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81.
Gatto Claudia C. Chagas Marcio A. S. Lima Iariane J. Mello Andrade Francyelli Silva Hugo D. Abrantes Gabrielly R. Lacerda Elisângela P. S. 《Transition Metal Chemistry》2019,44(4):329-340
Transition Metal Chemistry - The present study reports the synthesis and crystal structures of Cu(II) complexes with pyridoxal S-allyldithiocarbazate (H2L1) and pyridoxal thiosemicarbazones... 相似文献
82.
We define the hyperbolic order of any locally injective holomorphic function between arbitrary hyperbolic domains of the complex plane and study the relation between the hyperbolic order and the Schwarzian derivative for locally injective holomorphic functions from the unit disk into itself. 相似文献
83.
Dr. Marco Marazzi Dr. Hugo Gattuso Dr. Maria Fumanal Dr. Chantal Daniel Dr. Antonio Monari 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2519-2526
A computational investigation of the triplet excited states of a rhenium complex electronically coupled with a tryptophan side chain and bound to an azurin protein is presented. In particular, by using high-level molecular modeling, evidence is provided for how the electronic properties of the excited-state manifolds strongly depend on coupling with the environment. Indeed, only upon explicitly taking into account the protein environment can two stable triplet states of metal-to-ligand charge transfer or charge-separated nature be recovered. In addition, it is also demonstrated how the rhenium complex plus tryptophan system in an aqueous environment experiences too much flexibility, which prevents the two chromophores from being electronically coupled. This occurrence disables the formation of a charge-separated state. The successful strategy requires a multiscale approach of combining molecular dynamics and quantum chemistry. In this context, the strategy used to parameterize the force fields for the electronic triplet states of the metal complex is also presented. 相似文献
84.
Carlos Camacho‐Camacho Irma Rojas‐Oviedo Ariadna Garza‐Ortiz Rubén Alfredo Toscano Luis Sánchez‐Sánchez Jorge Cardenas Hugo López‐Muñoz 《应用有机金属化学》2016,30(4):199-207
The synthesis in one‐pot reactions and structural characterization of six new tri‐n‐butyltin(IV) derivatives of Schiff bases are reported. The compounds are derived from a condensation reaction between l ‐alanine, l ‐valine, l ‐isoleucine, l ‐methionine, l ‐phenylalanine or l ‐tryptophan and 3,5‐di‐tert‐butyl‐2‐hydroxybenzaldehyde. Characterization was completed using elemental analysis, infrared spectroscopy, mass spectrometry, one‐ and two‐dimensional solution NMR (1H, 13C and 119Sn) as well as solid‐state 119Sn NMR. In addition, the crystal structures of three of the compounds were confirmed using single‐crystal X‐ray diffraction. Although five‐coordinated and polymeric in the solid state, the tin compounds are four‐coordinated and monomeric in solution. The coordination environment around the triorganotin units comprises three carbon atoms and two oxygen atoms from two ligands in a trigonal bipyramidal geometry. The anti‐proliferative effect of these compounds on the cervical carcinoma cell lines HeLa, CaSki and ViBo was screened in vitro, the compounds showing cytotoxic activity against all three strains and null or low cytotoxic activity (necrotic) as well. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
85.
86.
Viviana Heguaburu Hugo do Carmo Florencia Parpal María Eugenia Amorós Andrés González 《Tetrahedron letters》2017,58(18):1738-1741
The synthesis of 3-hydroxy-2-hexanone and 2,3-hexanediol, two components of the aggregation pheromone of several cerambycid species, is disclosed in here. Starting from 2-hexanone, through an α-hydroxylation using (diacetoxyiodo)benzene, 3-hydroxy-2-hexanone is obtained in good yield. Further reduction of this compound, gives 2,3-hexanediol in excellent yield. A study of the α-hydroxylation reaction of several alkylketones using an hypervalent iodine reagent is also disclosed in here. The synthesis of optically active compounds (R)- and (S)-3-hydroxy-2-hexanone was achieved starting from 2-hexanone with nitrosobenzene and l- and d-proline respectively, in several reaction media. 相似文献
87.
David Alonso-Gutiérrez Bernardo González Merino C. Hugo Jiménez Rafael Villa 《Journal of Geometric Analysis》2018,28(2):1182-1201
We extend the notion of John’s ellipsoid to the setting of integrable log-concave functions. This will allow us to define the integral ratio of a log-concave function, which will extend the notion of volume ratio, and we will find the log-concave function maximizing the integral ratio. A reverse functional affine isoperimetric inequality will be given, written in terms of this integral ratio. This can be viewed as a stability version of the functional affine isoperimetric inequality. 相似文献
88.
Florent Balacheff Hugo Parlier Stéphane Sabourau 《Geometric And Functional Analysis》2012,22(1):37-73
Given a Riemannian surface, we consider a naturally embedded graph which captures part of the topology and geometry of the
surface. By studying this graph, we obtain results in three different directions. 相似文献
89.
In the original traveling salesman problem, the traveling salesman has the task to find the shortest closed tour through a
proposed set of nodes, touching each node exactly once and returning to the initial node at the end. For the sake of the tour
length to be minimized, nodes close to each other might not be visited one after the other but separated in the tour. However,
for some practical applications, it is useful to group nodes to clusters, such that all nodes of a cluster are visited contiguously.
Here we present an approach which leads to an automatic clustering with a clustering parameter governing the sizes of the
clusters. 相似文献
90.
Hugo R. Fernandes Dilshat U. Tulyaganov José M. F. Ferreira 《Journal of Thermal Analysis and Calorimetry》2013,112(3):1359-1368
The crystallisation kinetics of experimental glasses in 3 different systems: (A) Li2O–SiO2, (B) Li2O–Al2O3–SiO2 and (C) Li2O–K2O–Al2O3–SiO2 were studied under non-isothermal conditions. The DTA results revealed a stronger tendency to crystallisation of binary compositions in comparison to the ternary and quaternary compositions comprising Al2O3 and K2O which present the lower crystallisation, i.e. the crystallisation propensity follows the trend A > B > C. The devitrification process in the Li2O–SiO2 and Li2O–Al2O3–SiO2 systems began earlier and the rate was higher in comparison to that of glasses in the quaternary Li2O–K2O–Al2O3–SiO2 system. Thus, addition of Al2O3 and K2O to glasses of Li2O–SiO2 system was demonstrated to promote glass stability against crystallisation. However, the activation energy for crystallisation was shown to depend also on the SiO2/Li2O ratio with the binary system showing a decreasing trend with increasing SiO2/Li2O ratio, while the opposite tendency was being observed for compositions with added Al2O3 and K2O. 相似文献