The enhancement effect of the phase-conjugate wave produced by a third order nonlinear optical medium in a （AB）^N （D）^2 （BA）^N Bragg microcavity made of one-dimensional photonic crystals is studied. The gain fac...The enhancement effect of the phase-conjugate wave produced by a third order nonlinear optical medium in a （AB）^N （D）^2 （BA）^N Bragg microcavity made of one-dimensional photonic crystals is studied. The gain factor of the phase-conjugate wave is derived when the resonance condition is satisfied by the incident optical wave and the Bragg microcavity mode. Because of stronger resonance enhancement to incident pump beam given by the Bragg microcavity, the enhancement effect of the phase-conjugate wave produced by a third order nonlinear optical medium inside Bragg microcavity is more outstanding than that caused by the naked third order nonlinear optical medium. The theoretical analysis and the numerical calculation show the Bragg microcavity with larger number N of periods is identical with a Fabry-Perot cavity when the resonance condition is satisfied by the incident optical wave and the Bragg microcavity mode.展开更多
The development of new chiral stationary phases has been very important in the a ccurate analysis of drug enantiomers and their metabolites in biological samples during drug discovery and development. New chiral stati...The development of new chiral stationary phases has been very important in the a ccurate analysis of drug enantiomers and their metabolites in biological samples during drug discovery and development. New chiral stationary phases have been d eveloped using conalbumin and flavoprotein from chicken egg whites, which have b een applied to a broad range of drug enantiomers. The application and characteri zation of these two chiral columns for high-performance liquid chromatograp hy have been documented. Both specific and non-specific interactions, based on the silica gel surface and linker moiety, influenced retention and chiral separa tion of solutes. Interactions between drug enantiomers and proteins, as a pseudo chiral stationary phase, were investigated with affinity capillary electrophore sis, in order to avoid the effects of non-specific interactions. The chiral dis crimination region for ketoprofen on the flavoprotein surface was concluded to c onsist of an α-helix structure. Studies with chemically modified flavoprot ein indicated that two types of interactions at the chiral discrimination region were required for chiral separation: a π-π interaction between a tryptophan residue and the aromatic ring of ketoprofen, and an ionic interaction between th e carboxyl group of ketoprofen and an amino and carboxyl group of the protein. I n the bod y, drugs and biologically active substances having a carboxyl group have been kn own to transform various metabolites such as acyl glucuronide. The acyl adenylat e has also been noted as a chemically active intermediate of coenzyme A ligation . Both the acyl adenylate and the acyl glucuronide produced protein adducts by r eacting with nucleophilic groups such as amino groups on protein molecules. To c haracterize both active intermediates and protein adducts, analytical techniques conferring highly selective molecular recognition, such as high-performance li quid chromatography and mass spectrometry, were required.展开更多
The oxidation behavior of three biodiesels of different origins,viz.rapeseed oil derived biodiesel,soybean oil derived biodiesel and waste oil based biodiesel,were tested on an oxidation tester.The chemical compositio...The oxidation behavior of three biodiesels of different origins,viz.rapeseed oil derived biodiesel,soybean oil derived biodiesel and waste oil based biodiesel,were tested on an oxidation tester.The chemical compositions of the biodiesels were characterized by gas chromatography.Thereafter,the structural transformation of fatty acid methyl ester(FAME)of the biodiesels was analyzed by an infrared spectrometer and an ultraviolet absorption spectrometer.The results demonstrated that the oxidation behavior of biodiesels of different origins was closely related to the composition and distribution of FAMEs.Higher concentration of unsaturated FAME with multi-double bonds exhibited poorer oxidation resistance.Furthermore,cis-trans isomerization transformation occurred in the unsaturated FAME molecules and conjugated double-bond produced during the oxidation process of biodiesel.Greater cis-trans variations corresponded to deeper oxidation degree.The higher the content of unsaturated FAME with multi-double bonds in a biodiesel,the more the conjugated double bonds was formed.展开更多
We study preconditioning techniques used in conjunction with the conjugate gradient method for solving multi-length-scale symmetric positive definite linear systems originating from the quantum Monte Carlo simulation ...We study preconditioning techniques used in conjunction with the conjugate gradient method for solving multi-length-scale symmetric positive definite linear systems originating from the quantum Monte Carlo simulation of electron interaction of correlated materials. Existing preconditioning techniques are not designed to be adaptive to varying numerical properties of the multi-length-scale systems. In this paper, we propose a hybrid incomplete Cholesky （HIC） preconditioner and demonstrate its adaptivity to the multi-length-scale systems. In addition, we propose an extension of the compressed sparse column with row access （CSCR） sparse matrix storage format to efficiently accommodate the data access pattem to compute the HIC preconditioner. We show that for moderately correlated materials, the HIC preconditioner achieves the optimal linear scaling of the simulation. The development of a linear-scaling preconditioner for strongly correlated materials remains an open topic.展开更多
