We report a theoretical scheme using a B-spline basis set to improve the poor computational accuracy of circular Rydberg states of hydrogen atoms in the intermediate magnetic field. This scheme can produce high accura...We report a theoretical scheme using a B-spline basis set to improve the poor computational accuracy of circular Rydberg states of hydrogen atoms in the intermediate magnetic field. This scheme can produce high accuracy energy levels and valid for an arbitrary magnetic field. Energy levels of hydrogen are presented for circular Rydberg states with azimuthal quantum numbers |m| =10-70 as a function of magnetic field strengths ranging from zero to 2.35 × 10^9 T. The variation of spatial distributions of electron probability densities with magnetic field strengths is discussed and competition between Coulomb and magnetic interactions is illustrated.展开更多
The herpes simplex virus type 1 (HSV-1) VP22, is one of the most abundant HSV-I tegument proteins with an average stoichiometry of 2 400 copies per virion and conserved among alphaherpesvirinae. Many functions are a...The herpes simplex virus type 1 (HSV-1) VP22, is one of the most abundant HSV-I tegument proteins with an average stoichiometry of 2 400 copies per virion and conserved among alphaherpesvirinae. Many functions are attributed to VP22, including nuclear localization, chromatin binding, microtubule binding, induction ofmicrotubule reorganization, intercellular transport, interaction with cellular proteins, such as template activating VP16, pU factor I (TAF-I) and nonmuscle myosin II A (NMIIA), and viral proteins including pUS9 and pUL46, glycoprotein E (gE) and gD. Recently, many novel functions perform tegument protein ed by the HSV-1 VP22 protein have been shown, including promotion of protein synthesis at late times in infection, accumulation of a subset of viral mRNAs at early times in infection and possible transcriptional regulation function .展开更多
Credit-assignment schemas are widely applied by providing fixed or flexible credit distribution formulas to evaluate the contributions of coauthors of a scientific publication. In this paper, we propose an approach na...Credit-assignment schemas are widely applied by providing fixed or flexible credit distribution formulas to evaluate the contributions of coauthors of a scientific publication. In this paper, we propose an approach named First and Others (F&O) counting. By introducing a tuning parameter a and a weight β, two new properties are obtained: (1) flexible assignment of credits by modifying the formula (with the change of a) and applying preference to the individual author by adjusting the weights (with the change ofβ), and (2) calculation of the credits by separating the formula for the first author from others. With formula separation, the credit of the second author shows an inflection point according to the change ofa. The developed theorems and proofs concerning the modification of a and fl reveal new properties and complement the base theory for informetrics. The F&O schema is also adapted when considering the policy of'first-corresponding-author-emphasis'. Through a comparative analysis using a set of empirical data from the fields of chemistry, medicine, psychology, and the Harvard survey data, the performance of the F&O approach is compared with those of other methods to demonstrate its benefits by the criteria of lack of fit and coefficient of determination.展开更多
To observe the effect of Fufang Jisheng Liujin Gao (复方寄生流浸膏 Compound Mistletoe Fluidextract) on blood pressure in the spontaneous hypertensive rats (SHR) and the renal hypertensive dogs (RHD). Methods: T...To observe the effect of Fufang Jisheng Liujin Gao (复方寄生流浸膏 Compound Mistletoe Fluidextract) on blood pressure in the spontaneous hypertensive rats (SHR) and the renal hypertensive dogs (RHD). Methods: The blood pressure-decreasing effects of single administration and 14-day consecutive administration of Compound Mistletoe Fluidextract (CMF) in SHR and RHD were investigated and compared with that of Niuhuang Jiangya Wan (牛黄降压丸 Bezoar Hypertension-relieving Pills). Results: Both single administration and 14-day consecutive administration of CMF had significant hypotensive effects in SHR and RHD. Conclusion: The hypotensive action of CMF is gradual, but lasts for a longer period, with a dose-effect relationship in a range of doses.展开更多
Nonlinear quantum metrology may exhibit better precision scalings. For example, the uncertainty of an estimated phase may scale as △φ∝ 1/N2 under quadratic phase accumulation, which is 1/N times smal-ler than the l...Nonlinear quantum metrology may exhibit better precision scalings. For example, the uncertainty of an estimated phase may scale as △φ∝ 1/N2 under quadratic phase accumulation, which is 1/N times smal-ler than the linear counterpart, where N is probe number. Here, we experimentally demonstrate the non-linear quantum metrology by using a spin-I(I 〉 1/2) nuclear magnetic resonance (NMR) ensemble that can be mapped into a system ofN = 2I spin-1/2 particles and the quadratic interaction can be utilized for the quadratic phase accumulation. Our experimental results show that the phase uncertainty can scale as △φ∝1/(N2-1) by optimizing the input states, when N is an odd number. In addition, the interferomet-tic measurement with quadratic interaction provides a new way for estimating the quadrupolar coupling strength in an NMR system. Our system may be further extended to exotic nonlinear quantum metrology with higher order many-body interactions.展开更多
