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31.
Nicolae Leopold Simona CîntÎ‐Pînzaru Lszl Szab Daniela Ilean Vasile Chi Onuc Cozar Wolfgang Kiefer 《Journal of Raman spectroscopy : JRS》2010,41(3):248-255
Conjugate acid–base forms of the drug metoclopramide were investigated by Raman spectroscopy in aqueous solutions and by surface‐enhanced Raman scattering (SERS), when the molecules were adsorbed on colloidal silver surfaces. Raman spectra were recorded at pH values below 8, metoclopramide being poorly water soluble at higher pH values. The SERS spectra of metoclopramide were recorded in the 3–11 pH range, even in spite of its low solubility at basic pH values. The Raman and SERS spectra were assigned by means of density functional theory (DFT) calculations. By monitoring several SERS marker bands, the protonated, neutral or the coexistence of both molecular species adsorbed on the colloidal silver particles could be evidenced. The adsorbate orientation was deduced to be perpendicular to the metal surface for the protonated molecular species and tilted for the neutral metoclopramide molecular species. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
32.
Piero Bassanini Daniela Mansutti 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》1986,37(6):849-858
Summary The effects of transverse gravity on steady flow past a split plate are investigated, by adopting the wake model proposed in the preceding paper (I). The existence and uniqueness of the solution as well as the convergence of an iteration process involving the free streamlines are proved for large Froude numbers by means of the Banach contraction mapping principle using Lipschitz norms.
Sunto Si studiano gli effetti dovuti ad un campo di gravità uniforme trasversale sul flusso con scia attorno ad un profilo sottile con spoiler usando un modello proposto nel precedente lavoro (I). Si dimostra l'esistenza, unicità, e la convergenza di un procedimento iterativo sulle linee di corrente libere, per grandi numeri di Froude, mediante il principio di contrazione in spazi di Banach.相似文献
33.
Michael V. Turturro Daniela María Vélez Rendón Fouad Teymour Georgia Papavasiliou 《大分子反应工程》2013,7(2):107-115
Poly(ethylene glycol) diacrylate (PEGDA) hydrogels are extensively used as scaffolds in tissue engineering. The ability to spatially control hydrogel properties is critical for designing scaffolds that direct cell behavior and tissue regeneration. To this end, we have recently developed a polymerization technique, perfusion‐based frontal photopolymerization, to generate tunable gradients in PEG hydrogels. This study explores the effects of polymerization conditions on the velocity of the propagating front and its influence on gradients in hydrogel swelling. Alterations in photoinitiator perfusion rate result in the largest variations in frontal velocity and in the magnitude of the swelling gradient among all polymerization conditions investigated.
34.
We present a method to build potential energy surfaces with the correct permutational symmetry of identical atoms. It is explained and applied to an A $_2$ B $_2$ molecular system. This method allows us to use different reference geometries, which are often needed in large molecules. 相似文献
35.
36.
Three types of industrial poly (ester urethane) elastomers were studied by Curie–point pyrolysis–gas chromatography/Fourier–Transform infrared spectrometry (Py–GC/FTIR) with a maximum pyrolysis temperature of 973 K. The samples chosen were the Urepans 600 and 641 from Bayer and Elastollan C 78 A from BASF/Elastogran. The poly(ester urethane) elastomers are composed of three units: a polyesterdiol, a short chain diol and a diisocyanate. Py–GC/FTIR allows a rapid and unambiguous identification of the polymer chains by key fragments. 相似文献
37.
Daniela Babusca Ana Cezarina Morosanu Dan Gheorghe Dimitriu Corina Cheptea 《Molecular Crystals and Liquid Crystals》2020,698(1):87-97
AbstractThree iso-quinolinium ylids are studied by visible electron absorption spectroscopy from the point of view of their interactions with solvent molecules. The quantum mechanical calculations with Spartan 14 Program and solvatochromism of the intramolecular charge transfer visible absorption band of the studied molecules emphasized the prevalence of universal orientation-induction interactions in aprotic solvents and additionally the presence of hydrogen bond between the ylid molecules and the hydroxyl groups of the solvent molecules. The contribution of each type of interactions in the studied solutions is finally established by a multilinear regression applied to solvatochromic data. 相似文献
38.
