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71.
Oleg N. Obrezkov Andrey V. Pirogov Igor V. Pletnev Oleg A. Shpigun 《Mikrochimica acta》1991,103(5-6):293-302
A new optimization criterion for chromatography is presented. It was designed to evaluate the quality of chromatograms in a way similar to human estimation. Selectivity, efficiency, and time of analysis as well as the number of peaks were taken into account. The criterion has been tested in comparison with expert estimations and some modern criteria. A better agreement of the new criterion with human estimation of chromatographic quality compared to some literature criteria is shown. A number of successful optimization runs has been performed using the criterion together with simplex optimization. 相似文献
72.
The generalized (reductive) criterion of solvent polarity was obtained by the method of multiparametric optimization of the Snyder index P", Hildebrand parameter
T
, permittivity
r
, and solvatochromism parameter E
T
(30). Possibilities of employing this criterion for estimation of the elution power of normal and reversed mobile phases used in high-performance liquid chromatography were considered. 相似文献
73.
74.
Yinghong Sheng Jerzy Leszczynski Thuc-Quyen Nguyen Anu Bamgbelu 《Structural chemistry》2007,18(6):827-832
A theoretical study using density functional theory was performed to understand the structure/property relationship of the
cationic conjugated polyelectrolytes, poly[9,9-bis-(6′-N,N,N-trimethylammonium) hexyl] fluorene-alt-4,7-(2,1,3-benzothiadiazole)] (PFBT-X, where X = Br). The torsion angle between the fluorene and benzothiadiazole units in the PFBT monomer was found to substantially affect
the structural and electronic properties of the cationic PFBT monomer. The changes of geometrical parameter, HOMO and LUMO energy levels, and band gap, as well as the absorption maximum
are discussed in terms of the torsion in the PFBT monomer structure. For comparison, its neutral analogue, the monomer of
poly(9,9-di-n-octylfluorene-alt-benzothiadiazole) (F8BT) was also studied. The length of conjugation backbone was also examined. 相似文献
75.
B. Roduit Ch. Borgeat B. Berger P. Folly B. Alonso J. N. Aebischer F. Stoessel 《Journal of Thermal Analysis and Calorimetry》2005,80(1):229-236
Summary An advanced kinetic study on the thermal behaviour of pyrotechnic ignition mixtures has been carried out by differential scanning calorimetry using different B/KNO3 mixtures (50:50, 30:70, 20:80) as a model reaction. The experimental conditions applied (isochoric conditions/closed crucibles and isobaric conditions/open crucibles) as well as the composition of the mixtures noticeably influences the relative thermal stabilities of the energetic materials. The kinetic study focused on the prediction of the thermal stability of the different mixtures both in extended temperature ranges and under temperature conditions at which ordinary investigation would be very difficult. Using advanced numerical tools [1], thermal ageing and influence of the complex thermal environment on the heat accumulation conditions were computed. This can be done for any surrounding temperature profile such as isothermal, non-isothermal, stepwise, modulated, shock, adiabatic conditions and additionally for temperature profiles reflecting real atmospheric temperature changes (yearly temperature profiles of different climates with daily minimal and maximal fluctuations). Applications of accurate decomposition kinetics enabled the determination of the time to maximum rate under adiabatic conditions (TMRad) with a precision given by the confidence interval of the predictions. This analysis can then be applied for the examination of the effects of the surrounding temperature for safe storage or transportation conditions (e.g. determination of the safe transport or storage temperatures). 相似文献
76.
2-(8-羟基喹啉-5-磺酸-7-偶氮)-1,8-二羟基-3,6-萘二磺酸与牛血清白蛋白的相互作用 总被引:5,自引:0,他引:5
用平衡透析法和分光光度法研究了 2 (8 羟基喹啉 5 磺酸 7 偶氮 ) 1,8 二羟基 3,6 萘二磺酸与牛血清白蛋白 (BSA)在酸性溶液中的结合反应 ,认为 8Q5SAC与BSA之间的结合力是以静电引力为主的非共键作用力 ,并探讨了其结合模型。在 2 98K下 ,测得这一反应的最大结合数为 35~ 40 ,结合常数为 6 .1× 10 5L mol。还研究了溶液基本条件如酸度和离子强度等对 8Q5SAC与牛血清白蛋白分子复合物形成的影响 ,在pH =3.34条件下 ,标准工作曲线的线性范围为 0 .2 0~ 46 .90mg L。 相似文献
77.
78.
Anti-Controlling Codimension-2 Bifurcation of Discrete Dynamical Systems in 1 : 2 Resonance北大核心CSCD
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从分岔反控制的角度设计了一套非线性反馈控制策略,来实现离散动力系统1∶2共振情形下余维二分岔的各种分岔解。首先,针对传统分岔准则在确定高余维分岔点时存在的局限性,建立了一个1∶2共振情形下的余维二分岔的新显式准则,基于这个显式准则通过设计线性控制增益来确保此类余维二分岔的存在性。然后,推导了1∶2共振的中心流形,并基于范式方法通过设计非线性控制增益,分析了1∶2共振情形下余维二分岔解的类型和稳定性。最后,以一个Arneodo-Coullet-Tresser映射为例,在指定的参数点处通过控制实现了具有1∶2共振分岔特性的各种分岔解,进一步验证了理论分析。 相似文献
79.
The single machine group scheduling problem is considered. Jobs are classified into several groups on the basis of group technology, i.e. jobs of the same group have to be processed jointly. A machine set-up time independent of the group sequence is needed between each two consecutive groups. A schedule specifies the sequence of groups and the sequence of jobs in each group. The quality of a schedule is measured by the criteriaF
1, ...,F
m ordered by their relative importance. The objective is to minimize the least important criterionF
m subject to the schedule being optimal with respect to the more important criterionF
m–1 which is minimized on the set of schedules minimizing criterionF
m–2 and so on. The most important criterion isF
1, which is minimized on the set of all feasible schedules. An approach to solve this multicriterion problem in polynomial time is presented if functionsF
1, ...,F
m have special properties. The total weighted completion time and the total weighted exponential time are the examples of functionsF
1, ...,F
m–1 and the maximum cost is an example of functionF
m for which our approach can be applied.The research of the authors was partially supported by a KBN Grant No. 3 P 406 003 05, the Fundamental Research Fund of Belarus, Project N 60-242, and the Deutsche Forschungsgemeinschaft, Project Schema, respectively. The paper was completed while the first author was visiting the University of Melbourne. 相似文献
80.
We describe a new branch-and-bound algorithm for the exact solution of the maximum cardinality stable set problem. The bounding phase is based on a variation of the standard greedy algorithm for finding a colouring of a graph. Two different node-fixing heuristics are also described. Computational tests on random and structured graphs and very large graphs corresponding to real-life problems show that the algorithm is competitive with the fastest algorithms known so far.This work has been supported by Agenzia Spaziale Italiana. 相似文献