Quantum chemical calculations of the structures and cation-anion interaction of 1-ethyl-3-methylimidazolium lactate ([Emim][LAC]) ion pair at the B3LYP/6-31++G** theoretical level were performed. The relevant geometri...Quantum chemical calculations of the structures and cation-anion interaction of 1-ethyl-3-methylimidazolium lactate ([Emim][LAC]) ion pair at the B3LYP/6-31++G** theoretical level were performed. The relevant geometrical characteristics, energy properties, intermolecular H-bonds (H-bonds), and calculated IR vibrations with respect to isolated ions were systematically discussed. The natural bond orbital (NBO) and atoms in molecule (AIM) analyses were also employed to understand the nature of the interactions between cation and anion. The five most stable geometries were verified by analyzing the relative energies and interaction energies. It was found that the most of the C-H···O intermolecular H-bonds interactions in five stable conformers have some covalent character in nature. The elongation and red shift in IR spectrum of C-H bonds which involve in H-bonds is proved by electron transfers from the lone pairs of the carbonyl O atom of [LAC] to the C-H antibonding orbital of the [Emim]+. The interaction modes are more favorable when the carbonyl O atoms of [LAC] interact with the C2-H of the imidazolium ring and the C-H of the ethyl group through the formation of triple H-bonds.展开更多
The single particle energies obtained in a Kohn-Sham density functional theory(DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in transport,tunneling an...The single particle energies obtained in a Kohn-Sham density functional theory(DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in transport,tunneling and spectroscopic experiments such as photo-emission spectroscopy. The correction to these energies can be obtained from the poles of a single particle Green's function derived from a many-body perturbation theory. From a computational perspective, the accuracy and efficiency of such an approach depends on how a self energy term that properly accounts for dynamic screening of electrons is approximated. The G_0W_0 approximation is a widely used technique in which the self energy is expressed as the convolution of a noninteracting Green's function(G_0) and a screened Coulomb interaction(W_0) in the frequency domain. The computational cost associated with such a convolution is high due to the high complexity of evaluating W_0 at multiple frequencies. In this paper, we discuss how the cost of G_0W_0 calculation can be reduced by constructing a low rank approximation to the frequency dependent part of W_0. In particular, we examine the effect of such a low rank approximation on the accuracy of the G_0W_0 approximation. We also discuss how the numerical convolution of G_0 and W_0 can be evaluated efficiently and accurately by using a contour deformation technique with an appropriate choice of the contour.展开更多
基金Support from National Science Foundation of USA under Grant No. 0630370National Natural Science Foundation of China under Grant Nos. 90403028 and 11074260
文摘We report a theoretical scheme using a B-spline basis set to improve the poor computational accuracy of circular Rydberg states of hydrogen atoms in the intermediate magnetic field. This scheme can produce high accuracy energy levels and valid for an arbitrary magnetic field. Energy levels of hydrogen are presented for circular Rydberg states with azimuthal quantum numbers |m| =10-70 as a function of magnetic field strengths ranging from zero to 2.35 × 10^9 T. The variation of spatial distributions of electron probability densities with magnetic field strengths is discussed and competition between Coulomb and magnetic interactions is illustrated.
基金The Startup Fund of the Hundred Talents Program of the Chinese Academy of Science (20071010- 141)National Natural Science Foundation of China (30870120)Open Research Fund Program of the State Key Laboratory of Virology of China (2007003, 2009007)
文摘The herpes simplex virus type 1 (HSV-1) VP22, is one of the most abundant HSV-I tegument proteins with an average stoichiometry of 2 400 copies per virion and conserved among alphaherpesvirinae. Many functions are attributed to VP22, including nuclear localization, chromatin binding, microtubule binding, induction ofmicrotubule reorganization, intercellular transport, interaction with cellular proteins, such as template activating VP16, pU factor I (TAF-I) and nonmuscle myosin II A (NMIIA), and viral proteins including pUS9 and pUL46, glycoprotein E (gE) and gD. Recently, many novel functions perform tegument protein ed by the HSV-1 VP22 protein have been shown, including promotion of protein synthesis at late times in infection, accumulation of a subset of viral mRNAs at early times in infection and possible transcriptional regulation function .
基金Project supported by the Brazilian National Council for Scientific and Technological Development(No.304903/2013-2)
文摘Credit-assignment schemas are widely applied by providing fixed or flexible credit distribution formulas to evaluate the contributions of coauthors of a scientific publication. In this paper, we propose an approach named First and Others (F&O) counting. By introducing a tuning parameter a and a weight β, two new properties are obtained: (1) flexible assignment of credits by modifying the formula (with the change of a) and applying preference to the individual author by adjusting the weights (with the change ofβ), and (2) calculation of the credits by separating the formula for the first author from others. With formula separation, the credit of the second author shows an inflection point according to the change ofa. The developed theorems and proofs concerning the modification of a and fl reveal new properties and complement the base theory for informetrics. The F&O schema is also adapted when considering the policy of'first-corresponding-author-emphasis'. Through a comparative analysis using a set of empirical data from the fields of chemistry, medicine, psychology, and the Harvard survey data, the performance of the F&O approach is compared with those of other methods to demonstrate its benefits by the criteria of lack of fit and coefficient of determination.
