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排序方式: 共有377条查询结果,搜索用时 31 毫秒
1.
Reactions of the hydrated electron, H atoms, 2-propanol, and methanol radicals with the TiO2 nano-particles have been studied either directly or by competition kinetics. The radicals were produced by radiolysis of 2-propanol, t-butanol, or methanol aqueous solutions in acid pH's. The reactions involve electron injection to the conduction band. As expected, the t-butanol radical is inert towards TiO2 under our conditions, while the other reducing radicals react with TiO2. The reactivity decreases in the order: eaq−>H>CH3COHCH3>CH2OH. Two TiO2 nanocrystallite sizes, with average diameters of 1.0 and 4.7 nm were compared. For equal concentrations (in terms of TiO2 molecules), the rate of electron injection shows relatively little dependency on particle size. The rates of interfacial electron transfer and transfer coefficient are also reported. 相似文献
2.
Agnes Kurucz 《Algebra Universalis》2002,47(4):409-424
We show that in many cases the decision problems for varieties of cylindric algebras are much harder than those for the corresponding relation algebra reducts. We also give examples of varieties of cylindric and relation algebras which are algorithmically more complicated than the subvarieties of their representable algebras. 相似文献
3.
Szantai E Ronai Z Szilagyi A Sasvari-Szekely M Guttman A 《Journal of chromatography. A》2005,1079(1-2):41-49
The investigation of the genetic background and phenotype structures of complex diseases, such as cardiovascular or psychiatric disorders and tumors, is one of the most scrutinized fields of the post genomic era. Besides the multiplex analysis of genetic markers and polymorphisms throughout the whole genome, more and more attention is focused on the interaction between the etiological factors of these traits. Haplotype determination, rather than multiplex genotyping seems to be one of the first building blocks of this endeavor. This review focuses on the importance and theoretical background of haplotyping, and summarizes the recent examples of novel and emerging haplotyping techniques by capillary gel electrophoresis based DNA fragment analysis, a powerful tool for the examination of the inheritance of complex traits. 相似文献
4.
Agnes G. Nagy 《Journal of organometallic chemistry》1985,291(3):335-340
Polarizations, polarization ranges and ratios of polarization ranges for vinylene groups in seven series, namely chalcone derivatives, ferrocene analogues of chalcone, stilbene derivatives, ferrocene analogues of stilbene, and styrene derivatives, were studied. The polarization ranges spanning the intervals between 13C NMR chemical shifts of the derivatives substituted by p-NO2 and p-NMe2 groups are compared in these related compounds. The influence of the side-chain groups in the vinylene moiety and of the sign of the polarization on the substituent-effect are discussed. 相似文献
5.
Tamas Benko Agnes Szanyi Peter Mizsey Zsolt Fonyo 《Central European Journal of Chemistry》2006,4(1):92-110
The sustainable development and consumption need more efficient use of natural resources. As a consequence, the use of industrial
solvents demands their recovery instead of end-of-pipe treatment. It is not always clear, however, which treatment alternative
should be applied. Based on an industrial case study, the environmental and economic evaluation and comparison of the treatment
alternatives of a non-ideal solvent mixture containing azeotropes is investigated for determining the preferable option. For
the recovery of the industrial solvent mixture, two different separation alternatives are evaluated: a less effective alternative
and a novel design based on hybrid separation tools. An end-of-pipe treatment alternative, incineration, is also considered
and the split of the solvent mixtures between recovery and incineration is investigated. The environmental evaluation of the
alternatives is carried out using ‘Eco-indicator 99 life-cycle impact assessment methodology’. Economic investigation is also
accomplished. The economic features clearly favour the total recovery, however, the environmental evaluation detects that
if a recovery process of low efficiency is applied, its environmental burden can be similar or even higher than that of the
incineration. This motivates engineers to design more effective recovery processes and reconsider the evaluation of process
alternatives at environmental decision making. 相似文献
6.
7.
The thermodynamic and extra-thermodynamic dependencies of five types of cytochrome c in water-acetonitrile mixtures of different composition in the presence of immobilised n-octyl ligands as a function of temperature from 278 K to 338 K have been investigated. The corresponding enthalpic, entropic and heat capacity parameters, deltaHdegrees assoc, deltaS degrees assoc and delta C degrees p, have been evaluated from the observed non-linear Van't Hoff plots of these globular proteins in these heterogeneous systems. The relationships between the free energy dependencies, various molecular parameters and extra-thermodynamic dependencies (empirical correlations) of these protein-non-polar ligand interactions have also been examined. Thus, the involvement of enthalpy-entropy compensation effects has been documented for the binding of these cytochrome cs to solvated n-octyl ligands. Moreover, the results confirm that this experimental approach permits changes in molecular surface area due to the unfolding of these proteins on association with non-polar ligands as a function of temperature to be correlated with other biophysical properties. This study thus provides a general procedure whereby the corresponding free energy dependencies of globular proteins on association with solvated non-polar ligands in heterogeneous two-phase systems can be quantitatively evaluated in terms of fundamental molecular parameters. 相似文献
8.
