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排序方式: 共有3916条查询结果,搜索用时 31 毫秒
1.
Francesco Segatta David M. Rogers Naomi T. Dyer Ellen E. Guest Zhuo Li Hainam Do Artur Nenov Marco Garavelli Jonathan D. Hirst 《Molecules (Basel, Switzerland)》2021,26(2)
A fully quantitative theory of the relationship between protein conformation and optical spectroscopy would facilitate deeper insights into biophysical and simulation studies of protein dynamics and folding. In contrast to intense bands in the far-ultraviolet, near-UV bands are much weaker and have been challenging to compute theoretically. We report some advances in the accuracy of calculations in the near-UV, which were realised through the consideration of the vibrational structure of the electronic transitions of aromatic side chains. 相似文献
2.
Activated carbon production from almond shells using phosphoric acid activation agent was achieved by applying both conventional heating and microwave heating in succession. The morphology and surface properties of activated carbon were studied using thermogravimetric and differential gravimetric analysis, Fourier-transform infrared spectroscopy, scanning electron microscopy, and Brunauer–Emmett–Teller analysis. A surface area of 1128 m2/g was achieved by optimizing the microwave power (500?W), microwave application time (15?minutes), conventional heating time (45?minutes), conventional heating temperature (500?°C), and the phosphoric acid:sample ratio (0.7:1). An adsorption capacity of methylene blue of 148?mg/g and an iodine value of 791?mg/g was obtained for the prepared activated carbon. 相似文献
3.
In this study, stoichiometric protonation constants of L-tyrosine, L-cysteine, L-tryptophane, L-lysine, and L-histidine, and
their methyl and ethyl esters in water and ethanol–water mixtures of 30, 50, and 70% ethanol (v/v), were determined potentiometrically
using a combined pH electrode system calibrated as the concentration of hydrogen ion. Titrations were performed at 25∘C and the ionic strength of the medium was maintained at 0.10 mol⋅L−1 using sodium chloride. Protonation constants were calculated by using the BEST computer program. The effect of solvent composition
on the protonation constants is discussed. The log10 K2 values of esters generally decreased with increasing ethanol content. However, the log10 K1 values of the esters of L-tyrosine, L-cysteine, and L-tryptophane were found to increase with increasing ethanol content
in contrast those of L-lysine and L-histidine esters. 相似文献
4.
A. Peláiz-Barranco O. García-Zaldívar F. Calderón-Piñar 《Solid State Communications》2005,133(8):515-519
The Ac behaviour of PLZT 6/80/20 ferroelectric ceramics was analyzed around and above the phase transition. Two relaxation processes are identified, showing that the so-called ‘universal relaxation law’ holds for the ceramics. A critical point in the values of the Ac conductivity, around the temperature corresponding to the maximum of the dielectric losses, is observed below the transition temperature due to the relaxor behaviour. The frequency dependence of the Ac conductivity at various temperatures and the hysteresis loops show classical relaxor behaviour with a diffuse phase transition. 相似文献
5.
Do W. Lee Eun Y. Seo Sung I. Cho Chae S. Yi 《Journal of polymer science. Part A, Polymer chemistry》2004,42(11):2747-2755
Pyridine‐2‐carboximidates [methyl ( 1a ), ethyl ( 1b ), isopropyl ( 1c ), cyclopentyl ( 1d ), cyclohexyl ( 1e ), n‐octyl ( 1f ), and benzyl ( 1g )] were prepared from the reaction of 2‐cyanopyridine with the corresponding alcohols. Cyclopentyl‐substituted 1d was found to be a highly effective ligand for copper‐catalyzed atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA). For example, the observed rate constant for a CuBr/ 1d catalytic system was found to be nearly twice as high as the cyclohexyl‐substituted CuBr/ 1e catalytic system [kobs = (1.19 vs 0.56) × 10?4 s?1). The effects of the solvents, temperature, catalyst/initiator, and solvent/monomer ratio on the ATRP of MMA were studied systematically for the CuBr/ 1d catalytic system. The optimum condition for the ATRP of MMA was found to be a 1:2:1:400 [CuBr]o/[ 1d ]o/[ethyl 2‐bromoisobutyrate]o/[MMA]o ratio at 60 °C in veratrole solution, which yielded well‐defined poly(MMA) with a narrow molecular weight distribution of 1.14. The catalytically active copper complex 2d was isolated from the reaction of CuBr with 1d . Narrow molecular weight distributions as low as 1.06 were achieved for the CuBr/ 1d catalytic system by employing 10% of the deactivator CuBr2. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 2747–2755, 2004 相似文献
6.
Marcelo Do Amaral Steven Van Es Jos M. Asua 《Journal of polymer science. Part A, Polymer chemistry》2004,42(16):3936-3946
The production of high‐solid‐content, low‐viscosity latexes is an active field in both industry and academia. The viscosity of polymer dispersions has a clear dependence on the particle size distribution (PSD). An example is the rule of thumb that a bimodal PSD enables the reduction of the viscosity with respect to monomodal systems. Despite important progress in theoretical work, not much has been done to quantitatively predict the low shear viscosity of aqueous polymer dispersions as a function of the complex PSD. In this work, the capability of a low‐shear‐viscosity equation to quantitatively account for the influence of both the PSD and the physicochemical characteristics of the dispersions is experimentally assessed. An analysis, consistent with theoretical concepts, of the data with semiempirical correlations is proposed. Next, with values of the parameters of the viscosity equation obtained experimentally, the effect of a latex with a 70% solid content on the low shear viscosity is examined. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3936–3946, 2004 相似文献
7.
The electrochemical reduction of 1-([(4-halophenyl)imino]methyl)-2-naphthols on graphite electrodes was studied using cyclic voltammetry, chronoamperometry, constant-potential coulometry and preparative constant-potential electrolysis techniques. The data revealed that the reduction on graphite was irreversible and followed an EC mechanism. The diffusion coefficients and the number of electrons transferred were determined using the chronoamperometric Cottrell slope and the ultramicro disc Pt-electrode steady-state current. The number of electrons was also determined by bulk electrolysis. The compounds were subjected to constant-potential preparative electrolysis and the electrolysis products were purified and identified by spectroscopic methods. Based on these findings, a mechanism for the electro-reduction process is proposed. 相似文献
8.
The purpose of this paper is to give the Reid ``Roundabout Theorem' for quadratic functionals with general boundary conditions.
In particular, we describe the so-called coupled point and regularity condition introduced in [16] in terms of Riccati equation
solutions.
Accepted 27 February 1996 相似文献
9.
The NH,NH-dihydrocycloadduct 1 (6-chloro-9,9-dimethyl-7,8-dihydro-9H-pyrazolo[4,3-d]tetrazolo[1,5-b]-pyridazine) obtained by the cycloaddition of 2-diazopropane to 6-chlorotetrazolo[1,5-b]pyridazine, is transformed with protected or unprotected carbohydrates 2, 5, 7,9, 11, 13 and 15 in the presence of methyl acrylate ( 3 ) into the corresponding C-nucleosides 4,6,8,10,12,14 and 16 . In this one-pot synthesis two new chiral centers are formed stereoselectively, dependent on the chirality at C-atom next to aldehydo group in the carbohydrate. 相似文献
10.
M. Akdağ 《Acta Mathematica Hungarica》2007,116(1-2):35-45
We define a multifunction F: X ⇝ Y to be upper (lower) D*-supercontinuous if F
+(V) (F
−(V)) is d*-open in X for every open set V of Y. We obtain some characterizations and several properties concerning upper (lower) D*-supercontinuous multifunctions.
相似文献