文摘To observe the effect of Fufang Jisheng Liujin Gao (复方寄生流浸膏 Compound Mistletoe Fluidextract) on blood pressure in the spontaneous hypertensive rats (SHR) and the renal hypertensive dogs (RHD). Methods: The blood pressure-decreasing effects of single administration and 14-day consecutive administration of Compound Mistletoe Fluidextract (CMF) in SHR and RHD were investigated and compared with that of Niuhuang Jiangya Wan (牛黄降压丸 Bezoar Hypertension-relieving Pills). Results: Both single administration and 14-day consecutive administration of CMF had significant hypotensive effects in SHR and RHD. Conclusion: The hypotensive action of CMF is gradual, but lasts for a longer period, with a dose-effect relationship in a range of doses.
基金supported by the National Key Basic Research Program of China(2013CB921800 and 2014CB848700)the National Science Fund for Distinguished Young Scholars of China(11425523)+3 种基金the National Natural Science Foundation of China(11374375,11574405,11375167,11605153 and 11704420)the Strategic Priority Research Program(B)of the CAS(XDB01030400)the Key Research Program of Frontier Sciences of the CAS(QYZDY-SSW-SLH004)partially supported by the National Postdoctoral Program for Innovative Talents of China(BX201600198)
文摘Nonlinear quantum metrology may exhibit better precision scalings. For example, the uncertainty of an estimated phase may scale as △φ∝ 1/N2 under quadratic phase accumulation, which is 1/N times smal-ler than the linear counterpart, where N is probe number. Here, we experimentally demonstrate the non-linear quantum metrology by using a spin-I(I 〉 1/2) nuclear magnetic resonance (NMR) ensemble that can be mapped into a system ofN = 2I spin-1/2 particles and the quadratic interaction can be utilized for the quadratic phase accumulation. Our experimental results show that the phase uncertainty can scale as △φ∝1/(N2-1) by optimizing the input states, when N is an odd number. In addition, the interferomet-tic measurement with quadratic interaction provides a new way for estimating the quadrupolar coupling strength in an NMR system. Our system may be further extended to exotic nonlinear quantum metrology with higher order many-body interactions.
基金supported by the National Basic Research Program of China (2009CB219901)the National Natural Scientific Fund of China(21073194, 21106146)
文摘Quantum chemical calculations of the structures and cation-anion interaction of 1-ethyl-3-methylimidazolium lactate ([Emim][LAC]) ion pair at the B3LYP/6-31++G** theoretical level were performed. The relevant geometrical characteristics, energy properties, intermolecular H-bonds (H-bonds), and calculated IR vibrations with respect to isolated ions were systematically discussed. The natural bond orbital (NBO) and atoms in molecule (AIM) analyses were also employed to understand the nature of the interactions between cation and anion. The five most stable geometries were verified by analyzing the relative energies and interaction energies. It was found that the most of the C-H···O intermolecular H-bonds interactions in five stable conformers have some covalent character in nature. The elongation and red shift in IR spectrum of C-H bonds which involve in H-bonds is proved by electron transfers from the lone pairs of the carbonyl O atom of [LAC] to the C-H antibonding orbital of the [Emim]+. The interaction modes are more favorable when the carbonyl O atoms of [LAC] interact with the C2-H of the imidazolium ring and the C-H of the ethyl group through the formation of triple H-bonds.
基金supported by the SciD AC Program on Excited State Phenomena in Energy Materials funded by the US Department of Energy,Office of Basic Energy Sciences and of Advanced Scientific Computing Research at Lawrence Berkeley National Laboratory(Grant No.DE-AC02-05CH11231)the Center for Applied Mathematics for Energy Research Applications funded by US Department of Energy,Office of Science,Advanced Scientific Computing Research and Basic Energy Sciences,the Alfred P.Sloan FellowshipNational Natural Science Foundation of China(Grant No.11171232)
文摘The single particle energies obtained in a Kohn-Sham density functional theory(DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in transport,tunneling and spectroscopic experiments such as photo-emission spectroscopy. The correction to these energies can be obtained from the poles of a single particle Green's function derived from a many-body perturbation theory. From a computational perspective, the accuracy and efficiency of such an approach depends on how a self energy term that properly accounts for dynamic screening of electrons is approximated. The G_0W_0 approximation is a widely used technique in which the self energy is expressed as the convolution of a noninteracting Green's function(G_0) and a screened Coulomb interaction(W_0) in the frequency domain. The computational cost associated with such a convolution is high due to the high complexity of evaluating W_0 at multiple frequencies. In this paper, we discuss how the cost of G_0W_0 calculation can be reduced by constructing a low rank approximation to the frequency dependent part of W_0. In particular, we examine the effect of such a low rank approximation on the accuracy of the G_0W_0 approximation. We also discuss how the numerical convolution of G_0 and W_0 can be evaluated efficiently and accurately by using a contour deformation technique with an appropriate choice of the contour.