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81.
82.
Tingzhuang Han Guangsheng Huang Yougen Wang Guangang Wang Yanchun Zhao Fusheng Pan 《自然科学进展(英文版)》2016,26(1):97-102
The effects of V-bending process, continuous bending process and combination process on the microstructure and mechanical properties and formability of an AZ31 magnesium alloy sheet were investigated. The experimental results showed that no twins were found in the microstructure of all samples after processes due to the fine grain. The V-bending and continuous bending processes were proved to be an effective approach to modify the mechanical properties and formability. While the samples after the combination process exhibited better mechanical properties and formability than the single processed sample. The yield strength significantly decreased with the value of 100 MPa and the fracture elongation enhanced to 18.3% at room temperature. The Erichsen value was 5.0 mm which was significantly increased by 117% compared with as-received sample. The superior formability of combination processed samples was mainly attributed to the smaller r-value and n-value. 相似文献
83.
Due to the rigid structure of 1,3,5-triaza-7-phosphaadamantane (PTA), its 31P chemical shift solely depends on non-covalent interactions in which the molecule is involved. The maximum range of change caused by the most common of these, hydrogen bonding, is only 6 ppm, because the active site is one of the PTA nitrogen atoms. In contrast, when the PTA phosphorus atom is coordinated to a metal, the range of change exceeds 100 ppm. This feature can be used to support or reject specific structural models of organometallic transition metal complexes in solution by comparing the experimental and Density Functional Theory (DFT) calculated values of this 31P chemical shift. This approach has been tested on a variety of the metals of groups 8–12 and molecular structures. General recommendations for appropriate basis sets are reported. 相似文献
84.
Trehalose-protected lipid membranes for determining membrane protein structure and insertion 总被引:1,自引:0,他引:1
Tang M Waring AJ Hong M 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2007,184(2):222-227
Trehalose preserves lipid bilayers during dehydration and rehydration by replacing water to form hydrogen bonds between its own OH groups and lipid headgroups. We compare the lipid conformation and dynamics between trehalose-protected lyophilized membranes and hydrated membranes, to assess the suitability of the trehalose-containing membrane as a matrix for membrane protein structure determination. (31)P spectra indicate that the lipid headgroup of trehalose-protected dry POPC membrane (TRE-POPC) have an effective phase transition temperature that is approximately 50K higher than that of the hydrated POPC membrane. In contrast, the acyl chains have similar transition temperatures in the two membranes. Intramolecular lipid (13)C'-(31)P distances are the same in TRE-POPC and crystalline POPC, indicating that the lipid headgroup and glycerol backbone conformation is unaffected by trehalose incorporation. Intermolecular (13)C-(31)P distances between a membrane peptide and the lipid headgroups are 10% longer in the hydrated membrane at 226 K than in the trehalose-protected dry membrane at 253 K. This is attributed to residual motions in the hydrated membrane, manifested by the reduced (31)P chemical shift anisotropy, even at the low temperature of 226 K. Thus, trehalose lyoprotection facilitates the study of membrane protein structure by allowing experiments to be conducted at higher temperatures than possible with the hydrated membranes. 相似文献
85.
The muscle metabolism of at-rest patients with varying degrees of postpolio residual paralysis (PPRP) was studied and compared with that of controls using in vivo phosphorus magnetic resonance spectroscopy. The phosphocreatine (PCr)/inorganic phosphate (Pi) and PCr/adenosine triphosphate ratios were lower in patients than in controls. Reduction in PCr/Pi suggests abnormalities in oxidative phosphorylation. A significant increase was observed in the phosphomonoester/PCr ratio in patients, indicating the accumulation of intermediary compounds of the glycolytic pathway. Furthermore, the phosphodiester/PCr ratio was also significantly increased in patients. In general, the observed changes in metabolite ratios were found to be related to the degree of residual paralysis, suggesting that metabolic changes are secondary to chronic neurogenic processes. These metabolic alterations appear to be the possible cause of energy deficit and underlying muscle fatigue in PPRP patients. The present results provide an insight into the metabolic impairment and degree of muscle damage in patients with PPRP. 相似文献
86.
We have performed first-principles calculations using full-potential augmented-plane-wave method to investigate the fundamental properties of the Cd1–xZnxTe alloys. The composition dependence of the lattice constant and the bulk modulus have been estimated from total energy calculations. By means of the analytical fitting the band structures in the vicinity of the Brillouin center a complete set of effective electron- and hole-masses have also been derived. In order to further understand the effects of the chemical bonding on the above macroscopic properties we then studied the relaxation behaviors and the changes of the electronic states upon alloying for x=0.25 system. The results presented here yield a general understanding of the fundamental properties for the Cd1–xZnxTe crystals studies. 相似文献
87.
We extend the result of Lavrentiev which asserts that the harmonic measure and the arc-length measure are A∞ equivalent in a chord-arc Jordan domain. By using this result we extend the classical result of Lindelöf to the class of quasiconformal (q.c.) harmonic mappings by proving the following assertion. Assume that f is a quasiconformal harmonic mapping of the unit disk U onto a Jordan domain. Then the function A(z)=arg?(∂φ(f(z))/z) where z=reiφ, is well-defined and smooth in U?={z:0<|z|<1} and has a continuous extension to the boundary of the unit disk if and only if the image domain has C1 boundary. 相似文献
88.
El Houssine MABROUK Nadia ARROUSSE Adil KORCHI Mohammed LACHGAR Ahmad OUBAIR Abdelrhani ELACHQAR Mohamed JABHA Mohammed LACHKAR Fadoua El HAJJAJI Zakia RAIS Mustapha TALEB 《高等学校化学研究》2020,36(6):1183-1189
The α-amino acid derivatives constitute a class of compounds of particular medicinal and synthetic attention and considerable interest has been devoted to their synthesis in recent years. In the present work, we develop the computational study of the synthesis reaction of new pyrazolyl α-amino esters derivatives using the Gaussian 09 based on the DFT/B3LYP density functional theory method, with the base 6-31G(d, p) to ensure the possibility of carrying out these reactions within the laboratory of synthesis. Indeed, this research has encouraged us to establish an economical synthesis strategy of these products in overall yields of 73.5% to 87% to have access to new active biomolecule through the O-alkylation reaction between methyl α-azidoglycinate N-benzoylated and primary pyrazole alcohols[(3,5-dimethyl-1H-pyrazol-1-yl)methanol, (1H-pyrazol-1-yl)methanol and (3-ethoxy-5-methyl-1H-pyrazol-1-yl)methanol] under different operating conditions. The structure of the prepared heterocyclic systems was characterized by conventional spectroscopic techniques, like 1H NMR, 13C NMR, and MS. The results revealed that the experimental study is in good correlation with the computational one. 相似文献
89.
Saskia Menzel Konstantinos D. Demadis Christoph Janiak 《Phosphorus, sulfur, and silicon and the related elements》2020,195(10):830-835
AbstractThe fully deprotonated anion of 1,3,5-benzene-triphosphonic acid 1,3,5-C6H3[PO32?]3 gives rise to deceptively simple 1H and 31P NMR spectra due to a corresponding [AX]3 spin system. The 13C{1H} NMR spectrum reveals two 13C isotopomers which are identified via AXX′2 systems. Results from analysis and iteration are described. 相似文献
90.
New alkyl-substituted phosphorus phthalocyanines and triazatetrabenzocorroles were synthesized. The structures of these complexes
were confirmed by 1H, 13C, and 31P NMR spectroscopy, mass spectrometry, and electronic absorption spectroscopy.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1403–1407, July, 2007. 相似文献