Correia I Costa Pessoa J Duarte MT Henriques RT Piedade MF Veiros LF Jakusch T Kiss T Dörnyei A Castro MM Geraldes CF Avecilla F 《Chemistry (Weinheim an der Bergstrasse, Germany)》2004,10(9):2301-2317
The Schiff base N,N'-ethylenebis(pyridoxylideneiminato) (H(2)pyr(2)en, 1) was synthesized by reaction of pyridoxal with ethylenediamine; reduction of H(2)pyr(2)en with NaBH(4) yielded the reduced Schiff base N,N'-ethylenebis(pyridoxylaminato) (H(2)Rpyr(2)en, 2); their crystal structures were determined by X-ray diffraction. The totally protonated forms of 1 and 2 correspond to H(6)L(4+), and all protonation constants were determined by pH-potentiometric and (1)H NMR titrations. Several vanadium(IV) and vanadium(V) complexes of these and other related ligands were prepared and characterized in solution and in the solid state. The X-ray crystal structure of [V(V)O(2)(HRpyr(2)en)] shows the metal in a distorted octahedral geometry, with the ligand coordinated through the N-amine and O-phenolato moieties, with one of the pyridine-N atoms protonated. Crystals of [(V(V)O(2))(2)(pyren)(2)].2 H(2)O were obtained from solutions containing H(2)pyr(2)en and oxovanadium(IV), where Hpyren is the "half" Schiff base of pyridoxal and ethylenediamine. The complexation of V(IV)O(2+) and V(V)O(2) (+) with H(2)pyr(2)en, H(2)Rpyr(2)en and pyridoxamine in aqueous solution were studied by pH-potentiometry, UV/Vis absorption spectrophotometry, as well as by EPR spectroscopy for the V(IV)O systems and (1)H and (51)V NMR spectroscopy for the V(V)O(2) systems. Very significant differences in the metal-binding abilities of the ligands were found. Both 1 and 2 act as tetradentate ligands. H(2)Rpyr(2)en is stable to hydrolysis and several isomers form in solution, namely cis-trans type complexes with V(IV)O, and alpha-cis- and beta-cis-type complexes with V(V)O(2). The pyridinium-N atoms of the pyridoxal rings do not take part in the coordination but are involved in acid-base reactions that affect the number, type, and relative amount of the isomers of the V(IV)O-H(2)Rpyr(2)en and V(V)O(2)-H(2)Rpyr(2)en complexes present in solution. DFT calculations were carried out and support the formation and identification of the isomers detected by EPR or NMR spectroscopy, and the strong equatorial and axial binding of the O-phenolato in V(IV)O and V(V)O(2) complexes. Moreover, the DFT calculations done for the [V(IV)O(H(2)Rpyr(2)en)] system indicate that for almost all complexes the presence of a sixth equatorial or axial H(2)O ligand leads to much more stable compounds. 相似文献
9.
Chaudhuri RK Freed KF Hose G Piecuch P Kowalski K Włoch M Chattopadhyay S Mukherjee D Rolik Z Szabados A Tóth G Surján PR 《The Journal of chemical physics》2005,122(13):134105
Tests have been made to benchmark and assess the relative accuracies of low-order multireference perturbation theories as compared to coupled cluster (CC) and full configuration interaction (FCI) methods. Test calculations include the ground and some excited states of the Be, H(2), BeH(2), CH(2), and SiH(2) systems. Comparisons with FCI and CC calculations show that in most cases the effective valence shell Hamiltonian (H(v)) method is more accurate than other low-order multireference perturbation theories, although none of the perturbative methods is as accurate as the CC approximations. We also briefly discuss some of the basic differences among the multireference perturbation theories considered in this work. 相似文献
10.
In an attempt to generate antibodies for the development of an immunoanalysis method for potassium and caesium ions, new 1,3-alternate calix[4]arenes-crown-5 and -6 bearing either carboxylic or hydroxyl functions were synthesized in good yields. Their complexation properties towards potassium and caesium ions were investigated using 1H NMR spectroscopy and the usual properties proved to be preserved in the presence of the anchoring arms. 相似文献