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71.
The effect of nitrogen doping on the magnetic properties of (ZnO)(n) clusters (n = 1-16) has been investigated using spin polarized density functional theory. The total energy calculations suggest that N is more stable at the O site than at the Zn site in (ZnO)(n) clusters and induces a magnetic moment of 1 μ(B)/N atom. The N-Zn-N configuration is more stable than isolated N for 3D structures. The N dopants do not show any tendency for clustering. The binding energy is found to decrease with the increase in the number of N dopants. The magnetic moment increases gradually with the increase in the number of atoms with 1 μ(B)/N atom for n ≤ 4 and less than 1 μ(B)/N for n > 4. The local magnetic moment is mainly localized at the N site with a small magnetic moment induced at the O site. The presence of a Zn vacancy (V(Zn)) induced an additional magnetic moment of 2 μ(B) on the nearest O atoms. The N dopant prefers to form a N-V(Zn) pair. The combination of N and V(Zn) in 3D structures leads to a total magnetic moment of 3 μB. The Mulliken charge transfers from Zn to N and O in all N doped (ZnO)(n) clusters. The calculated results are consistent with existing experimental and theoretical results. 相似文献
72.
The crystallization and glass transition kinetics using differential scanning calorimetry (DSC) in 50AgI–33.33Ag2O–16.67[(V2O5)1−x
–(MoO3)
x
] superionic glassy system is discussed. Thermal stability of glass, studied using various criteria, does not vary significantly
with glass former variation. However, the activation energies for structural relaxation (E
s) at glass transition temperature and crystallization (E
c) obtained using Moynihan and Kissinger, Matusita-Sakka formulations found to exhibit interesting trends with MoO3 substitution in the glass matrix. It is noticed that the electrical conductivity (σ)–temperature (T) cycles obtained at a typical heating rate of 1 °C/min do exhibit significant thermal events. The conductivity after first
heating cycle at room temperature is found to be increasing with MoO3 content and maximum for x = 0.3 (~10−3 Ω−1 cm−1 at 30 °C) which is comparable to that of the host 50AgI–33.33Ag2O–16.67V2O5 glassy system. The parameters obtained from σ–T plots and DSC scans do complement each other in a particular range of composition. 相似文献
73.
A. K. Umbetova M. I. Choudhary N. A. Sultanova G. Sh. Burasheva Zh. A. Abilov 《Chemistry of Natural Compounds》2006,42(3):332-335
The taraxeran-14-ene-type triterpenoids methyl 3-β-al-D-fridoolean-14-en-28-oate (1), 3-α-[3″,4′-dihydroxytrans-cinnamoyl]-oxy-D-fridoolean-14-en-28-oic acid (2), and β-sitosterol (3) were isolated from the aerial part of plants from the genus Tamarix (T. laxa, T. elongata) (Tamaricaceae). The structures of the triterpenoids were proved using spectral data (IR, UV, PMR, 13C NMR, 2D NMR 1H-1H COSY, HMQC, HMBC, mass). Compound 1 is new and not previously described in the literature.
__________
Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 271–273, May–June, 2006. 相似文献
74.
ViqarUddin Ahmad MuhammadAthar Abbasi Muhammad Zubair Naheed Fatima Umar Farooq M.Iqbal Choudhary 《Helvetica chimica acta》2004,87(1):67-72
Phytochemical investigation of Symplocos racemosa resulted in the isolation of two new glycosides, symploracemoside ( 1 ) and symplomoside ( 2 ), which are structurally related to the reported benzoylsalireposide ( 3 ) and salireposide ( 4 ). The structure elucidation of the isolated compounds was based primarily on 1D‐ and 2D‐NMR analysis, including COSY, NOESY, HMQC, and HMBC correlations. These glycosides showed inhibitory activity against snake‐venom phosphodiesterase I. 相似文献
75.
