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101.
102.
Haroldo G. Santos Túlio A. M. Toffolo Rafael A. M. Gomes Sabir Ribas 《Annals of Operations Research》2016,239(1):225-251
This work presents integer programming techniques to tackle the problem of the International Nurse Rostering Competition. Starting from a compact and monolithic formulation in which the current generation of solvers performs poorly, improved cut generation strategies and primal heuristics are proposed and evaluated. A large number of computational experiments with these techniques produced the following results: the optimality of the vast majority of instances was proved, the best known solutions were improved by up to 15 % and strong dual bounds were obtained. In the spirit of reproducible science, all code was implemented using the Computational Infrastructure for Operations Research. 相似文献
103.
104.
Nail Zabirov Sergej Kashevarov Rafael Cherkasov 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-4)
Abstract N-(thio)carbonyl(thio)amidophosphates, their open-chain and crown-containing analogues with a C (X) NHP (Y) fragments are NH acids with pKa 8–11 and the effective complexing agents for “soft” ion metals. 相似文献
105.
Julia Vallejo Alejandro Pascual‐Álvarez Dr. Joan Cano Dr. Isabel Castro Prof. Dr. Miguel Julve Prof. Dr. Francesc Lloret Dr. J. Krzystek Prof. Dr. Giovanni De Munno Dr. Donatella Armentano Prof. Dr. Wolfgang Wernsdorfer Dr. Rafael Ruiz‐García Dr. Emilio Pardo 《Angewandte Chemie (International ed. in English)》2013,52(52):14075-14079
106.
We study numerically the “analyticity breakdown” transition in 1-dimensional quasi-periodic media. This transition corresponds physically to the transition between pinned down and sliding ground states. Mathematically, it corresponds to the solutions of a functional equation losing their analyticity properties. We implemented some recent numerical algorithms that are efficient and backed up by rigorous results so that we can compute with confidence even close to the breakdown. We have uncovered several phenomena that we believe deserve a theoretical explanation: (A) The transition happens in a smooth surface. (B) There are scaling relations near breakdown. (C) The scaling near breakdown is very anisotropic. Derivatives in different directions blow up at different rates. Similar phenomena seem to happen in other KAM problems. 相似文献
107.
Rafael Dias do Espírito Santo Rosineide Costa Simas Alviclér Magalhães Vanessa Gonçalves dos Santos Thais Regiani Ana Cristina Isler Natiza Graziele Martins Marcos Nogueira Eberlin Eduardo René Pérez González 《Journal of Physical Organic Chemistry》2013,26(4):315-321
Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI‐MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (1H‐13C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple‐Bond Correlation (HMBC), 1H‐15N HMBC, 1H‐1H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p‐Cl and p‐Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p‐NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
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109.
Ribeiro Sabrina Dias Meneguin Andria Bagliotti Barud Hernane da Silva Silva Jhonatan Miguel Oliveira Rafael L. Asuno Rosana Maria Nascimento de Tormin Thiago Faria Muoz Rodrigo Alejandro Abarza Filho Guimes Rodrigues Ribeiro Clovis Augusto 《Journal of Thermal Analysis and Calorimetry》2022,147(13):7265-7275
Journal of Thermal Analysis and Calorimetry - Cellophane film production generates cellulosic residues from scraps, edges, and low-quality films. In this work, cellophane was used as a raw material... 相似文献
110.
Dr. Eva González-Freire Dr. Federica Novelli Antonio Pérez-Estévez Prof. Dr. Rafael Seoane Dr. Manuel Amorín Prof. Dr. Juan R. Granja 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(9):3029-3038
A new class of amphipathic cyclic peptides, which assemble in bacteria membranes to form polymeric supramolecular nanotubes giving them antimicrobial properties, is described. The method is based on the use of two orthogonal clickable transformations to incorporate different hydrophobic or hydrophilic moieties in a simple, regioselective, and divergent manner. The resulting cationic amphipathic cyclic peptides described in this article exhibit strong antimicrobial properties with a broad therapeutic window. Our studies suggest that the active form is the nanotube resulted from the parallel stacking of the cyclic peptide precursors. Several techniques, CD, FTIR, fluorescence, and STEM, among others, confirm the nanotube formation. 相似文献