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1.
An energy-dependent partitioning scheme is explored for extracting a small number of eigenvalues of a real symmetric matrix with the help of genetic algorithm. The proposed method is tested with matrices of different sizes (30 × 30 to 1000 × 1000). Comparison is made with Löwdin’s strategy for solving the problem. The relative advantages and disadvantages of the GA-based method are analyzed 相似文献
2.
Boruah A Rao IN Nandy JP Kumar SK Kunwar AC Iqbal J 《The Journal of organic chemistry》2003,68(12):5006-5008
A cis-proline derived cyclic mimic of a type VI beta-turn is synthesized via a ring-closing metathesis reaction. The solution NMR conformational study indicates that the major conformer of the cyclic peptide adopts a type VIa beta-turn in CDCl(3) and a type VIb beta-turn in DMSO-d(6). 相似文献
3.
Nandy JP Prabhakaran EN Kumar SK Kunwar AC Iqbal J 《The Journal of organic chemistry》2003,68(5):1679-1692
A novel chemo- and diastereoselective aerobic epoxidation of the N-cinnamoyl peptides catalyzed by polyaniline-supported cobalt(II) salen (PASCOS) is described. The N-cinnamoyl proline derived peptides 1 show a high pi-facial selectivity during these epoxidations. The origin of this diastereoselectivity in 1 has been attributed to (i) the propensity of the N-cinnamoyl proline amide to exist predominantly as trans rotamer in CDCl3, DMSO-d6, and CH3CN medium and (ii) existence of these peptides as organized structures (gamma- and beta-turns) due to the presence of intramolecular hydrogen bonds. An extensive solution NMR and MD simulation study on 1d and 1f indicates that the origin of the high pi-facial selectivity is due to the well-defined gamma- and beta-turns which result in the hindrance of one face of the cinnamoyl double bond in the transition state of the epoxidation reaction. 相似文献
4.
Singha K Roy A Dutta PK Tripathi S Sahabuddin S Achari B Mandal SB 《The Journal of organic chemistry》2004,69(19):6507-6510
A simple synthesis of chiral spironucleosides and spirobisnucleosides is described. Intramolecular 1,3-dipolar nitrone cycloaddition reaction of d-glucose-derived precursors having olefin at C-3 and nitrone at C-5, C-1, or C-2 (in nor-series) furnished bisisoxazolidinospirocycles 4-7, 11, and 12 in good yields. Reductive ring opening of the isoxazolidine moieties in 4-6 followed by construction of a nucleoside base upon the generated amino groups smoothly yielded spirobisnucleosides 17 and 18 and spironucleosides 20 and 21. 相似文献
5.
Nucleotide composition and distribution along a DNA sequence is known to play a vital role in the determination of gene functions. Protein coding regions, regulatory sequences, and other functional regions are determined generally by homology studies with comparable genes from other species or specific experimental verification. With the rapid and explosive increase in sequence information, new computational techniques for rapid determination of such information and comparative studies of different genes are becoming necessary which ideally should encompass not only DNA sequences but other macromolecular sequences as well. 相似文献
6.
Polycondensation of the diacid chloride of 2-(3-carboxy vinyl)phenyl-1,3-dioxoisoindoline-5-carboxylic acid with m-phenylenediamine and the diacid chloride of 2-(4-carboxy phenyl)-1,3-dioxoisoindoline-5-carboxylic acid with 1,5-bis(3-aminophenyl)1,4-pentadien-3-one was carried out in polar solvents to produce new unsaturated polyamide–imides. The solution and the thermal, electrical, and a few other properties of the polymers were studies. The polymers were soluble in highly polar solvents. The solubility parameter of the polymers was calculated from the Small's group contribution. The polymers were fairly thermostable and underwent crosslinking creaction when heated, preferably in the presence of a suitable catalyst. The crosslinked polymers were in soluble even in highly polar solvents and possessed higher thermal stability. The swelling behavior of the polymers was studied and the molecular weight between two consecutive crosslinks was determined. X-ray diffraction and the dielectric properties of the polymers and their crosslinked products were also studied. 相似文献
7.
Organic halides absorbed without solvent onto sodium phenylsulfinate on alumina (1) gave phenylsulfones (2) under microwave or ultrasound activation. 相似文献
8.
9.
The graft copolymerization of methyl methacrylate onto poly-(ethylene terephthalate) using metal complexes of Mn3+, Co3+, and Fe3+ as initiators was studied. The rate of polymerization, Rp, increased with increasing complex concentrations. The rate of polymerization was also studied by varying monomer concentrations. Increasing monomer concentrations, the rate of polymerization increases significantly. The graft yield increases with increasing temperature within the range 60–75°C. The graft yield is medium dependent. A suitable kinetic scheme has been pictured and rate equations have been derived. 相似文献
10.
Subramanya Hegde Jayadevan Jayashankaran Atanu Ghosal T.S.R Prasanna Y. Shivaraj K. Mohana Raju 《Journal of heterocyclic chemistry》2013,50(2):442-449
A straightforward and general approach for the stereoselective synthesis of fused pyrrolo[1,2‐a] indoles frameworks from>intramolecular 1,3‐dipolar cycloaddition using N‐alkylated Baylis–Hillman derivatives is presented. It was found that the cycloaddition proceeded efficiently under microwave irradiation in solvent‐free condition to afford highly stereoselective cycloadducts in good yield. 相似文献