An automatic procedure for building a protein polyalanine backbone from guiding alpha-carbon positions is presented here,which is different from a previously developed'spare parts'approach(Jones and Thirup,198...An automatic procedure for building a protein polyalanine backbone from guiding alpha-carbon positions is presented here,which is different from a previously developed'spare parts'approach(Jones and Thirup,1986;Claessens et al.,1989). In our procedure,the geometric restraint of angle N-CA-C is used to generate a list of polypeptide chains,and several filters are used later to select the best conformer.The most important filter is based upon the Ramachandran scatter plot of mainchain dihedral angles PHI and PSI.Results for all test cases are satisfactory,with more than 95%of peptide planes correctly reconstructed and the overall root-mean-square deviation less than 0.5 angstrom compared with the refined X-ray coordinates.展开更多
A new iron based catalyst 2,6\|bis[(1\|fluorenylimino)ethyl] pyridine iron dicloride (2) was synthesized via Shiff base condensation with 2,6\|diacetylpyridine and 9\|aminofluorene hydrochloride under formic acid as c...A new iron based catalyst 2,6\|bis[(1\|fluorenylimino)ethyl] pyridine iron dicloride (2) was synthesized via Shiff base condensation with 2,6\|diacetylpyridine and 9\|aminofluorene hydrochloride under formic acid as catalyst.Ethylene oligomerizations were carried out using this new catalyst and methylaluminoxane as cocatalyst under various conditions.The effects of Al/Fe molar ratio,reaction temperature and ethylene pressure on catalytic activity and product distribution were investigated.This novel catalyst had a good activity for ethylene oligomerization (e.g. 4 21×10 6g oligomers\5mol -1 Fe·h -1 ,Al/Fe molar ratio=2000,reaction temperature=40℃,ethylene pressure=1 5?MPa).The catalytic activity increased with the increasing concentration of MAO.The tendency to produce more C 4～C 10 olefins was attributed to the more chain transfer reactions to MAO.The higher the reaction temperature,the lower catalytic activity was present.The reasonable explanation was the combination of the accelerated catalyst’s deactivation and the decrease in ethylene concentration in solvent due to the elevated temperature.Under such condition,however,the oligomerization of ethylene produced more short chain olefins which are adapted to act as comonomers for preparation of linear low density polyethylene materials.Ethylene pressure in autoclave also had an important influence on catalytic activity and carbon\|number distribution of product.The catalytic activity increased sharply with the elevated ethylene pressure.However,the proportion of C 4～C 10 olefins in product decreased in higher pressure due to the enhanced chain propagation reaction.The research work indicated that the control of catalytic activity and product distribution can be realized by the variation of oligomerization conditions such as Al/Fe molar ratio,reaction temperature and ethylene pressure.The results also showed that the ethylene oligomerization employing this novel iron\|based catalyst mainly produces the C 4～C 10 olefins with high selectivity for linear C 4～C 10 α \|olefin (>98%).展开更多
A hot-rolled deep drawing (HDD) steel with high r-value and uniformdistribution of {111} texture in thickness was developed by hot rolling in ferrite region withlubricating between the roller and the steel. The experi...A hot-rolled deep drawing (HDD) steel with high r-value and uniformdistribution of {111} texture in thickness was developed by hot rolling in ferrite region withlubricating between the roller and the steel. The experimental results show that the carbon contentand finish rolling temperature have significant effects on beneficial texture {111}, and lubricatingduring hot rolling at low temperature in alpha-region makes the distribution of the textureuniform. Three basic requirements needed to meet for HDD steel were concluded by comparing differentcarbon contents and hot rolling processes.展开更多
文摘An automatic procedure for building a protein polyalanine backbone from guiding alpha-carbon positions is presented here,which is different from a previously developed'spare parts'approach(Jones and Thirup,1986;Claessens et al.,1989). In our procedure,the geometric restraint of angle N-CA-C is used to generate a list of polypeptide chains,and several filters are used later to select the best conformer.The most important filter is based upon the Ramachandran scatter plot of mainchain dihedral angles PHI and PSI.Results for all test cases are satisfactory,with more than 95%of peptide planes correctly reconstructed and the overall root-mean-square deviation less than 0.5 angstrom compared with the refined X-ray coordinates.
文摘A new iron based catalyst 2,6\|bis[(1\|fluorenylimino)ethyl] pyridine iron dicloride (2) was synthesized via Shiff base condensation with 2,6\|diacetylpyridine and 9\|aminofluorene hydrochloride under formic acid as catalyst.Ethylene oligomerizations were carried out using this new catalyst and methylaluminoxane as cocatalyst under various conditions.The effects of Al/Fe molar ratio,reaction temperature and ethylene pressure on catalytic activity and product distribution were investigated.This novel catalyst had a good activity for ethylene oligomerization (e.g. 4 21×10 6g oligomers\5mol -1 Fe·h -1 ,Al/Fe molar ratio=2000,reaction temperature=40℃,ethylene pressure=1 5?MPa).The catalytic activity increased with the increasing concentration of MAO.The tendency to produce more C 4～C 10 olefins was attributed to the more chain transfer reactions to MAO.The higher the reaction temperature,the lower catalytic activity was present.The reasonable explanation was the combination of the accelerated catalyst’s deactivation and the decrease in ethylene concentration in solvent due to the elevated temperature.Under such condition,however,the oligomerization of ethylene produced more short chain olefins which are adapted to act as comonomers for preparation of linear low density polyethylene materials.Ethylene pressure in autoclave also had an important influence on catalytic activity and carbon\|number distribution of product.The catalytic activity increased sharply with the elevated ethylene pressure.However,the proportion of C 4～C 10 olefins in product decreased in higher pressure due to the enhanced chain propagation reaction.The research work indicated that the control of catalytic activity and product distribution can be realized by the variation of oligomerization conditions such as Al/Fe molar ratio,reaction temperature and ethylene pressure.The results also showed that the ethylene oligomerization employing this novel iron\|based catalyst mainly produces the C 4～C 10 olefins with high selectivity for linear C 4～C 10 α \|olefin (>98%).
文摘A hot-rolled deep drawing (HDD) steel with high r-value and uniformdistribution of {111} texture in thickness was developed by hot rolling in ferrite region withlubricating between the roller and the steel. The experimental results show that the carbon contentand finish rolling temperature have significant effects on beneficial texture {111}, and lubricatingduring hot rolling at low temperature in alpha-region makes the distribution of the textureuniform. Three basic requirements needed to meet for HDD steel were concluded by comparing differentcarbon contents and hot rolling processes.
