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1.
Detailed pH-dependent steady state and picosecond time-resolved tryptophan fluorescence studies on thiocyanate and azide complexes
of horseradish peroxidase have been carried out. The fluorescence decay of the single tryptophan in these species was fitted
to a discrete three exponential model. Maximum entropy method analysis also gave three distinct regions of lifetime distributions.
The fast subnanosecond lifetime component was found to have > 97% amplitude contribution while other two longer lifetime components
have small contributions. Small contributions from the nanosecond lifetime components possibly arise from apoprotein impurity
or some small amount of disordered heme conformer of the protein. pH dependence of the fast picosecond lifetime components
was found to show a systematic behavior which has been interpreted in the light of obligatory conformation change associated
with activation of the enzyme at low pH. 相似文献
2.
R. Webster 《国际流体数值方法杂志》1994,18(8):761-780
An efficient numerical method is presented for solving the equations of motion for viscous fluids. The equations are discretized on the basis of unstructured finite element meshes and then solved by direct iteration. Advective fluxes are temporarily fixed at each iteration to provide a linearized set of coupled equations which are then also solved by iteration using a fully implicit algebraic multigrid (AMG) scheme. A rapid convergence to machine accuracy is achieved that is almost mesh-independent. The scaling of computing time with mesh size is therefore close to the optimum. 相似文献
3.
C. David Levermore 《Journal of statistical physics》1996,83(5-6):1021-1065
This paper presents a systematicnonperturbative derivation of a hierarchy of closed systems of moment equations corresponding to any classical kinetic theory. The first member of the hierarchy is the Euler system, which is based on Maxwellian velocity distributions, while the second member is based on nonisotropic Gaussian velocity distributions. The closure proceeds in two steps. The first ensures that every member of the hierarchy is hyperbolic, has an entropy, and formally recovers the Euler limit. The second involves modifying the collisional terms so that members of the hierarchy beyound the second also recover the correct Navier-Stokes behavior. This is achieved through the introduction of a generalization of the BGK collision operator. The simplest such system in three spatial dimensions is a 14-moment closure, which also recovers the behavior of the Grad 13-moment system when the velocity distributions lie near local Maxwellians. The closure procedure can be applied to a general class of kinetic theories. 相似文献
4.
Shuping Chen 《Applied Mathematics and Optimization》1992,26(1):95-110
Necessary and sufficient conditions are established in this paper for the existence of positive- and/or negative-definite solutions to the algebraic Riccati equation with indefinite coefficient. An iterative procedure is also given for computing such a solution.Project supported by the National Science Foundation of China and by the special program of the State Education Commission of China under grant 9033507. 相似文献
5.
Petra A W Van Den Berg Koert Grever Arie Van Hoek Willem J H Van Berkel Antonie J W G Visser 《Journal of Chemical Sciences》2007,119(2):123-133
Conformational heterogeneity of the FAD cofactor in p-hydroxybenzoate hydroxylase (PHBH) was investigated with time-resolved polarized flavin fluorescence. For binary enzyme/substrate
(analogue) complexes of wild-type PHBH and Tyr222 mutants, crystallographic studies have revealed two distinct flavin conformations;
the ‘in’ conformation with the isoalloxazine ring located in the active site, and the ‘out’ conformation with the isoalloxazine
ring disposed towards the protein surface. Fluorescence-lifetime analysis of these complexes revealed similar lifetime distributions
for the ‘in’ and ‘out’ conformations. The reason for this is twofold. First, the active site of PHBH contains various potential
fluorescence-quenching sites close to the flavin. Fluorescence analysis of uncomplexed PHBH Y222V and Y222A showed that Tyr222
is responsible for picosecond fluorescence quenching free enzyme. In addition, other potential quenching sites, including
a tryptophan and two tyrosines involved in substrate binding, are located nearby. Since the shortest distance between these
quenching sites and the isoalloxazine ring differs only little on average, these aromatic residues are likely to contribute
to fluorescence quenching. Second, the effect of flavin conformation on the fluorescence lifetime distribution is blurred
by binding of the aromatic substrates: saturation with aromatic substrates induces highly efficient fluorescence quenching.
The flavin conformation is therefore only reflected in the small relative contributions of the longer lifetimes. 相似文献
6.