The extensional model of the South China Sea(SCS)has been widely studied,but remains under debate.Based on the latest high-quality multi-channel seismic data,bathymetric data,and other obtained seismic profiles,the as...The extensional model of the South China Sea(SCS)has been widely studied,but remains under debate.Based on the latest high-quality multi-channel seismic data,bathymetric data,and other obtained seismic profiles,the asymmetric characteristics between the conjugate margins of the SCS are revealed and extensional model of the SCS margin is discussed further.Spatial variation of morphology,basement structure,and marginal faults are discovered among the SCS margin profiles.As for the NS-trending variation,the basement of northern margin displays in the shape of step downwards to the sea,while the basement of southern margin is composed of wide rotated and tilted blocks,without any obvious bathymetric change.The variation also exists in the development of marginal faults between the conjugate margins,and detachment fault system is identified on the southern margin.Along the southern margin from east to west,the Eastern and Southwestern Basins developed different structural units.Based on the tectonic contrast of the conjugate margins,differential extensional model is proposed to explain the spatial variation of the SCS structure,which introduces detachment faults controlling the evolution of the SCS.The upper crust above the detachment fault was deformed by simple shear,while the lower crust and upper mantle below the detachment fault was deformed by pure shear.Because of the different lateral transfer between the upper brittle faulting and the lower ductile extensional regions,there developed marginal plateau(Liyue basin)and outer rise(Zhenghe massif)on the lower plate margin of the Eastern Basin and the Southwestern Basin,respectively.The evolution of the present SCS may be influenced by the diachronous close of the paleo-SCS.展开更多
Two-dimensional,ultrathin,robust,and fullyπ-conjugated organic nanomaterials are highly desirable for application in various fields due to their unique photoelectric characteristics and great number of exposed active...Two-dimensional,ultrathin,robust,and fullyπ-conjugated organic nanomaterials are highly desirable for application in various fields due to their unique photoelectric characteristics and great number of exposed active sites.However,such matters combining excellent stability,fullπ-conjugation and adjustability are rare,which has become a bottleneck for their practical application.Herein,we present a novel kind of diyne-linked polymetalloporphyrin nanosheet featuring permanent porosity and fullπ-conjugation,which exhibits a high-aspect-ratio,outstanding stability and convenient tailoring for electronic structures.Importantly,the novel nanosheets with monodisperse nickel atoms were found to be outstanding heterogeneous catalyst with unprecedented catalytic activity and selectivity for 4-nitrophenol reduction to 4-aminophenol under mild conditions.The findings recommend that diynelinked polymetalloporphyrin nanosheets may offer new platforms for the conversion of photoelectricity and energy in the future.展开更多
文摘The enhancement effect of the phase-conjugate wave produced by a third order nonlinear optical medium in a （AB）^N （D）^2 （BA）^N Bragg microcavity made of one-dimensional photonic crystals is studied. The gain factor of the phase-conjugate wave is derived when the resonance condition is satisfied by the incident optical wave and the Bragg microcavity mode. Because of stronger resonance enhancement to incident pump beam given by the Bragg microcavity, the enhancement effect of the phase-conjugate wave produced by a third order nonlinear optical medium inside Bragg microcavity is more outstanding than that caused by the naked third order nonlinear optical medium. The theoretical analysis and the numerical calculation show the Bragg microcavity with larger number N of periods is identical with a Fabry-Perot cavity when the resonance condition is satisfied by the incident optical wave and the Bragg microcavity mode.
文摘The development of new chiral stationary phases has been very important in the a ccurate analysis of drug enantiomers and their metabolites in biological samples during drug discovery and development. New chiral stationary phases have been d eveloped using conalbumin and flavoprotein from chicken egg whites, which have b een applied to a broad range of drug enantiomers. The application and characteri zation of these two chiral columns for high-performance liquid chromatograp hy have been documented. Both specific and non-specific interactions, based on the silica gel surface and linker moiety, influenced retention and chiral separa tion of solutes. Interactions between drug enantiomers and proteins, as a pseudo chiral stationary phase, were investigated with affinity capillary electrophore sis, in order to avoid the effects of non-specific interactions. The chiral dis crimination region for ketoprofen on the flavoprotein surface was concluded to c onsist of an α-helix structure. Studies with chemically modified flavoprot ein indicated that two types of interactions at the chiral discrimination region were required for chiral separation: a π-π interaction between a tryptophan residue and the aromatic ring of ketoprofen, and an ionic interaction between th e carboxyl group of ketoprofen and an amino and carboxyl group of the protein. I n the bod y, drugs and biologically active substances having a carboxyl group have been kn own to transform various metabolites such as acyl glucuronide. The acyl adenylat e has also been noted as a chemically active intermediate of coenzyme A ligation . Both the acyl adenylate and the acyl glucuronide produced protein adducts by r eacting with nucleophilic groups such as amino groups on protein molecules. To c haracterize both active intermediates and protein adducts, analytical techniques conferring highly selective molecular recognition, such as high-performance li quid chromatography and mass spectrometry, were required.
