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41.
Bhaskar Das Amit Kar Rudranil Bhowmik Sanmoy Karmakar Satyajit Tripathy Motlalepula G. Matsabisa Pulok Kumar Mukherjee 《Molecules (Basel, Switzerland)》2022,27(4)
A South African traditional formulation, PHELA®, is consumed by the traditional people for severe chest problems with coughing, diarrhea, oral ulcers etc. The present study focused on establishing the anti-infective properties of a safe and standardized poly-herbal formulation through a series of criteria and specifications. 相似文献
42.
Janos Karátson 《Central European Journal of Mathematics》2012,10(1):231-249
This paper is devoted to the numerical solution of nonlinear elliptic partial differential equations. Such problems describe
various phenomena in science. An approach that exploits Hilbert space theory in the numerical study of elliptic PDEs is the
idea of preconditioning operators. In this survey paper we briefly summarize the main lines of this theory with various applications. 相似文献
43.
Bilirubin and biliverdin analogs bearing bulky adamantyl and tert-butyl groups at the central C(10) position were synthesized and their structures were analyzed by nmr and ultraviolet-visible spectroscopy and by molecular mechanics calculations, all of which collectively indicated a preference for helical conformations. 相似文献
44.
Fifty different carbon–hydrogen distances have been predicted from ab initio MP2/6-311+G(d,p) calculations, which range from a short value of 1.0611 Å for HCNO to a long value of 1.1044 Å for H2CO. The values include those predicted for a series of methyl (CH3) moieties where the two different C–H distances vary by as much as 0.005 Å. These predicted values are compared to r
0(C–H) distances obtained from the isolated carbon–hydrogen stretching frequencies, as well as to r
0 or r
s
parameters obtained from microwave data. Except for the very short C–H bonds, the ab initio values from the MP2/6–311+G(d,p) calculations can be used for the carbon–hydrogen distances with error limits of ± 0.003 Å. By utilizing the spectral data from CD3CClO, it is shown that combination bands in the C–H stretching region could cause problems in the identification of the isolated C–H stretching frequency from the CD2HCClO isotopomer. The value of the ab initio predicted C–H distances for checking unusually long or short r
s
(C–H) or r
0 values is demonstrated. 相似文献
45.
In this article, we first investigate the bending of light rays in 4D line elements representing spherically symmetric, static on–brane geometries. The amount of bending in these four dimensional, strong and weak field solutions is derived. Signatures, which appear in the bending formulae, due to the presence of extra dimensions are discussed. Subsequently, as a separate exercise, we calculate the bending of null geodesic trajectories in a bulk five dimensional spacetime with a Schwarzschild line element on the 3-brane section. We interpret the deviation of null trajectories as that of gravitational signals or five dimensional photons, which are, unlike light rays confined to four dimensions, allowed to propagate along the fifth (extra) dimension. Features of the presence of extra dimensions in the effective potentials and the bending formula are analysed in this context. 相似文献
46.
Clark RD Kar J Akella L Soltanshahi F 《Journal of chemical information and computer sciences》2003,43(3):829-836
Optimizable k-dissimilarity (OptiSim) selection entails drawing a series of subsamples of size k from a population and choosing the "best" candidate from each such subsample for inclusion in the selection set. By varying the size of the subsample, one can control the balance between representativeness and diversity in the selection set obtained. In the original formulation, a uniform random sampling from among valid candidates was used to draw the subsamples from a single target population. Here we describe in detail two key modifications that serve to extend the OptiSim methodology to vector selection for interdependent variables, specifically as applied to the design of combinatorial sublibraries. The first modification involves pivoting between variables: subsamples are drawn from each reagent pool in turn, with the viability of each candidate being evaluated in isolation as well as in terms of the products it will produce from complementary reagents already selected. The filters applied may be static or dynamic in nature, with molecular weight and hydrophobicity being examples of the former and structural diversity with respect to reagents already selected being an example of the latter. The second key modification is adding the ability to bias the selection of candidate reagents for inclusion in the subsamples. Taken together, these modifications support the efficient generation of multiblock and other sparse matrix designs that are both representative and diverse, and for which "backfilling" of designs edited to remove undesirable reagents or products is straightforward. The method is intrinsically fast and efficient, since enumeration of the full combinatorial is not required- only those candidates actually considered for inclusion need be evaluated. Moreover, because the subsample selection step is separate from the diversity-based selection of the "best" candidate, incorporating such bias in favor of a competing criterion such as low price provides a "natural," nonparametric mechanism for generating designs that are likely to be "good" in a double-objective, Pareto sense. 相似文献
47.
Karásek P Planeta J Varad'ová Ostrá E Mikesová M Goliás J Roth M Vejrosta J 《Journal of chromatography. A》2003,1002(1-2):13-23
Direct supercritical fluid extraction (SFE) of wines with carbon dioxide was compared to SFE of the sorbent used for solid-phase extraction of the same wine samples (SPE-SFE). Compared to SPE-SFE, the direct SFE results in amore specific and representative gas chromatographic fingerprint of the wine sample. The multivariate statistical processing of the direct SFE-GC data provides a clear-cut and sharp discrimination among the individual wine varieties while the discrimination based on the SPE-SFE-GC data is relatively poor. This finding reflects the adverse effects of additional analyte-sorbent interactions and sorption/desorption steps involved in SPE-SFE. 相似文献
48.
The effects of hot-dense plasmas on the bound states and the dipole polarizability of the ground state of Coulomb three-body molecular ion H+2 have been investigated using highly correlated basis functions and by considering the Debye shielding approach of plasma modeling. The ground S state and the first excited P state energies along with the dipole polarizability for different shielding parameters are reported. 相似文献
49.
Karthik Arumugam Mallikarjuna Rao Chamallamudi Ravindranath Reddy Gilibili Ramesh Mullangi Subramanian Ganesan Sidhartha S Kar Ranjithkumar Averineni Gopal Shavi Nayanabhirama Udupa 《Biomedical chromatography : BMC》2011,25(3):353-361
A sensitive, specific and accurate HPLC method for the quantification of rivastigmine (RSM) in rat urine was developed and validated. The method involves the simple liquid–liquid extraction of RSM and pyridostigmine as an internal standard (IS) from rat urine with tertiary methyl butyl ether. The chromatographic separation of RSM and IS was achieved with 20 mm ammonium acetate buffer (pH 6.5) and acetonitrile (65:35, v/v) delivered at flow‐rate of 1 mL/min on a Kromasil KR‐100. The method was in linear range from 50 to 5000 ng/mL. The validation was done as per FDA guidelines and the results met the acceptance criteria. The method was successfully applied for the quantification of RSM in rat urine. Besides method validation, we have identified two metabolites of RSM in urine. Both the metabolites were characterized by HPLC‐PDA and LC‐MS/MS and it was found that one metabolite is novel. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
50.