Mario Olivieri Gianluca Spiteri Jessica Brandi Daniela Cecconi Marina Fusi Giovanna Zanoni Corrado Rizzi 《Molecules (Basel, Switzerland)》2022,27(4)
Wheat allergens are responsible for symptoms in 60–70% of bakers with work-related allergy, and knowledge, at the molecular level, of this disorder is progressively accumulating. The aim of the present study is to investigate the panel of wheat IgE positivity in allergic Italian bakers, evaluating a possible contribution of novel wheat allergens included in the water/salt soluble fraction. The water/salt-soluble wheat flour proteins from the Italian wheat cultivar Bolero were separated by using 1-DE and 2-DE gel electrophoresis. IgE-binding proteins were detected using the pooled sera of 26 wheat allergic bakers by immunoblotting and directly recognized in Coomassie stained gel. After a preparative electrophoretic step, two enriched fractions were furtherly separated in 2-DE allowing for detection, by Coomassie, of three different proteins in the range of 21–27 kDa that were recognized by the pooled baker’s IgE. Recovered spots were analyzed by nanoHPLC Chip tandem mass spectrometry (MS/MS). The immunodetected spots in 2D were subjected to mass spectrometry (MS) analysis identifying two new allergenic proteins: a glucose/ribitol dehydrogenase and a 16.9 kDa class I heat shock protein 1. Mass spectrometer testing of flour proteins of the wheat cultivars utilized by allergic bakers improves the identification of until now unknown occupational wheat allergens. 相似文献
39.
Vlastimil Matějec Miroslav Chomát Miloš Hayer Ivan Kašík Daniela Berková Fethi Abdelmalek Nicole Jaffrezic-Renault 《Czechoslovak Journal of Physics》1999,49(5):883-888
The paper summarizes results achieved in the Institute of Radio Engineering and Electronics in the field of investigation
and fabrication of novel fiber-optic structures for evanescent-wave chemical sensing. Several approaches for increasing the
evanescent-wave sensitivity of multimode silica optical fibers to gaseous and liquid chemicals are shown. These approaches
make use of the decrease of the core diameter in sectorial and capillary sectorial fibers, modification of trajectories of
optical rays in the cores of inverted-graded-index fibers, tailoring of the refractive index of porous layers applied on silica
cores, an output mode filter preventing the detection of rays propagating at low axial angles or fibers bent in single or
multiple turns.
Presented at the 1st Czech-Chinese Workshop “Advanced Materials for Optoelectronics”, Prague, Czech Republic, June 13–17,
1998.
This work was supported by the Grant Agency of the Czech Republic (projects No. 102/96/0939 and No. 102/98/1358) and by joint
project No. 4104 of AS CR and CNRS, France. 相似文献
40.
Daniela Cappello Denis A. B. Therien Prof. Dr. Viktor N. Staroverov Prof. Dr. François Lagugné-Labarthet Prof. Dr. Joe B. Gilroy 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(23):5994-6006
We develop the chemistry of boron difluoride hydrazone dyes (BODIHYs) bearing two aryl substituents and explore their properties. The low-energy absorption bands (λmax=427–464 nm) of these dyes depend on the nature of the N-aryl groups appended to the BODIHY framework. Electron-donating and extended π-conjugated groups cause a redshift, whereas electron-withdrawing groups result in a blueshift. The title compounds were weakly photoluminescent in solution and strongly photoluminescent as thin films (λPL=525–578 nm) with quantum yields of up to 18 % and lifetimes of 1.1–1.7 ns, consistent with the dominant radiative decay through fluorescence. Addition of water to THF solutions of the BODIHYs studied causes molecular aggregation which restricts intramolecular motion and thereby enhances photoluminescence. The observed photoluminescence of BODIHY thin films is likely facilitated by a similar molecular packing effect. Finally, cyclic voltammetry studies confirmed that BODIHY derivatives bearing para-substituted N-aryl groups could be reversibly oxidized (Eox1=0.62–1.02 V vs. Fc/Fc+) to their radical cation forms. Chemical oxidation studies confirmed that para-substituents at the N-aryl groups are required to circumvent radical decomposition pathways. Our findings provide new opportunities and guiding principles for the design of sought-after multifunctional boron difluoride complexes that are photoluminescent in the solid state. 相似文献