The third law of thermodynamics, in the sense that the entropy per unit volume goes to zero as the temperature goes to zero, is investigated within the framework of statistical mechanics for quantum and classical lattice models. We present two main results: (i) For all models the question of whether the third law is satisfied can be decided completely in terms of ground-state degeneracies alone, provided these are computed for all possible boundary conditions. In principle, there is no need to investigate possible entropy contributions from low-lying excited states, (ii) The third law is shown to hold for ferromagnetic models by an analysis of the ground states.Dedicated to Pierre Résibois. Work supported in part by NSF grant PHY-7825390 A01. 相似文献
7.
Louis Dressler Hendrik Nicolai Senda Agrebi Florian Ries Amsini Sadiki 《Entropy (Basel, Switzerland)》2022,24(5)
This contribution presents a straightforward strategy to investigate the entropy production in stratified premixed flames. The modeling approach is grounded on a chemistry tabulation strategy, large eddy simulation, and the Eulerian stochastic field method. This enables a combination of a detailed representation of the chemistry with an advanced model for the turbulence chemistry interaction, which is crucial to compute the various sources of exergy losses in combustion systems. First, using detailed reaction kinetic reference simulations in a simplified laminar stratified premixed flame, it is demonstrated that the tabulated chemistry is a suitable approach to compute the various sources of irreversibilities. Thereafter, the effects of the operating conditions on the entropy production are investigated. For this purpose, two operating conditions of the Darmstadt stratified burner with varying levels of shear have been considered. The investigations reveal that the contribution to the entropy production through mixing emerging from the chemical reaction is much larger than the one caused by the stratification. Moreover, it is shown that a stronger shear, realized through a larger Reynolds number, yields higher entropy production through heat, mixing and viscous dissipation and reduces the share by chemical reaction to the total entropy generated. 相似文献
8.
Carlos Ariel Gil-Barrera Raymundo Santana Carrillo Guo-Hua Sun Shi-Hai Dong 《Entropy (Basel, Switzerland)》2022,24(5)
In this work, we study the quantum information entropies for two different types of hyperbolic single potential wells. We first study the behaviors of the moving particle subject to two different hyperbolic potential wells through focusing on their wave functions. The shapes of these hyperbolic potentials are similar, but we notice that their momentum entropy densities change along with the width of each potential and the magnitude of position entropy density decreases when the momentum entropy magnitude increases. On the other hand, we illustrate the behaviors of their position and momentum entropy densities. Finally, we show the variation of position and momentum entropies and with the change of the potential well depth u and verify that their sum still satisfies the BBM inequality relation. 相似文献
9.
de Broglie relation is revisited, in consideration of a generalization of canonical commuting relation. The possible effects on particle's localization and black hole physics are also discussed, in a heuristic manner. 相似文献
10.
To take into account the temporal dimension of uncertainty in stock markets, this paper introduces a cross-sectional estimation of stock market volatility based on the intrinsic entropy model. The proposed cross-sectional intrinsic entropy (CSIE) is defined and computed as a daily volatility estimate for the entire market, grounded on the daily traded prices—open, high, low, and close prices (OHLC)—along with the daily traded volume for all symbols listed on The New York Stock Exchange (NYSE) and The National Association of Securities Dealers Automated Quotations (NASDAQ). We perform a comparative analysis between the time series obtained from the CSIE and the historical volatility as provided by the estimators: close-to-close, Parkinson, Garman–Klass, Rogers–Satchell, Yang–Zhang, and intrinsic entropy (IE), defined and computed from historical OHLC daily prices of the Standard & Poor’s 500 index (S&P500), Dow Jones Industrial Average (DJIA), and the NASDAQ Composite index, respectively, for various time intervals. Our study uses an approximate 6000-day reference point, starting 1 January 2001, until 23 January 2022, for both the NYSE and the NASDAQ. We found that the CSIE market volatility estimator is consistently at least 10 times more sensitive to market changes, compared to the volatility estimate captured through the market indices. Furthermore, beta values confirm a consistently lower volatility risk for market indices overall, between 50% and 90% lower, compared to the volatility risk of the entire market in various time intervals and rolling windows. 相似文献