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81.
Herein, we present results from MD simulations of the Michaelis complex formed between the B. cereus zinc-beta-lactamase enzyme and benzylpenicillin. The structural and dynamical effects induced by substrate-binding, the specific role of the conserved residues, and the near attack conformers of the Michaelis complex are discussed. Quantum chemical methods (HF/6-31G* and B3LYP/6-31G*) are also applied to study the hydrolysis reaction of N-methylazetidinone catalyzed by a monozinc system consisting of the side chains of the histidine residues (His86, His88, and His149) complexed with Zn-OH and the side chains of Asp90 and His210. From this model system, we built molecular-mechanics representations of the prereactive complex and transition state configurations docked into the active site. Linear-scaling semiempirical calculations coupled with a continuum solvent model were then performed on these static models. We propose that the experimental rate data for the B. cereus enzyme is compatible with a one-step mechanism for the hydrolysis of beta-lactam substrates in which His210 acts as a proton donor. 相似文献
82.
The ability of enzymes to work in non-aqueous media offers new and almost unexploited possibilities for the development of new optical biosensors. The advantages of performing biocatalytic reactions in non-aqueous media are discussed in relation to their possible application in optical biosensor design. Attention is focused on the factors that influence enzymatic catalysis in organic solvents, including the role of enzyme-associated water, criteria for solvent selection and the alteration of enzyme specificity. Recent examples of relevant applications and future prospects of organic-phase optical biosensing are discussed. 相似文献
83.
When excesses of ammonium thiocyanate and tetrabutylammonium chloride are added to a cobalt(II) solution, a water-insoluble ion-pair is formed; this compound is soluble in chloroform, isoamyl alcohol, and other solvents. The variables which affect the extractions by these two solvents are studied in order to obtain the optimal conditions and two alternative extraction procedures are proposed. Thus, the separation of cobalt as a previous step for its spectrophotometric determination is studied. 相似文献
84.
de Arquer María Ponte Borja Pino Raúl 《Central European Journal of Operations Research》2022,30(4):1307-1336
Central European Journal of Operations Research - We study a hybrid system where the demand of customers can be satisfied by both manufacturing new products and remanufacturing used products. To... 相似文献
85.
Graciela Díaz de Delgado Ramírez V. Belkis Miguel Delgado José Rosquete P. Carmelo 《Journal of chemical crystallography》1995,25(7):371-374
The title compound, formula C15H20O2, is orthorhombic, P212121 witha=8.747(2),b=12.025(3),c=12.554(3)Å,Z=4, andD
m
=1.32(2)g/ml. The structural analysis shows that the compound corresponds to eudesma-4(15),7(11)-dien-8,12-olide, a sesquiterpene lactone previously isolated fromAster umbellatus but whose crystal structure was unknown. 相似文献
86.
Federico Sánchez-Bringas Ana Irene Ramírez-Galarza 《Annals of Global Analysis and Geometry》1995,13(2):129-140
LetM be a compact orientable surface,I:M R4 an immersion of classC
r
and
a normal unitary smooth vector field. We prove that in the space of pairs (I,
) the family of pairs all whose umbilical points are Darbouxian is generic. 相似文献
87.
Hereditarily finite sets and hypersets are characterized both as algorithmic data structures and by means of a first-order axiomatization which, despite being rather weak, suffices to make the following two problems decidable:
- (1) Establishing whether a conjunction r of formulae of the form: ? y1 ?? ym((y1?W1& ?&ym ?Wm) ←q), with q quantifier-free and involving only the relators =, ? and propositional connectives, and each yi distinct from all wj's, is satisfiable.
- (2) Establishing whether a formula of the form ? y q, q quantifier-free, is satisfiable.
88.
Vladimír Olejček 《International Journal of Theoretical Physics》1995,34(8):1643-1646
The q--algebra, i.e., the system of sets closed under complementation, countable disjoint unions, and containing the empty set, generated by the system of open balls coincides with the -field of Borel sets inR
sun forn=1,2, and 3. A first step to extend the proof forn=4, 5, 6, and 7 is indicated. 相似文献
89.
I. Muzyčenková V. Kellnerová M. Koneracká P. Kopčanský M. Antalík J. Ďurišin 《Czechoslovak Journal of Physics》1995,45(9):727-734
The encapsulation of fine magnetite particles of 10 nm size and marker ANS within asolectin vesicles has been made by sonication of the mixture in water. For the proof of encapsulation of magnetite in vesicles the electron microscope and spectrofluoriphotometer technique were used. The theory for the calculation of the magnetic force acting on the system consisted of non-capsulated magnetic particles dispersed in water and magnetic vesicles was developed.This work was supported by the Slovak Academy of Sciences within the framework of Project GAV No. 1361. 相似文献
90.
In this paper large-scale properties of developed magnetohydrodynamic turbulence have been investigated by using double expansion method in the frame of quantum field renormalization group. It has been shown that universal kinetic scaling regime exists, but the double expansion in general leads to qualitatively different results than those provided by the usual -expansion treatment.This work was supported by Slovak Grant Agency for Science. 相似文献