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301.
S. Shrivastava 《Solid State Communications》2011,151(10):775-777
Thin films of 1,4-trans-polyisoprene have been prepared on various substrates from toluene solution and characterized using Fourier transform infrared (FTIR) spectroscopy, optical absorption spectroscopy and X-ray diffraction before and after doping with iodine. The optical absorption spectrum at low doping shows two peaks: one at 4.2 eV and the other at 3.2 eV. X-ray diffraction indicates an increase of (111) and (122) peak intensities upon doping. Quadratic electro-optic measurements have been made using field-induced birefringence. The Kerr coefficients as measured (3.5×10−10 m/V 2 at 633 nm and 2.5×10−10 m/V 2 at 1.55 μm) are exceptionally large, and they have been attributed to the subnanometer-size metallic domains formed upon doping and charge transfer. 相似文献
302.
Parasar Mohanty Saurabh Shrivastava 《Journal of Mathematical Analysis and Applications》2011,382(1):334-338
In this paper we obtain a bilinear analogue of Fefferman-Stein?s vector valued inequality for classical Hardy-Littlewood maximal function. Also, we prove the boundedness of bilinear Hardy-Littlewood maximal operator from Lp1(Rn)×Lp2(Rn)→L1(Rn), where , by applying the method of rotations. 相似文献
303.
Derek A. Debe Ravindra B. Mamidipaka Robert J. Gregg James T. Metz Rishi R. Gupta Steven W. Muchmore 《Journal of computer-aided molecular design》2013,27(9):771-782
Automated lead optimization helper application (ALOHA) is a novel fitness scoring approach for small molecule lead optimization. ALOHA employs a series of generalized Bayesian models trained from public and proprietary pharmacokinetic, absorption, distribution, metabolism, and excretion, and toxicology data to determine regions of chemical space that are likely to have excellent drug-like properties. The input to ALOHA is a list of molecules, and the output is a set of individual probabilities as well as an overall probability that each of the molecules will pass a panel of user selected assays. In addition to providing a summary of how and when to apply ALOHA, this paper will discuss the validation of ALOHA’s Bayesian models and probability fusion approach. Most notably, ALOHA is demonstrated to discriminate between members of the same chemical series with strong statistical significance, suggesting that ALOHA can be used effectively to select compound candidates for synthesis and progression at the lead optimization stage of drug discovery. 相似文献
304.
Ricerche di Matematica - The aim of the present paper, how the people behave towards the offer of two products in two different patches. In this work, an innovation diffusion model with... 相似文献
305.
A reverse ortho effect is observed for the (13)C NMR chemical shifts of the carboxyl carbon (δ(co)) in benzoic acids measured in aprotic solvents of varying polarity. The ortho effect on δ(co) is best described by a combination of the reverse field and steric accelerating effects of the substituent in an 80: 20 pattern in apolar aprotic solvents and a 60: 40 pattern in dipolar aprotic ones. Interestingly, no good enough correlation was found between δ(co) and log k(1) of the acids measured in similar solvents. A critical analysis of the results clearly indicates the use of an apolar aprotic solvent and not a dipolar aprotic one as the solvent of choice for investigating intrinsic substituent effects on δ(c) in an aromatic system. 相似文献
306.
307.
In this paper, simple relations are proposed for the calculation of Debye temperature θD and melting point Tmof II‐VI and III‐V zincblende semiconductors. Six relations are proposed to calculate the value of θD. Out of these six relations, two are based on plasmon energy data and the others on molecular weight, melting point, ionicity and energy gap. Three simple relations are proposed to calculate the value of Tm. They are based on plasmon energy, molecular weight and ionicity of the semiconductors. The average percentage deviation of all nine equations was calculated. In all cases, except one, it was estimated between 3.34 to 17.42 % for θD and between 2.37 to 10.45 % for Tm. However, in earlier correlations, it was reported between 10.59 to 33.38% for θD and 6.96 to 14.95% for Tm. The lower percentage deviation shows a significant improvement over the empirical relations proposed by earlier workers. The calculated values of θD and Tm from all equations are in good agreement with the available experimental values and the values reported by different workers. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
308.
Sirish K. Reddy Neil B. Cramer Allison K. O' Brien Tsali Cross Rishi Raj Christopher N. Bowman 《Macromolecular Symposia》2004,206(1):361-374
A novel thiol-ene photopolymerization reaction involving copolymerization of tetrathiol monomer with vinyl silazane is experimentally characterized and is modeled successfully. The overall polymerization rate is found to be controlled by the ratio of the propagation to chain transfer kinetic parameters. The polymerization rate of this mixture, in the presence of added photoinitiator, is approximately first order in ene functionality and is independent of thiol functional group concentration. Initiation rates in this system, when cured utilizing a light centered around 365 nm light, and in the presence of no added photoinitiator, are shown to be proportional to the ene monomer concentration. When the mixture is polymerized utilizing light centered at 254 nm light, and without photoinitiator, the initiation rates are proportional to the thiol monomer concentrations. This novel reaction scheme is further utilized to form ultra rapidly polymerizable polymer derived ceramic structures with high aspect ratios. 相似文献