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991.
Mehdi Bakavoli Mohammad Rahimizadeh Heidar Raissi Hamid Beyzaei Javad Tajabadi 《Monatshefte für Chemie / Chemical Monthly》2008,139(10):1211-1215
Reaction of sodium 2,2-dicyanoethene-1,1-bis(thiolate) with 2-chloroethylamine hydrochloride in water afforded the novel (Z)-5-amino-7-thioxo-2,3,4,7-tetrahydro-1,4-thiazepine-6-carbonitrile. The molecular geometry of the most stable tautomeric
structure was investigated with DFT and AIM at the B3LYP level of theory using the standard 6-31G** basis set.
Correspondence: Mehdi Bakavoli, Department of Chemistry, School of Science, Ferdowsi University, 91775-1436 Mashhad, Iran. 相似文献
992.
Abolghasem Davoodnia Mehdi Bakavoli Sharare Mohseni Niloofar Tavakoli-Hoseini 《Monatshefte für Chemie / Chemical Monthly》2008,139(8):963-965
Some new pyrido[3′,2′:4,5]thieno[2,3-e]-[1,2,4]triazolo[4,3-a] pyrimidin-5(4H)-ones were prepared through heterocyclization of ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate with phenyl or ethyl isothiocyanate followed by nucleophilic displacement with hydrazine, and finally
cyclocondensation with orthoesters.
Correspondence: Abolghasem Davoodnia, Department of Chemistry, School of Sciences, Islamic Azad University, Mashhad Branch,
Mashhad 91735-413, Iran. 相似文献
993.
Louis Pergaud Sandjo Paul Hannewald Mehdi Yemloul Gilbert Kirsch Bonaventure Tchaleu Ngadjui 《Helvetica chimica acta》2008,91(7):1326-1335
Two new ceramides, triumfettamide ( 1 ) and triumfettoside Ic ( 2 ), characterized as (2R,6Z)‐2‐hydroxy‐N‐[(2S,3S,4R)‐1,3,4‐trihydroxyhexacosan‐2‐yl]heptadec‐6‐enamide and (2R)‐N‐{(1S,2R,3E,6Z, 9Z,12Z,15Z)‐1‐[(β‐D ‐glucopyranosyloxy)methyl]‐2‐hydroxyheneicosa‐3,6,9,12,15‐pentaen‐1‐yl}‐2‐hydroxytetradecanamide, respectively, were isolated from the stems of Triumfetta cordifolia A. Rich. besides eight known secondary metabolites identified as heptadecanoic acid, β‐sitosterol glucopyranoside, friedelin, lupeol, betulin, maslinic acid, 2‐hydroxyoleanolic acid and the mixture of stigmasterol and β‐sitosterol. Their structures were determined on the basis of spectroscopic methods as well as HR‐MALDI‐FT‐ICR‐MS analysis, chemical transformation, and by comparison of their physical and spectral data with those reported in the literature and with authentic specimens for some known compounds. Five pentacyclic triterpenoids, friedelin, lupeol, betulin, maslinic acid, and 2‐hydroxyoleanolic acid, have been isolated from Triumfetta genus for the first time. 相似文献
994.
Fe(HSO4)3 has been used as an efficient and reeyclable catalyst for the one-pot synthesis of 14-aryl- or alkyl-14H-dibenzo[a,j]xanthene derivatives by the reaction of 2-naphtol and aldehydes. Different types of aromatic and aliphatic aldehydes are used in the reaction and in all cases the products were obtained in good to excellent yields. 相似文献
995.
A theoretical study on the first protonation step of a series of metal complexes with the general formula {M(N[(CH2)nNH2][(CH2)mNH2][(CH2)pNH2])2+} (n = m = p = 2, tren; n = 3, m = p = 2, pee; n = m = 3, p = 2, ppe; n = m = p = 3, tpt; n = 2, m = 3, p = 4, epb; and n = m = 3, p = 4, ppb; and M = Zn2+) was reported using both the Hartree-Fock and DFT (B3LYP) levels of theory. For the first time, two kinds of our recently published definitions for gas-phase proton affinities of polybasic ligands, proton microaffinity and proton macroaffinity, were extended to their metal complexes. There is a good correlation between the calculated gas-phase proton macroaffinities and the corresponding formation constants in solution. 相似文献
996.