Twelve new germanium substituted diphenyltin dipropionates with the general formula (R1GeCHR2‐CHR3COO)2SnPh2 where R1 = N(CH2CH2O)3, (C6H5)3 and (CH3C6H4)3, R2 = H, CH3, C6H5, p‐CH3C6H4, p‐CH3OC6H4, p‐ClC6H4, and R3 = H, CH3 have been synthesized by the reaction of diphenyltin oxide with a germanium substituted propionic acid. All the compounds were characterized by elemental analysis, IR, multi‐nuclear (1H, 13C, 119Sn) NMR and Mössbauer spectroscopies as well as mass spectrometry. The in vitro antibacterial activity of selected compounds is also reported. 相似文献
76.
Jesik R Abramov V Antipov Y Baldin B Crittenden R Dauwe L Davis C Denisov S Dyshkant A Dzierba A Glebov V Goldberg H Gribushin A Koreshev V Krider J Krinitsyn A Li R Margulies S Marshall T Martin J Mendez H Petrukhin A Sirotenko V Smith P Solomon J Sulanke T Sulyaev R Vaca F Zieminski A Blusk S Bromberg C Chang P Choudhary B Chung W de Barbaro L Dlugosz W Dunlea J Engels E Fanourakis G Ginther G Hartman K Huston J Kapoor V Lirakis C Lobkowicz F Mani S Mansour J Maul A Miller R Oh B Pothier E 《Physical review letters》1995,74(4):495-498
77.
Abachi S Abbott B Abolins M Acharya BS Adam I Adams DL Adams M Ahn S Aihara H Alvarez G Alves GA Amos N Anderson EW Antipov Y Aronson SH Astur R Avery RE Baden A Balamurali V Balderston J Baldin B Bantly J Bartlett JF Bazizi K Behnke T Bendich J Beri SB Bezzubov V Bhat PC Bhatnagar V Biswas N Blazey G Blessing S Boehnlein A Borcherding F Borders J Bozko N Brandt A Brock R Bross A Buchholz D Burtovoi V Butler JM Callot OH Castilla-Valdez H Chakraborty D Chekulaev S Chen J Chen L Chen W 《Physical review letters》1994,72(14):2138-2142
78.
Kalkote Uttam Ramrao Choudhary Anil Ramkumar Natu Arvind Anant Ayyangar Nagaraja Ramanuja 《合成通讯》2013,43(10-11):1129-1135
1-Alkylaminoanthraquinones ( 2 a-f) and 1,4-bisalkylaminoanthraquinones ( 4 a-c) were prepared from aminoanthraquinones ( 1,3 ) by alkylation with alkyl sulphate/alkyl halide in presence of powdered sodium hydroxide, potassium carbonate and phase transfer catalyst. 相似文献
79.
Ahmad VU Zubair M Athar Abbasi M Abid Rashid M Rasool N Nahar Khan S Iqbal Choudhary M Kousar F 《Magnetic resonance in chemistry : MRC》2005,43(6):486-488
The investigation of the chemical constituents of Symplocos racemosa Roxb led to the isolation of two new glycosides, symcomoside A (1) and symcomoside B (2), together with one known glycoside, tortoside C (3), which is reported for the first time from this plant. The structures of the new compounds were determined by 1D and 2D homonuclear and heteronuclear NMR spectroscopy, from chemical evidence and by comparison with published data for closely related compounds. Symcomoside B (2) showed potent inhibitory activity against alpha-glucosidase in a concentration-dependent fashion with an IC50 value of 0.733 +/- 0.033 mM whereas symcomoside A (1) showed very weak inhibitory activity against alpha-glucosidase (9.90% in 0.70 mM). 相似文献
80.
Abachi S Abbott B Abolins M Acharya BS Adam I Adams DL Adams M Ahn S Aihara H Alitti J Álvarez G Alves GA Amidi E Amos N Anderson EW Aronson SH Astur R Avery RE Baden A Balamurali V Balderston J Baldin B Bantly J Bartlett JF Bazizi K Bendich J Beri SB Bertram I Bezzubov VA Bhat PC Bhatnagar V Bhattacharjee M Bischoff A Biswas N Blazey G Blessing S Boehnlein A Bojko NI Borcherding F Borders J Boswell C Brandt A Brock R Bross A Buchholz D Burtovoi VS Butler JM Casey D Castilla-Valdez H 《Physical review letters》1995,75(6):1023-1027