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41.
Journal of Heuristics - In this paper, we present a method to identify forum posts expressing user intentions in online discussion forums. The results of this task, for example buying intentions,... 相似文献
42.
Backus EH Nguyen PH Botan V Moretto A Crisma M Toniolo C Zerbe O Stock G Hamm P 《The journal of physical chemistry. B》2008,112(48):15487-15492
Applying ultrafast vibrational spectroscopy, we find that vibrational energy transport along a helical peptide changes from inefficient but mostly ballistic below approximately 270 K into diffusive and significantly more efficient above. On the basis of molecular dynamics simulations, we attribute this change to the increasing flexibility of the helix above this temperature, similar to the glass transition in proteins. Structural flexibility enhances intramolecular vibrational energy redistribution, thereby refeeding energy into the few vibrational modes that delocalize over large parts of the structure and therefore transport energy efficiently. The paper outlines concepts how one might regulate vibrational energy transport properties in ultrafast photobiological processes, as well as in molecular electronic devices, by engineering the flexibility of their components. 相似文献
43.
Prof. Dr. Dengrong Sun Lok Wing Wong Hok Yin Wong Ka Hei Lai Dr. Lin Ye Xinyao Xv Prof. Dr. Thuc Hue Ly Prof. Dr. Qingming Deng Prof. Dr. Jiong Zhao 《Angewandte Chemie (International ed. in English)》2023,62(4):e202216008
The direct utilization of metal–organic frameworks (MOFs) for electrocatalytic oxygen evolution reaction (OER) has attracted increasing interests. Herein, we employ the low-dose integrated differential phase contrast-scanning transmission electron microscopy (iDPC-STEM) technique to visualize the atomic structure of multivariate MOFs (MTV-MOFs) for guiding the structural design of bulk MOFs for efficient OER. The iDPC-STEM images revealed that incorporating Fe3+ or 2-aminoterephthalate (ATA) into Ni-BDC (BDC: benzenedicarboxylate) can introduce inhomogeneous lattice strain that weaken the coordination bonds, which can be selectively cleaved via a mild heat treatment to simultaneously generate coordinatively unsaturated metal sites, conductive Ni@C and hierarchical porous structure. Thus, excellent OER activity with current densities of 10 and 100 mA cm−2 are achieved over the defective MOFs at small overpotentials of 286 mV and 365 mV, respectively, which is superior to the commercial RuO2 catalyst and most of the bulk MOFs. 相似文献
44.
Swarbhanu Sarkar Yeong Su Ha Nisarg Soni Gwang Il An Woonghee Lee Min Hwan Kim Phuong Tu Huynh Heesu Ahn Nikunj Bhatt Yong Jin Lee Jung Young Kim Kwon Moo Park Isao Ishii Shin‐Geol Kang Jeongsoo Yoo 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2016,128(32):9511-9516
Hydrogen sulfide (H2S) has multifunctional roles as a gas signaling molecule in living systems. However, the efficient detection and imaging of H2S in live animals is very challenging. Herein, we report the first radioisotope‐based immobilization technique for the detection, quantification, and in vivo imaging of endogenous H2S. Macrocyclic 64Cu complexes that instantly reacted with gaseous H2S to form insoluble 64CuS in a highly sensitive and selective manner were prepared. The H2S concentration in biological samples was measured by a thin‐layer radiochromatography method. When 64Cu–cyclen was injected into mice, an elevated H2S concentration in the inflamed paw was clearly visualized and quantified by Cerenkov luminescence and positron emission tomography (PET) imaging. PET imaging was also able to pinpoint increased H2S levels in a millimeter‐sized infarcted lesion of the rat heart. 相似文献
45.
Nguyen Phuong Hanh Nguyen Huu Toan Phan Nguyen Thi Dieu Thuan Tran Thi Hong Hanh Le Thi Vien Nguyen Phuong Thao 《Natural product research》2016,30(18):2071-2076
Six iridoid derivatives (1–6), including two new compounds myrmecodoides A and B (1 and 2), were isolated from the ant-plant Myrmecodia tuberosa. Their structures were determined on the basis of spectroscopic data (1H and 13C NMR, HSQC, HMBC, 1H-1H COSY, NOESY and HR-ESI-MS) and by comparison with the literature values. Among isolates, 3 and 4 exhibit weak antibacterial effect against Staphylococcus aureus subsp. aureus with MIC value of 100.0 μg/mL. 相似文献
46.
The phi,psi backbone angle distribution of small homopolymeric model peptides is investigated by a joint molecular dynamics (MD) simulation and heteronuclear NMR study. Combining the accuracy of the measured scalar coupling constants and the atomistic detail of the all-atom MD simulations with explicit solvent, the thermal populations of the peptide conformational states are determined with an uncertainty of <5 %. Trialanine samples mainly ( approximately 90%) a poly-l-proline II helix-like structure, some ( approximately 10%) beta extended structure, but no alphaR helical conformations. No significant change in the distribution of conformers is observed with increasing chain length (Ala(3) to Ala(7)). Trivaline samples all three major conformations significantly. Triglycine samples the four corner regions of the Ramachandran space and exists in a slow conformational equilibrium between the cis and trans conformation of peptide bonds. The backbone angle distribution was also studied for the segment Ala3 surrounded by either three or eight amino acids on both N- and C-termini from a sequence derived from the protein hen egg white lysozyme. While the conformational distribution of the central three alanine residues in the 9mer is similar to that for the small peptides Ala(3)-Ala(7), major differences are found for the 19mer, which significantly (30-40%) samples alphaR helical stuctures. 相似文献
47.
48.
Durham等[1]曾利用Pt(黑)|lN HCl‖Ru(bipy)32+、MV2+、EDTA(pH=9)|Pt(网)电池模拟光解水析氢反应。但该装置的左、右二半电池中溶液的pH值相差9以上,相当于外加0.5V以上的偏压,因此,不能真实地模拟自发的光解水析氢过程。 相似文献
49.
Phuong Y. Ghi David J. T. Hill Andrew K. Whittaker 《Journal of polymer science. Part A, Polymer chemistry》1999,37(19):3730-3737
The free radical copolymerizations of hydroxyethyl methacrylate and tetrahydrofurfuryl methacrylate have been investigated at 50°C. The compositions of polymers prepared at low conversions have been determined using 13C-NMR, and the glass transition temperatures determined by DSC. The copolymerizations were found to be best described by a terminal model with reactivity ratios of rH = 1.79 and rT = 0.76. The triad fraction sequence distributions have been calculated based on the terminal model and the calculated reactivity ratios. The glass transitions have been fitted to the Gordon–Taylor equation. The best value of the Gordon–Taylor constant was found to be kH = 1.42 ± 0.2, indicating nonideal mixing of the two monomer components in the copolymers. © 1999 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 37: 3730–3737, 1999 相似文献
50.
In the present paper, we are interested in the propagation of Rayleigh waves in an isotropic elastic half-space coated with a thin isotropic elastic layer. The contact between the layer and the half space is assumed to be smooth. The main purpose of the paper is to establish an approximate secular equation of the wave. By using the effective boundary condition method, an approximate, yet highly accurate secular equation of fourth-order in terms of the dimensionless thickness of the layer is derived. From the secular equation obtained, an approximate formula of third-order for the velocity of Rayleigh waves is established. The approximate secular equation and the formula for the velocity obtained in this paper are potentially useful in many practical applications. 相似文献