The genes of eukaryotes are characterized by protein coding fragments, the exons, interrupted by introns, i.e., stretches of DNA which do not carry useful information for protein synthesis. We have analyzed the melting behavior of randomly selected human cDNA sequences obtained from genomic DNA by removing all introns. A clear correspondence is observed between exons and melting domains. This finding may provide new insights into the physical mechanisms underlying the evolution of genes. 相似文献
997.
Recently, we have developed an artificial neural network model, which was able to predict accurately the electrophoretic mobilities of relatively small peptides. To examine the robustness of this methodology, a 3-3-1 back-propagation artificial neural network (BP-ANN) model was developed using the same inputs as the previous model, which were the Offord's charge over mass term (Q/M(2/3)), corrected steric substituent constant (E(s,c)) and molar refractivity (MR). The data set consisted of 102 peptides with a larger range of size than that of our earlier report - up to 42 amino acid residues as compared to 13 amino acids in the initial study - that also included highly charged and hydrophobic peptides. The entire data set was obtained from the published result by Janini and co-workers. The results of this model are compared with those obtained using multiple linear regressions (MLR) model developed in this work and the multi-variable model released by Janini et al. Better predictive ability of the BP-ANN model over the MLR indicates the non-linear characteristics of the electrophoretic mobility of peptides. The present model exhibits better robustness than the MLR models in predicting CZE mobilities of a diverse data set at different experimental conditions. To explore the utility of the ANN model in simulation of the CZE peptide maps, the profiles for the endoproteinase digests of melittin, glucagon and horse cytochrome C is studied in the present work. 相似文献
998.
Transistors employing resonant tunneling injection of hot electrons into a thin quantum well base region have been fabricated. The base region in these transistors is formed by a narrow bandgap material like InGaAs so that the first level is a confined one lying below the Fermi level in the contact regions. This results in charge transfer into the bound state in the quantum well thus allowing independent control of the base electrostatic potential. Theoretical calculations showing the importance of various device parameters in the design of a resonant tunneling transistor are presented and preliminary results showing the capability of transistor action in such devices are presented. 相似文献
999.
Morteza Bahram Sima Mojarrad Mehdi Moghtader 《Journal of the Iranian Chemical Society》2018,15(4):779-786
Determination of pharmaceutical analytes has been subjected to many investigations, especially in transplantations in which accurate and precise detection of drugs is of importance. In this study, a simple and fast complexation reaction has been employed for simultaneous kinetic–spectrophotometric determination of two immunosuppressant drugs, mycophenolate mofetil and its active metabolite mycophenolic acid, which is based on the reaction between drugs and Fe(III) ions in the presence of sodium dodecyl sulfate as anionic surfactant by standard addition method. The effect of influential parameters including type of surfactant, concentration of Fe(III) ions and pH of the solution on the complexation reaction has been studied, and SDS was chosen as suitable surfactant, while reaction proceeds with 0.1 M Fe(III) at pH 4. Multivariate curve resolution-alternating least squares has been employed for analyzing the multiset data obtained from augmentation of resulting standard addition matrices. Values for limit of detection of method have been calculated as 4.88 and 1.62 µg mL?1 for mycophenolic acid and mycophenolate mofetil, respectively, and Beer’s law is obeyed over the concentration ranges 10–200 µg mL?1 for MPM and 50–250 µg mL?1 for MPA. The proposed method was successfully applied for determination of drugs in plasma serum samples. The accuracy and reliability of the method was further ascertained by recovery studies via standard addition procedure. 相似文献
1000.
Sayed Habib Kazemi Hojjat Kazemi Mehdi Kabiri-Samani M. A. Kiani 《Journal of the Iranian Chemical Society》2018,15(9):2117-2122
Herein, we introduce the application of nickel hydroxide nanosheets on the electro-etched carbon fiber (ECF) formed via a direct electrodeposition, for fabrication of asymmetric supercapacitor. To confirm the practical applicability of prepared Ni(OH)2–ECF, an asymmetric device was assembled using Ni(OH)2–ECF in combination with an activated carbon (AC) electrode. Our results showed a substantial cycling stability (96% capacitance retention after 10000 cycles) and considerable rate capability at large discharge currents (60% capacitance retention at 8 A g??1) for this asymmetric supercapacitor that may have originated from the good contact between Ni(OH)2 and ECF. A maximum specific capacitance of 88.1 F g??1 was achieved for Ni(OH)2–ECF//AC/CF device and showed considerable rate capability at large discharge currents (60% capacitance retention at 8 A g??1). The results of this study suggest the Ni(OH)2–ECF electrode is an excellent material for fabrication of supercapacitor electrodes. 相似文献