Histidine in enzyme active centers.

The presence of histidine in the active center of an enzyme can be demonstrated by kinetic measurements, chemical modification, NMR spectroscopy or X-ray structure analysis. Histidine is the only naturally occurring amino acid to contain an imidazole residue as a side chain. The role of histidine in enzyme catalysis depends, inter alia, upon the special features of the imidazole residue: it thus tends to form hydrogen bonds, combines donor and acceptor properties and can take part in either nucleophilic or base catalysis. In some of these enzymes the position of each atom is known; however, the theories as to how the catalysis proceeds at a molecular level are controversial.     

Estimating the complexity of a class of path-following methods for solving linear programs by curvature integrals

In this paper we study a particular class of primal-dual path-following methods which try to follow a trajectory of interior feasible solutions in primal-dual space toward an optimal solution to the primal and dual problem. The methods investigated are so-called first-order methods: each iteration consists of a long step along the tangent of the trajectory, followed by explicit recentering steps to get close to the trajectory again. It is shown that the complexity of these methods, which can be measured by the number of points close to the trajectory which have to be computed in order to achieve a desired gain in accuracy, is bounded by an integral along the trajectory. The integrand is a suitably weighted measure of the second derivative of the trajectory with respect to a distinguished path parameter, so the integral may be loosely called a curvature integral.     

A global Newton method II: Analytic centers

This paper modifies the convergence conditions of a back-tracking global Newton method announced in Goldstein (1991), making them sharper and easier to apply. A new version of the Kantorovich inequalities is presented that is simple to state and prove. An application is made to the centering problem for polytopes. Based on an idea of Ye (1989), an algorithm is given for the feasibility problem of linear inequalities.This paper is dedicated to Phil Wolfe on the occasion of his 65th birthday.     

ESR study of electron interaction in a Tc/Al2O3 system

An investigation was made into the nature of paramagnetic centers in a Tc/Al₂O₃ system under varying conditions as to heat treatment and technetium content, and in O₂ and CO adsorption environments. It was found that in the case of reduction at 573 K Tc²⁺ ions and, conceivably, other ionic forms developed and stabilized on the carrier surface. After reduction at 973 K two types of electron center appeared, whose concentration increased as reduction was prolonged. Signals were observed in the low fields (3–20 mT) of the ESR spectra having g₁ 13.5 and g₂>30, which could be assigned to free charge carriers in a cluster of metal atoms or ions. Adsorption of O₂ at 300 K caused O ₂ ^– ion radicals to form on the surface of the reduced Tc/Al₂O₃ samples, both electron centers and technetium ions constituting the electron donors. In the case of CO adsorption paramagnetic (CO) ₂ ^– particles appeared on the Tc/Al₂O₃ samples after prolonged exposure. On reaction with O₂ two types of O ₂ ^– ion-radical with differing thermal stability were formed.Institute of Physical Chemistry, Russian Academy of Sciences, Moscow. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 9, pp. 1972–1978, September, 1992.     

金刚石集群NV色心的光谱特征及浓度定量分析

金刚石NV-色心具有优越的光致发光特性,可实现高灵敏度物理量探测。其中,NV-色心的浓度是影响其宏观领域物理量探测灵敏度的重要因素之一。分析了金刚石在NV-色心制备过程中产生的发光缺陷,研究了不同的电子注入剂量与NV-色心浓度的关系。首先,对金刚石进行电子辐照并高温真空退火,制备了NV-色心;然后,利用拉曼光谱仪测试了金刚石在电子辐照前、电子辐照后及退火后三个阶段中的荧光光谱,分析了金刚石在NV-色心制备过程中的光谱特性;最后,对生成的NV-色心的浓度进行了估算,并探究了不同电子注入剂量对NV-色心浓度的影响规律。结果表明,金刚石经电子注入后生成了524.7,541.1,578和648.1 nm发光中心。其中,HPHT合成金刚石经电子注入后普遍存在524.7 nm中心。电子注入后的金刚石经高温(≥800 ℃)真空(≥10-7 Pa)退火后,空位自由移动,不稳定的缺陷消失,当空位靠近氮原子时被束缚而形成氮空位色心。对于氮含量100 ppm的金刚石,当电子注入产生的空位含量小于120 ppm(2.1×1019 cm-3)时,NV-色心浓度与电子注入生成空位的含量的关系符合Boltzmann分布。该研究为利用氮含量100 ppm的金刚石实现定量NV-色心浓度的制备提供了参考依据,为NV-色心在宏观物理量精密测量的应用奠定了基础。     

