Showing papers in "Journal of Molecular Structure in 2004"

TL;DR: It was found that the hydroxyls substituted on aromatic ring of the drugs play an important role in the changes of protein's secondary structure after interaction with the three drugs.

TL;DR: In this paper, the interaction of quercetin, rutin, hyperin, and baicalin with human serum albumin (HSA) was studied, and the effect of various metal ions on the binding constants of these compounds with HSA was also studied.

TL;DR: In this article, the surface state of optically pure polydisperse TiO2 (anatase and rutile) was determined by infra-red (IR) spectroscopy analysis in the temperature range of 100 −453 K.

TL;DR: In this article, the authors performed normal coordinate analysis with the DFT force field corrected by a recommended set of scaling factors yielding fairly good agreement between observed and calculated frequencies, especially with the higher level basis set.

TL;DR: In this article, the experimental evidence relating to blue-shifting hydrogen bonding, and the theoretical interpretations which have been advanced, are critically reviewed with the aim of answering the question posed in the title.

TL;DR: In this article, different cellulosic materials were treated with different extraceller microbial enzymes, and the variation of supramolecular structure was found to wide variations in conformation caused by the change of the hydrogen bonding energy.

TL;DR: In this paper, the effect of substituents on protonation of ZnPc derivatives with axial ligands was studied with respect to photobleaching, fluorescence and singlet oxygen quantum yields.

TL;DR: In this paper, the three-dimensional bimetallic oxide hybrid material [{Cu2(tpyrpyz)2{ζ-Mo8O26}]·7H2O (1·7HO2O) was constructed from n2n+ cationic polymer chains linked through octamolybdate clusters.

TL;DR: In this article, the Fourier transform infrared and Raman spectra of the struvite analogue, hexagonal magnesium caesium phosphate hexahydrate, MgCsPO4·6H2O (hP50) and of its partially deuterated analogues were recorded from room temperature (RT) down to the boiling temperature of liquid nitrogen (LNT).

TL;DR: In this paper, the binding of kaempferol with bovine serum albumin (BSA) was investigated at three temperatures, 296, 310 and 318 K, by the fluorescence, circular dichroism (CD) and Fourier transform infrared spectroscopy (FT-IR) at pH 7.40.

TL;DR: In this article, the authors obtained the Raman spectra from pure water and sodium halides solutions and deconvolved them with five Gaussian components that their center frequencies are 3051, 3233, 3393, 3511 and 3628 cm−1, respectively.

TL;DR: In this article, surface-enhanced Raman scattering (SERS) spectroscopy was employed to characterise different drugs and some degradation products contained in bio-matrices after separation by HPLC.

TL;DR: In this article, a novel organic ligand, 6-diphenylamine carbonyl 2-pyridine carboxylic acid (HDPAP), and corresponding lanthanide complexes, tris(6-dimethyl formamide dilute solution determined at 77 K) have been designed and synthesized.

TL;DR: Theoretical methods have been used to study the proper and improper hydrogen bonds, considering the hydrogen bond length, interaction energy, and charge transfer, for some hydrogen-bonded complexes as discussed by the authors.

TL;DR: In this paper, the authors give some examples of using high-pressure techniques to study hydrogen bond networks in molecular crystals and show that they can be used to study a variety of problems.

TL;DR: A series of potential nonlinear optical (NLO) compounds, (−OH) and (−Cl) substituted derivatives of salicylaldimine-based ligands 1−6 (Fig. 2), was designed and synthesized as discussed by the authors.

TL;DR: In this paper, infrared (IR) absorption spectra over the 800-7800 cm−1 region of the cryogenic parahydrogen (pH2) solids doped with H2O, D2O and HDO molecules are presented.

TL;DR: In this article, a 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine (C15H14O2NCl) has been synthesized and characterized by elemental analysis, X-ray analysis, IR, 1H-NMR, and UV-Visible spectroscopy.

TL;DR: In this paper, the tautomeric equilibrium due to proton transfer is compared in a series of anils of 2-hydroxynaphthalene-1-carbaldehyde and azo derivatives of 2naphthol.

TL;DR: In this paper, a comprehensive microstructure analysis of PMMA based on the combination of one-dimensional and two-dimensional (TOCSY, HSQC, and HMBC) NMR experiments is reported.

TL;DR: In this article, the molecular organization and morphology of vacuum deposited thin films of tris (8-hydroxyquinoline) aluminum (Alq3) from metal-organic planar light-emitting nanocomposites consisting of gold island films and VD Alq3 film were studied.

TL;DR: In this paper, empirical corrections for anharmonic ground-state vibrations of hydrogen and deuterium in the hydrogen bridges A-L⋯B, L=H, D are introduced into the geometric hydrogen bond correlation analysis based on the empirical Pauling valence bond orders.

TL;DR: In this article, the Judd-Ofelt theory was applied to evaluate the intensity parameters of trivalent dysprosium doped lithium niobate crystal Dy:LiNbO3 at various temperatures.

TL;DR: In this paper, the skeletal motions contributing to the reaction path of the ultrafast excited state intramolecular proton transfer (ESIPT) are determined directly from time resolved measurements.

TL;DR: The molecular structure of the mineral andersonite, a uranyl tricarbonates, has been studied by Raman microscopy at 298 and 77 K and ATR infrared spectroscopy.

TL;DR: In this paper, the authors propose a classification of different VRI events: valley bifurcation, ridge bifurbation, and the mixed case in between, and chemical implications of the different cases are discussed.

TL;DR: In this article, two blue luminescent complexes, Cd(bbp)Cl2 (1) and In(bp)cl2(H2O) (2) (bbp=2, 6-bis(benzimidazolyl)pyridine) were synthesized and characterized by X-ray single crystal structure analyses.

TL;DR: In this paper, a low-temperature NMR spectra of 10 complexes exhibiting strong OHN hydrogen bonds formed by 15 N-labeled collidine and different proton donors, partially deuterated in mobile proton sites, have been observed by lowtemperature spectroscopy using CDF3/CDF2Cl mixture as polar aprotic solvent.

TL;DR: In this paper, a simple rotor synchronized echo sequence combined with fast 1 H-MAS echo spectroscopy was used to determine the chemical shift of the proton in the hydrogen bond.

TL;DR: In this article, the main goal was to determine how the conformations depend on a dopant, solvent and a polymer matrix in polyaniline blends with classic polymers such as poly(methyl methacrylate), polystyrene, cellulose derivatives, polyamides, etc.