimelite, nepouite and pecoraite minerals, from Australia have been investigated by UV-vis-NIR spectroscopy to study the effect of Ni-Mg substitution. The observation of three major absorption bands at 9205-9095, 15,600-15,190 and 26,550-25,660 cm(-1) are the characteristic features of Ni(2+) in sixfold coordination. The effect of cation substitution like Mg(2+) for Ni(2+) on band shifts in electronic and vibrational spectra enable the distinction between the Ni-bearing silicates.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Jan
PMID:Characterisation of Ni silicate-bearing minerals by UV-vis-NIR spectroscopy. Effect of Ni substitution in hydrous Ni-Mg silicates. 1867 95

The characterisation of red mud has been studied by diffuse reflectance spectroscopy in the UV-vis-NIR region (DRS). For the first time the ferric ion responsible for the bands has been identified from electronic spectroscopy. It contains valuable amounts of oxidised iron (Fe(3+)) and aluminium hydroxide. The NIR peak at around 11,630 cm(-1) (860 nm) with a split of two components and a pair of sharp bands near 500 nm (20000 cm(-1)) in the visible spectrum are attributed to Fe(3+) ion in distorted sixfold coordinations. The observation of identical spectral patterns (both electronic and vibrational spectra) of red mud before and after seawater neutralisation (SWN) confirmed that there is no effect of seawater neutralisation on structural cation substitutions such as Al(3+), Fe(3+), Fe(2+), Ti(3+), etc.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Jan
PMID:Characterisation of red mud by UV-vis-NIR spectroscopy. 1869 65

A novel organic nonlinear optical crystal ninhydrin having good optical quality was grown by solution technique using aqua solution. The quality of the crystal was also examined by high-resolution X-ray diffraction study. Solubility studies were made at different temperatures. Functional groups present in the grown material were identified from the vibrational frequencies of recorded FTIR spectrum. Transmittance of the crystal was recorded using the UV-vis-NIR spectrophotometer. From the thermal analysis it was observed that the material exhibits single sharp melting point. The fluorescence spectrum of ninhydrin was recorded. The Vicker's microhardness values were measured for the grown crystal. Second harmonic generation conversion efficiency estimated using Kurtz and Perry method is about five times that of KDP.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Jan
PMID:Growth of ninhydrin single crystal and its characterization. 1872 88

In the present study, the possible difference in visible and near-infrared (Vis-NIR) spectra of plasma in psychiatric patients compared to healthy control subjects was investigated. Mean Vis-NIR spectra of 60 psychiatric patients showed several specific peaks in the 630- to 930-nm region. Principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA) were applied to manifest the spectral characteristics of each group. The PCA and SIMCA models demonstrated successful discrimination of the two groups using a score plot of the third versus fourth principal component and a Coomans plot, respectively. The PCA loadings were generally consistent with the discriminating power of the SIMCA model, indicating a specific pattern of Vis-NIR spectra in the plasma of psychiatric patients. The specific pattern possibly indicates altered superoxide, amine, and primary and secondary amides in plasma and may provide a possible indicator for the diagnosis of heterogeneous psychiatric disorders. This is the first step toward a clinical tool which has the potential to be applied in the diagnosis of psychiatric disease. Yet, there remain obstacles to its practical usage.
Int J Mol Med 2008 Oct
PMID:Visible and near-infrared spectral changes in plasma of psychiatric patients. 1881 59

Descloizite mineral originated from Grootfontein, South West Africa, is used in the present work. The chemical analysis of this mineral reveals the presence of V(2)O(5)=20.94 wt%, CuO=0.45 wt%, FeO in traces. An EPR study of sample confirms the presence of VO(II) and Fe(III). Optical absorption spectrum of descloizite indicates that VO(II) is present in distorted octahedral environment. NIR results are due to water fundamentals.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Feb
PMID:Spectroscopic investigations of descloizite. 1901 Jul 19

Amino acid family crystals exhibit excellent nonlinear optical and electro optical properties. l-Ornithine monohydrochloride single crystal, belongs to the amino acid group, was grown by the slow evaporation solution growth technique at room temperature. The grown crystals were characterized by single crystal and powder X-ray diffraction analysis, Fourier transform infrared (FTIR) spectroscopy, TGA, DTA and DSC analyses. UV-vis-NIR spectrum shows excellent transmission in the UV, visible and NIR region (300-1600nm). The mechanical properties of grown crystals were studied using Vickers microhardness tester. Its second harmonic generation efficiency was tested using Nd:YAG laser and is 1.25 times that of KDP.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Mar
PMID:Crystal growth, structural, optical, mechanical and thermal properties of a new nonlinear optical single crystal: L-Ornithine monohydrochloride. 1904 23

High refractive index (RI) glasses prepared from local quartz sand and compounds of heavy elements, such as, barium carbonate, lead oxide, and bismuth oxide as major ingredients were investigated using Raman spectroscopy. The results showed changes in glass structures of different doping elements, namely, Ba, Pb, and Bi. Refractive indices, densities, and UV-vis-NIR spectra of the glass samples were also measured. The Raman spectroscopy can be used to investigate and/or identify heavy glasses, local ancient glasses as well as glass jewelry.
Spectrochim Acta A Mol Biomol Spectrosc 2009 Aug
PMID:Raman spectroscopic investigation on high refractive index glasses prepared from local quartz sand. 1908 Dec 91

An affordable and portable machine is required for the practical use of visible and near-infrared (Vis-NIR) spectroscopy. A portable fruit tester comprising a Vis-NIR spectrophotometer was modified for use in the transmittance mode and employed to quantify triglyceride levels in serum in combination with a chemometric analysis. Transmittance spectra collected in the 600- to 1100-nm region were subjected to a partial least-squares regression analysis and leave-out cross-validation to develop a chemometrics model for predicting triglyceride concentrations in serum. The model yielded a coefficient of determination in cross-validation (R2VAL) of 0.7831 with a standard error of cross-validation (SECV) of 43.68 mg/dl. The detection limit of the model was 148.79 mg/dl. Furthermore, masked samples predicted by the model yielded a coefficient of determination in prediction (R2PRED) of 0.6856 with a standard error of prediction (SEP) and detection limit of 61.54 and 159.38 mg/dl, respectively. The portable Vis-NIR spectrophotometer may prove convenient for the measurement of triglyceride concentrations in serum, although before practical use there remain obstacles, which are discussed.
Int J Mol Med 2009 Jan
PMID:Portable visible and near-infrared spectrophotometer for triglyceride measurements. 1908 9


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