Effect of X-Rays and Power Laser Irradiation on the Complex Emission Centers in Dielectric Crystals

Irradiation effects on emission centers were studied with photo and X-ray luminescence investigations of alkali chromate crystals. The X-rays and powerful laser irradiations were used for this investigation. The irradiation effects were found to depend on a type and structure of emission centers. In the alkali Chromate crystals complex emission centers of a molecular type are formed by two weight centers: the Chromate oxyanion and the defect. The bond between weight centers can be broken under irradiation action. As established in our experiment, some types of the emission centers can decay or transform into other types under action of irradiation.     

The electrical behaviour of abrupt ion implanted and diffused P+N junctions

Abstract

Results are reported of measurements of the properties of diodes formed by ion implantation, and for comparison boron diffused P⁺N diodes of similar area close by on the same chip. The four group III acceptor impurities were implanted separately to a dose of 5 × 10¹⁵ ions/cm² at room temperature into similar samples of suitably masked silicon. Boron ions were also implanted at liquid nitrogen temperature and 450°C. Annealing was limited to a maximum temperatare of 550 °C.

Measurements have been made of sheet resistance, forward and reverse I-V characteristics (from 10^?9 amps/cm²), reverse breakdown voltage, noise, minority carrier storage time and junction series resistance.

The bulk properties of boron implanted diodes were found to be reproducible. The introduction of recombination centres by implantation is the major factor influencing variation in these properties between one implantation condition and another. Changes in surface oxide conditions probably affect reverse leakage currents and breakdown voltages.

The properties of boron implanted diodes are considered suitable for applications such as the MOSFET, and are superior to those of the AI, Ga and In implanted diodes.     

Thermoluminescence in systems not subject to the usual approximations for first and second order kinetics

The properties of thermoluminescence (TL) glow curves have been studied in systems, containing one or more glow peaks, not restricted to the assumptions used to derive the usual first and second order glow peak kinetic expressions. If retrapping is negligible first order glow peaks are obtained whose peak temperature and shape are independent of other factors such as initial trapped charge concentrations. If retrapping occurs, glow peaks are obtained that are, in most cases, only approximated by first or second order kinetics. Also, in these cases the peak temperature, shape, relative intensity and other glow curve characteristics depend strongly on initial trapped charge concentrations, recombination and retrapping cross sections and other factors.     

A Thorough Investigation of the Active Titanium Species in TS‐1 Zeolite by In Situ UV Resonance Raman Spectroscopy

A thorough investigation of the active titanium species in TS‐1 zeolite was conducted by in situ UV resonance Raman spectroscopy combined with UV/Vis diffuse reflectance spectroscopy, DFT calculations, and epoxidation experiments. A new titanium species was identified with a characteristic Raman band at 695 cm^?1 when excited at the 266 nm laser line. It is shown that the newly found titanium species is active in the epoxidation reactions in addition to the tetrahedrally coordinated titanium species. However, the acidity of the new titanium species could catalyze the ring‐opening reactions of the epoxy products. It results in a lower selectivity toward the epoxy products relative to that of the tetrahedrally coordinated titanium species. The side reaction can be suppressed by the addition of a weak basic reagent.     

Heuristic algorithms for a vehicle routing problem with simultaneous delivery and pickup and time windows in home health care

This paper addresses a vehicle scheduling problem encountered in home health care logistics. It concerns the delivery of drugs and medical devices from the home care company’s pharmacy to patients’ homes, delivery of special drugs from a hospital to patients, pickup of bio samples and unused drugs and medical devices from patients. The problem can be considered as a special vehicle routing problem with simultaneous delivery and pickup and time windows, with four types of demands: delivery from depot to patient, delivery from a hospital to patient, pickup from a patient to depot and pickup from a patient to a medical lab. Each patient is visited by one vehicle and each vehicle visits each node at most once. Patients are associated with time windows and vehicles with capacity. Two mixed-integer programming models are proposed. We then propose a Genetic Algorithm (GA) and a Tabu Search (TS) method. The GA is based on a permutation chromosome, a split procedure and local search. The TS is based on route assignment attributes of patients, an augmented cost function, route re-optimization, and attribute-based aspiration levels. These approaches are tested on test instances derived from existing VRPTW benchmarks.