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排序方式: 共有361条查询结果,搜索用时 31 毫秒
1.
Herraiz A. Gutierrez M. Ortega-Mier M. 《Central European Journal of Operations Research》2022,30(4):1427-1450
Central European Journal of Operations Research - We define a geometric transformation of Euclidean Travelling Salesman Problem (TSP) tours that leads to a new formulation of the TSP. For every... 相似文献
2.
We show that, contrary to earlier reports, application of the one-parameter variational technique to the classical (image) model for H in front of an Al surface leads to energy shifts for the ground state which are very close to those obtained numerically with a more sophisticated model of the system. 相似文献
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The axially chiral bicyclic thioketones 11 and 15 were prepared and investigated for suitability as chiroptical triggers in a liquid crystal optical switch. Irradiation of partially resolved 15 with unpolarized light leads to its conversion to the racemic form (photoracemization). However, irradiation of racemic thioketones 11 and 15 with circularly polarized light does not lead to detectable photoresolution. The lack of photoresolution was traced to inefficiency in intramolecular, through-bond triplet energy transfer. These thioketones are not suitable for use as phototriggers. 相似文献
5.
Estrada E Patlewicz G Gutierrez Y 《Journal of chemical information and computer sciences》2004,44(2):688-698
A general strategy for knowledge flow concerning skin sensitization based on the combined use of TOPS-MODE and DEREK expert system is proposed. TOPS-MODE is used as a knowledge generator, while DEREK represents the knowledge archive. A TOPS-MODE classification model allows the identification of structural fragments and groups responsible for strong/moderate skin sensitization. These structural contributions are sorted, analyzed, and graphically displayed in an appropriate way allowing the identification of several structural alerts for skin sensitization. Nine structural alerts already implemented in DEREK are identified using this strategy. They comprise, among others, alkyl halides, aldehydes, alpha,beta-unsaturated compounds, aromatic amines, phenols, hydroquinone, isothiazolinone, and alkyl sulfonates. Four new hypotheses are generated using TOPS-MODE structural contributions to skin sensitization, which are not recognized as structural alerts by DEREK. They include the reduction of aromatic nitro groups and epoxidation reaction of double bonds as metabolic activation steps that can lead to reactive haptens which can trigger the skin sensitization mechanism. Another new alert is based on 1,2,5-thiadiazole-1,1-dioxide for which we have identified a possible mechanism explaining its strong skin sensitization profile. It is based on the existence of a tautomeric equilibrium and further reaction with nucleophiles, which are both supported by experimental evidence. Finally, we have identified a possible new mechanism for the skin sensitization of nonreactive compounds, which involves the formation of noncovalent complexes with proteins in a processing- and metabolism-independent way. 相似文献
6.
Colorless [Au[C(NHMe)(2)](2)]X.H(2)O (X = Cl or Br) crystallize as dimers with Au.Au separations of 3.1231(3) A (Cl salt) and 3.1297(4) A (Br salt) between the linear, two-coordinate cations, and there is no direct interaction of Au(I) with the halide ions which are hydrogen bonded to ligand N-H groups and the water molecules. The luminescence of these dimers occurs at higher energy than that observed in extended chains of the same cation in the corresponding (PF(6))(-) and (BF(4))(-) salts and shows the important effects of aggregation on the observed luminescence. 相似文献
7.
Farré M Fernandez J Paez M Granada L Barba L Gutierrez HM Pulgarin C Barceló D 《Analytical and bioanalytical chemistry》2002,373(8):704-709
The controlled biodegradation of ametryn and methomyl has been performed, in accordance with the OECD Zahn-Wellens/EMPA procedure, by use of an enriched mixture of activated sludge collected from three domestic waste-water-treatment plants (WWTP). During the process concentrations of ametryn and methomyl in the water samples were isolated by solid-phase extraction (SPE); recovery rates were 98.9 and 93.2 for methomyl and ametryn, respectively. Liquid chromatography-mass spectrometry (LC-MS) was used to determine final pesticide concentrations and for metabolite identification.The efficiency of aerobic biodegradation of ametryn and methomyl was evaluated by measuring both the decrease in the concentration of the pesticides and global properties such as the chemical oxygen demand (COD). The acute toxicity of ametryn and methomyl was evaluated by use of the ToxAlert100 biological test, which is based on inhibition of the bioluminescence of Vibrio fischeri. There was significant correlation between results from primary and ultimate biodegradation and those from determination of toxicity. Pesticide concentrations were always reduced to below the limit of detection in less than 17 days. High COD removal (90-96%) was achieved in 28 and 18 days for methomyl and ametryn, respectively. 相似文献
8.
Carlos Gutierrez Marco-Antonio Teixeira 《Bulletin of the Brazilian Mathematical Society》1995,26(1):57-66
Let >0 andX be aC
1 vector field on the plane such that: (i) for allq2, Det(DX(q))>0; and (ii) for allp2, with p, Trace(D(X(p))<0. IfX has a singularity and
2 Trace(DX)dxdy is less than 0 (resp. greater or equal than 0), then the point at infinity of the Riemann sphere 2{} is a repellor (resp. an attractor) ofX. 相似文献
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Alverson G Baker WF Ballocchi G Benson R Berg D Blusk S Bromberg C Brown D Carey D Chand T Chandlee C Choudhary BC Chung WH de Barbaro L DeSoi W Dlugosz W Dunlea J Easo S Engels E Faissler W Fanourakis G Ferbel T Garelick D Ginther G Glass G Glaubman M Gutierrez P Hartman K Huston J Johnstone C Kapoor V Kourbanis L Lanaro A Lirakis C Lobkowicz F Lukens P Mani S Maul A Mansour J Miller R Nelson CA Oh BY Orris D Pothier E Prebys E Rajaram BM Roser R Ruddick K Shepard P Shivpuri RK Sinanidis A 《Physical review D: Particles and fields》1993,48(1):5-28