基金the financial support from the National Natual Science Foundation of China(No.51375491)the Natural Science Foundation of Chongqing(Project No.2011JJA90020)the Science Foundation for Young Teachers of Logistical Engineering University
文摘The oxidation behavior of three biodiesels of different origins,viz.rapeseed oil derived biodiesel,soybean oil derived biodiesel and waste oil based biodiesel,were tested on an oxidation tester.The chemical compositions of the biodiesels were characterized by gas chromatography.Thereafter,the structural transformation of fatty acid methyl ester(FAME)of the biodiesels was analyzed by an infrared spectrometer and an ultraviolet absorption spectrometer.The results demonstrated that the oxidation behavior of biodiesels of different origins was closely related to the composition and distribution of FAMEs.Higher concentration of unsaturated FAME with multi-double bonds exhibited poorer oxidation resistance.Furthermore,cis-trans isomerization transformation occurred in the unsaturated FAME molecules and conjugated double-bond produced during the oxidation process of biodiesel.Greater cis-trans variations corresponded to deeper oxidation degree.The higher the content of unsaturated FAME with multi-double bonds in a biodiesel,the more the conjugated double bonds was formed.
基金supported in part by the US National Science Foundation grant 0611548in part by the US Department of Energy grant DE-FC02-06ER25793
文摘We study preconditioning techniques used in conjunction with the conjugate gradient method for solving multi-length-scale symmetric positive definite linear systems originating from the quantum Monte Carlo simulation of electron interaction of correlated materials. Existing preconditioning techniques are not designed to be adaptive to varying numerical properties of the multi-length-scale systems. In this paper, we propose a hybrid incomplete Cholesky （HIC） preconditioner and demonstrate its adaptivity to the multi-length-scale systems. In addition, we propose an extension of the compressed sparse column with row access （CSCR） sparse matrix storage format to efficiently accommodate the data access pattem to compute the HIC preconditioner. We show that for moderately correlated materials, the HIC preconditioner achieves the optimal linear scaling of the simulation. The development of a linear-scaling preconditioner for strongly correlated materials remains an open topic.
基金supported by the National Natural Science Foundation of China(Grant No.41006031)Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDA11030102)the National High Technology Research and Development Program of China(Grant No.2009AA093401)
文摘The extensional model of the South China Sea(SCS)has been widely studied,but remains under debate.Based on the latest high-quality multi-channel seismic data,bathymetric data,and other obtained seismic profiles,the asymmetric characteristics between the conjugate margins of the SCS are revealed and extensional model of the SCS margin is discussed further.Spatial variation of morphology,basement structure,and marginal faults are discovered among the SCS margin profiles.As for the NS-trending variation,the basement of northern margin displays in the shape of step downwards to the sea,while the basement of southern margin is composed of wide rotated and tilted blocks,without any obvious bathymetric change.The variation also exists in the development of marginal faults between the conjugate margins,and detachment fault system is identified on the southern margin.Along the southern margin from east to west,the Eastern and Southwestern Basins developed different structural units.Based on the tectonic contrast of the conjugate margins,differential extensional model is proposed to explain the spatial variation of the SCS structure,which introduces detachment faults controlling the evolution of the SCS.The upper crust above the detachment fault was deformed by simple shear,while the lower crust and upper mantle below the detachment fault was deformed by pure shear.Because of the different lateral transfer between the upper brittle faulting and the lower ductile extensional regions,there developed marginal plateau(Liyue basin)and outer rise(Zhenghe massif)on the lower plate margin of the Eastern Basin and the Southwestern Basin,respectively.The evolution of the present SCS may be influenced by the diachronous close of the paleo-SCS.
基金the National Natural Science Foundation of China(21774040,61435005,and 21805110)。
文摘Two-dimensional,ultrathin,robust,and fullyπ-conjugated organic nanomaterials are highly desirable for application in various fields due to their unique photoelectric characteristics and great number of exposed active sites.However,such matters combining excellent stability,fullπ-conjugation and adjustability are rare,which has become a bottleneck for their practical application.Herein,we present a novel kind of diyne-linked polymetalloporphyrin nanosheet featuring permanent porosity and fullπ-conjugation,which exhibits a high-aspect-ratio,outstanding stability and convenient tailoring for electronic structures.Importantly,the novel nanosheets with monodisperse nickel atoms were found to be outstanding heterogeneous catalyst with unprecedented catalytic activity and selectivity for 4-nitrophenol reduction to 4-aminophenol under mild conditions.The findings recommend that diynelinked polymetalloporphyrin nanosheets may offer new platforms for the conversion of photoelectricity and energy in the future.
