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21.
Spiro [3H-indole-3,2′-[4H] pyrido [3,2-e]-1,3-thiazine]-2,4′ (1H) diones, a class of previously unknown compound which does not form under conventional conditions, can be prepared by treatment of ‘in situ’ generated 3-indolylimine derivatives with 2-mercaptonicotinic acid under microwave irradiation in absence of any solvent or solid support in 85-92% yields in 3-8 min. The facile one pot reaction is generalized for a variety of ketones and amines to give pure pyrido [3,2-e] thiazine derivatives, which do not require further purification processes. 相似文献
22.
Numerical Algorithms - A parabolic convection-diffusion-reaction problem is discretized by the non-symmetric interior penalty Galerkin (NIPG) method in space and discontinuous Galerkin (DG) method... 相似文献
23.
Tapan K. Chattopadhyay Rex A Palmer Daruka Mahadevan 《Journal of chemical crystallography》1995,25(4):195-199
The crystal and molecular structure of pindolol, 1-(1H indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol, has been determined by direct methods. Crystals are tetragonal,
,a=b=15.809(4),c=11.246(2) Å,Z=8,D
c=1.174 mg m–3. The finalR-factor for 2271 reflections withI>2(I) is 0.038. Refinement by full-matrix least-squares on F2 also enabled the absolute configuration of the structure to be established. The molecule is essentially planar, including much of the side-chain which is stabilized by the existence of two intramolecular H-bonds, between the ethyl oxygen and OH group, and between the OH and side-chain amide groups, respectively. The crystal structure is formed by three intermolecular hydrogen bonds including two side-chain-side-chain interactions, between ethyl oxygen to amide and OH to amide, and an interaction between the side-chain OH to indole NH. 相似文献
24.
W. Henggeler T. Chattopadhyay B. Roessli D. I. Zhigunov S. N. Barilo A. Furrer 《Zeitschrift für Physik B Condensed Matter》1995,99(4):465-467
We performed inelastic neutron scattering experiments to determine the dispersion of the Г 6 (1) -Г 6 (2) crystal field excitation in Nd2CuO4. Our results can be very well described within the random phase approximation model. This allows a direct determination of the exchange coupling constants between the Nd ions. The superexchange interactions mediated by the oxygen and copper-oxygen layers are determined to be significantly stronger than the in-plane exchange between the Nd ions. 相似文献
25.
Ingo Althöfer Gautam Das David Dobkin Deborah Joseph José Soares 《Discrete and Computational Geometry》1993,9(1):81-100
Given a graphG, a subgraphG' is at-spanner ofG if, for everyu,v V, the distance fromu tov inG' is at mostt times longer than the distance inG. In this paper we give a simple algorithm for constructing sparse spanners for arbitrary weighted graphs. We then apply this algorithm to obtain specific results for planar graphs and Euclidean graphs. We discuss the optimality of our results and present several nearly matching lower bounds.The work of G. Das and D. Joseph was supported by NSF PYI Grant DCR-8402375. The work of D. Dobkin was supported by NSF Grant CCR-8700917. The work of J. Soares was supported by CNPq proc 203039/87.4 (Brazil) and NSF Grant CCR-9014562. This research was accomplished while G. Das was a student at the University of Wisconsin-Madison. A preliminary version was presented at the Second Scandinavian Workshop on Algorithm Theory, Bergen, Norway, 1990, under the title Generating Sparse Spanners for Weighted Graphs, and proceedings appear in the series Lecture Notes in Computer Science, Springer-Verlag. The preliminary version also appears as Princeton University Technical Report CS-TR-261-90, and as University of Wisconsin-Madison Computer Sciences Technical Report 882. 相似文献
26.
Rapid dissolution procedure for base-metals-bearing complex materials for quality control assessment
A less labour-intensive method, involving a mixture of 1.0 g MnO2 + 20 mL HCl (11), is proposed for decomposing seven ores and six metallurgical products for accurate and precise estimation of copper, lead, zinc, cobalt and nickel for quality control assessment. Twentyone international reference materials were also analysed. Results of regression analyses are presented and intermethod comparison studies reveal that the probability of results being different compared with a reference method was less than 1%. Sample decomposition is straightforward and the method has been found to be very simple, rapid and easily adaptable, as it involves no separation of the analyte from the matrix elements. 相似文献
27.
The compatibility of cast films of a vinylchloride–vinylacetate–maleic acid terpolymer (VMCH) and nitrocellulose (NC) blends is influenced by solvents. Transparent films of VMCH/NC blends are obtained when cast from solvents such as tetrahydrofuran or cyclohexanone, whereas hazy films are obtained when cast from solvents such as acetone or ethylacetate. Visible spectroscopy and phase morphology were used to analyse the compatibility–incompatibility of the blend. Differential scanning calorimetry (DSC) studies demonstrate that the transparent film is compatible, but the hazy film is incompatible. Fourier transform infra-red (FTIR) studies establish that a greater interaction is observed between the polymer pair in case of the compatible blend than in the case of the incompatible blend. A solvent dependency of blend compatibility is reflected in this study. The conformational state of the polymers in solution, which is responsible for the compatibility phenomena, may depend on the donor number and/or Taft-β value of the solvent. The greater the donor number and/or the Taft-β value, the higher may be the level of interaction between the solvent and the polymer molecules, which in turn may give a compatible blend after removal of the solvent. 相似文献
28.
Greco MN Hawkins MJ Powell ET Almond HR Corcoran TW de Garavilla L Kauffman JA Recacha R Chattopadhyay D Andrade-Gordon P Maryanoff BE 《Journal of the American Chemical Society》2002,124(15):3810-3811
The serine protease cathepsin G (EC 3.4.21.20; Cat G), which is stored in the azurophilic granules of neutrophils (polymorphonuclear leukocytes) and released on degranulation, has been implicated in various pathological conditions associated with inflammation. By employing high-throughput screening, we identified beta-ketophosphonic acid 1 as a moderate inhibitor of Cat G (IC(50) = 4.1 microM). We were fortunate to obtain a cocrystal of 1 with Cat G and solve its structure by X-ray crystallography (3.5 A). Structural details from the X-ray analysis of 1.Cat G served as a platform for optimization of this lead compound by structure-based drug design. With the aid of molecular modeling, substituents were attached to the 3-position of the 2-naphthyl ring of 1, which occupies the S1 pocket of Cat G, to provide an extension into the hydrophobic S3 region. Thus, we arrived at analogue 7 with an 80-fold potency improvement over 1 (IC(50) = 53 nM). From these results, it is evident that the beta-ketophosphonic acid unit can form the basis for a novel class of serine protease inhibitors. 相似文献
29.
Philpott's theory of vibronic transitions of substitutional impurities in molecular crystals has been examined. The lowest energy guest transition in a number of mixed crystals has been calculated and compared with experiment. Satisfactory agreement is achieved. In some cases consideration of charge overlap of the guest and nearest host gives better agreement. 相似文献
30.
P. Ramachandra T. Siva Rama Krishna Gautam R. Desiraju 《Journal of Chemical Sciences》1989,101(4):327-334
The compound 3-hydroxy-6-(4′-nitro)phenylazopyridine (1) was observed to incorporate several organic solvents of crystallisation, forming stable clathrates. These clathrates decompose
upon heating and the host material is chemically transformed. Single crystal X-ray diffraction studies on the ethanol clathrate
lead to a reasonable model for the host structure. But the guest molecules are severely disordered. Alternatively, the compound
forms twinned crystals. The chemically closely related compound2 does not form clathrates. 相似文献