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排序方式: 共有4829条查询结果,搜索用时 15 毫秒
1.
Peralta Cecilia Mariana Acosta Gimena Henestrosa Cecilia Gil Raúl Andrés Fernández Liliana Patricia 《Journal of Analytical Chemistry》2022,77(3):308-317
Journal of Analytical Chemistry - The present development involved a flow injection strategy using a mini-column of multiwalled carbon nanotubes and fluorescent detection (λex of 283 nm,... 相似文献
2.
Dr. Yolimar Gil Dr. Alejandro Castro-Alvarez Dr. Pablo Fuentealba Prof. Evgenia Spodine Dr. Daniel Aravena 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(48):e202200336
Enhancement of axial magnetic anisotropy is the central objective to push forward the performance of Single-Molecule Magnet (SMM) complexes. In the case of mononuclear lanthanide complexes, the chemical environment around the paramagnetic ion must be tuned to place strongly interacting ligands along either the axial positions or the equatorial plane, depending on the oblate or prolate preference of the selected lanthanide. One classical strategy to achieve a precise chemical environment for a metal centre is using highly structured, chelating ligands. A natural approach for axial-equatorial control is the employment of macrocycles acting in a belt conformation, providing the equatorial coordination environment, and leaving room for axial ligands. In this review, we present a survey of SMMs based on the macrocycle belt motif. Literature systems are divided in three families (crown ether, Schiff-base and metallacrown) and their general properties in terms of structural stability and SMM performance are briefly discussed. 相似文献
3.
Landgrave-Barbosa Fernando Marmolejo-Valencia Andrés F. Baray-Calderón Alejandro Hu Hailin Aguilar-Cordero Julio César Amador-Bedolla Carlos Ugalde-Saldivar Víctor M. 《Journal of Solid State Electrochemistry》2022,26(3):649-661
Journal of Solid State Electrochemistry - A study of poly(3-hexylthiophene) (P3HT) thin films by spin-coating process, deposited on conducting glass substrates of fluorine-doped tin oxide (FTO), is... 相似文献
4.
Bazarra Noelia Castejón Alberto Fernández José R. Quintanilla Ramón 《Meccanica》2021,56(12):3025-3037
Meccanica - In this work we study, from the numerical point of view, a one-dimensional thermoelastic problem where the thermal law is of type III. Quasi-static microvoids are also assumed within... 相似文献
5.
Ojo Oluwasegun Taiwo Fernández Anta Antonio Lillo Rosa E. Sguera Carlo 《Advances in Data Analysis and Classification》2022,16(3):725-760
Advances in Data Analysis and Classification - We propose two new outlier detection methods, for identifying and classifying different types of outliers in (big) functional data sets. The proposed... 相似文献
6.
Kleandrova Valeria V. Rojas-Vargas Julio A. Scotti Marcus T. Speck-Planche Alejandro 《Molecular diversity》2022,26(5):2523-2534
Molecular Diversity - Hypertension is a medical condition that affects millions of people worldwide. Despite the high efficacy of the current antihypertensive drugs, they are associated with... 相似文献
7.
Ramón Fernández-Ruiz 《X射线光谱测定》2022,51(3):279-293
This work describes the basic principles of Total-reflection X-Ray Fluorescence (TXRF) spectrometry and some of its most outstanding applications for investigating metal traces, mainly in biological and biomedical samples. TXRF is an analytical technique that combines the versatility of elemental analysis by X-ray energy dispersion with a low detection limit in the order of picograms of absolute mass or a few ppb (μg L−1) as concentration. The microanalytical capacity of TXRF allows the study of small sample quantities. The TXRF can perform qualitative and mass ratio analyses of the elements present in a sample of only a few hundred nanograms. These properties are of great importance in the research of metal traces in biological systems, as they allow fast, precise, and accurate characterisation of the elemental fingerprint at trace level. Its successful application in studies of the coordination kinetics of new platinum-based antitumor drugs with DNA, its application in the study profile of the metal in healthy and cancerous human tissues, or even its application in the study of the processes of metal diffusion through cell membranes are just a few examples of TXRF capabilities in the biomedical sciences. This brief review's main objective is to provide an overview of the physical principles and possibilities of TXRF spectrometry. It also highlights some of the most outstanding applications that have been developed so far, mainly in the biological field, so that the reader can evaluate their potential applications. 相似文献
8.
Victor García Jesús Sánchez-Márquez Estefanía Torres David Zorrilla Manuel Fernández 《International journal of quantum chemistry》2020,120(6):e26129
As part of previous studies, we introduced a new type of basis function named Simplified Box Orbitals (SBOs) that belong to a class of spatially restricted functions which allow the zero differential overlap (ZDO) approximation to be applied with complete accuracy. The original SBOs and their Gaussian expansions SBO-3G form a minimal basis set, which was compared to the standard Slater-type orbital basis set (STO-3G). In the present paper, we have developed the SBO basis functions at double-zeta (DZ) level, and we have assessed the option of expanding the SBO-DZ as a combination of Gaussian functions. Finally, we have determined the quality of the new basis set by comparing the molecular properties calculated with SBO-nG with those achieved with some standard basis sets. 相似文献
9.
Dr. Jose Ángel Pino‐Chamorro Dr. Artem L. Gushchin Prof. M. Jesús Fernández‐Trujillo Dr. Rita Hernández‐Molina Dr. Cristian Vicent Dr. Andrés G. Algarra Prof. Manuel G. Basallote 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(7):2835-2844
A study, involving kinetic measurements on the stopped‐flow and conventional UV/Vis timescales, ESI‐MS, NMR spectroscopy and DFT calculations, has been carried out to understand the mechanism of the reaction of [Mo3S4(acac)3(py)3][PF6] ([ 1 ]PF6; acac=acetylacetonate, py=pyridine) with two RC?CR alkynes (R=CH2OH (btd), COOH (adc)) in CH3CN. Both reactions show polyphasic kinetics, but experimental and computational data indicate that alkyne activation occurs in a single kinetic step through a concerted mechanism similar to that of organic [3+2] cycloaddition reactions, in this case through the interaction with one Mo(μ‐S)2 moiety of [ 1 ]+. The rate of this step is three orders of magnitude faster for adc than that for btd, and the products initially formed evolve in subsequent steps into compounds that result from substitution of py ligands or from reorganization to give species with different structures. Activation strain analysis of the [3+2] cycloaddition step reveals that the deformation of the two reactants has a small contribution to the difference in the computed activation barriers, which is mainly associated with the change in the extent of their interaction at the transition‐state structures. Subsequent frontier molecular orbital analysis shows that the carboxylic acid substituents on adc stabilize its HOMO and LUMO orbitals with respect to those on btd due to better electron‐withdrawing properties. As a result, the frontier molecular orbitals of the cluster and alkyne become closer in energy; this allows a stronger interaction. 相似文献
10.