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Sanjurjo Emilio Naya Miguel Ángel Blanco-Claraco José Luis Torres-Moreno José Luis Giménez-Fernández Antonio 《Nonlinear dynamics》2017,88(3):1935-1951
Nonlinear Dynamics - Multibody simulations are already used in many industries to speed up the development of new products. However, improvements in multibody formulations and the continuous... 相似文献
64.
Madeline J. Simpson Horacio Poblete May Griffith Emilio I. Alarcon Juan C. Scaiano 《Photochemistry and photobiology》2013,89(6):1433-1441
The role of recombinant Type‐I human collagen in the free form or forming AgNP@collagen on the photophysical and photochemical behavior of rose Bengal was analyzed. The formation of dye aggregates on the protein surface was experimentally observed and corroborated by docking calculations. The formation of such aggregates is believed to change the main oxidative mechanism from Type‐II (singlet oxygen) to Type‐I (free radical) photosensitization. Remarkably, the presence of AgNP in the form of AgNP@collagen altered the dynamics of dye triplet deactivation, effectively preventing the dye degradation and reducing the extent of protein crosslinked. Both crosslinked rHC and AgNP@collagen were able to support fibroblasts proliferation, but only the material containing silver was resistant to S. epidermidis infection. 相似文献
65.
An integrated gas chromatographic system has been successfully developed and implemented for the measurement of oxygen, nitrogen, carbon monoxide, carbon dioxide and light hydrocarbons in one single analysis. These analytes are frequently encountered in critical industrial petrochemical and chemical processes like catalytic cracking of naphtha or diesel fuel to lighter components used in gasoline. The system employs a practical, effective configuration consisting of two three-port planar microfluidic devices in series with each other, having built-in fluidic gates, and a mid-point pressure source. The use of planar microfluidic devices offers intangible advantages like in-oven switching with no mechanical moving parts, an inert sample flow path, and a leak-free operation even with multiple thermal cycles. In this way, necessary features such as selectivity enhancement, column isolation, column back-flushing, and improved system cleanliness were realized. Porous layer open tubular capillary columns were employed for the separation of hydrocarbons followed by flame ionization detection. After separation has occurred, carbon monoxide and carbon dioxide were converted to methane with the use of a nickel-based methanizer for detection with flame ionization. Flow modulated thermal conductivity detection was employed to measure oxygen and nitrogen. Separation of all the target analytes was achieved in one single analysis of less than 12 min. Reproducibility of retention times for all compounds were found to be less than 0.1% (n = 20). Reproducibility of area counts at two levels, namely 100 ppmv and 1000 ppmv over a period of two days were found to be less than 5.5% (n = 20). Oxygen and nitrogen were found to be linear over a range from 20 ppmv to 10,000 ppmv with correlation coefficients of at least 0.998 and detection limits of less than 10 ppmv. Hydrocarbons of interest were found to be linear over a range from 200 ppbv to 1000 ppmv with correlation coefficients of greater than 0.999 and detection limits of less than 100 ppbv. 相似文献
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Antonio Doménech-Carbó Monserrat Lastras Francisco Rodríguez Emilio Cano Juan Piquero-Cilla Laura Osete-Cortina 《Journal of Solid State Electrochemistry》2014,18(2):399-409
A methodology for monitoring washing procedures applied to stabilize archaeological iron is described. It is based on the combination of voltammetry of microparticles (VMP) with electrochemical impedance spectroscopy (EIS). A semi-empirical approach is used where the impedances at low and high frequencies were related with the fraction areas of passive and corrosion layers generated during the stabilizing treatment, the thickness, and the porosity of the corrosion layer. The variation of such parameters with the time of washing was determined from EIS data for four types of desalination procedures using concentrated NaOH and/or Na2SO3 aqueous solutions on archaeological iron artifacts. After 2 months of treatment, EIS data indicate that an essentially identical “stable” state was attained in all cases, as confirmed by the formation of a passive magnetite layer identified in VMP measurements while the rate of variation of corroded surface and porosity at short washing times varied significantly from one stabilization procedure to another. 相似文献
68.
Probing the CH⋅⋅⋅π Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane–Benzene Cluster
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Nathan A. Seifert Dr. Daniel P. Zaleski Dr. Cristóbal Pérez Dr. Justin L. Neill Prof. Brooks H. Pate Montserrat Vallejo‐López Prof. Alberto Lesarri Dr. Emilio J. Cocinero Prof. Fernando Castaño Prof. Isabelle Kleiner 《Angewandte Chemie (International ed. in English)》2014,53(12):3210-3213
Cooperativity between weak hydrogen bonds can be revealed in molecular clusters isolated in the gas phase. Here we examine the structure, internal dynamics, and origin of the weak intermolecular forces between sevoflurane and a benzene molecule, using multi‐isotopic broadband rotational spectra. This heterodimer is held together by a primary C? H???π hydrogen bond, assisted by multiple weak C? H???F interactions. The multiple nonbonding forces hinder the internal rotation of benzene around the isopropyl C? H bond in sevoflurane, producing detectable quantum tunneling effects in the rotational spectrum. 相似文献
69.
The π‐Back‐Bonding Modulation and Its Impact in the Electronic Properties of CuII Antineoplastic Compounds: An Experimental and Theoretical Study
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![点击此处可从《Chemistry (Weinheim an der Bergstrasse, Germany)》网站下载免费的PDF全文](/ch/ext_images/free.gif)
Juan Carlos García‐Ramos Dr. Rodrigo Galindo‐Murillo Araceli Tovar‐Tovar Ana Luisa Alonso‐Saenz Virginia Gómez‐Vidales Dr. Marcos Flores‐Álamo Dr. Luis Ortiz‐Frade Dr. Fernando Cortes‐Guzmán Dr. Rafael Moreno‐Esparza Prof. Antonio Campero Prof. Lena Ruiz‐Azuara 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(42):13730-13741
70.
Dr. Helena Isla Dr. Emilio M. Pérez Prof. Dr. Nazario Martín 《Angewandte Chemie (International ed. in English)》2014,53(22):5629-5633
Supramolecular polymers based on dispersion forces typically show lower molecular weights (MW) than those based on hydrogen bonding or metal–ligand coordination. We present the synthesis and self‐assembling properties of a monomer featuring two complementary units, a C60 derivative and an exTTF‐based macrocycle, that interact mainly through π–π, charge‐transfer, and van der Waals interactions. Thanks to the preorganization in the host part, a remarkable log Ka=5.1±0.5 in CHCl3 at room temperature is determined for the host–guest couple. In accordance with the large binding constant, the monomer self‐assembles in the gas phase, in solution, and in the solid state to form linear supramolecular polymers with a very high degree of polymerization. A MW above 150 kDa has been found experimentally in solution, while in the solid state the monomer forms extraordinarily long, straight, and uniform fibers with lengths reaching several microns. 相似文献