The electronic structure of protein chains L and M in photosynthetic reaction center (PRC) of Rhodobacter sphaeroides (Van Niel) Imhoff, Truper et Pfennig) was studied by using the Overlapping Dimer Approximation meth...The electronic structure of protein chains L and M in photosynthetic reaction center (PRC) of Rhodobacter sphaeroides (Van Niel) Imhoff, Truper et Pfennig) was studied by using the Overlapping Dimer Approximation method and the Extended Negative Factor Counter method at ab initio level. The result indicated that: (1) Amino acid residues, the molecular orbitals of which composed the main components of frontier orbitals of protein chain L (M), are located at the random coil areas of chain L (alpha helix areas of chain M). Since the random coil is flexible and more easy to change its conformation in the electron transfer process and to reduce the energy of the system, and the structure of the alpha helix is reletively stable, this difference might be one of the causes for the electron transfer in photosynthetic reaction center (PRC) only takes place along the L branch. (2) The His residues which axially coordinated to the 'special pair' P and accessory chlorophyll molecules (ABChls) are essentially important for the E-LUMO levels of P and ABChl. But, the corresponding molecular orbitals of these His residues do not appear in the composition of frontier orbitals of protein chains. It means that the interaction between pigment molecules and protein chains do not influence the contribution to the frontier orbitals of protein chains explicitly, but influences the corresponding E-LUMO levels significantly.展开更多
A new C-type subhierarchy for KP hierarchy with two new time series γn and σk （ （Tn,crk ）-CKPH）, which consists of γn-flow, σk-flow and mixed γn and σk evolution equations of eigenfunctions, is proposed. The...A new C-type subhierarchy for KP hierarchy with two new time series γn and σk （ （Tn,crk ）-CKPH）, which consists of γn-flow, σk-flow and mixed γn and σk evolution equations of eigenfunctions, is proposed. The zero-curvature representation for the （γn, σk ）-CKPH is derived. The reduction and constrained flows of （γn, σk ）-CKPH are studied.展开更多
The transition of strong-interaction matter from the hadronic phase to the quark-gluon plasma phase is a rapid crossover but not a true phase transition in nature.The true phase transition of strong-interaction matter...The transition of strong-interaction matter from the hadronic phase to the quark-gluon plasma phase is a rapid crossover but not a true phase transition in nature.The true phase transition of strong-interaction matter is expected to exist only in certain limits,e.g.chiral limit of massless quarks and etc.In this contribution to CNPC2023 Special Issue we present our recent studies on the true phase transition of strong-interaction matter in the chiral limit of massless quarks as well as its microscopic origin.The study is based on(2+1)-flavor lattice QCD simulations using highly improved staggered fermions,with pion masses ranging from 160 MeV down to 55 MeV.Utilizing a newly proposed method to compute the quark mass derivatives of the Dirac eigenvalue spectrum on the lattice,it is found that the axial U(1)anomaly is still manifested at 1.6T_(c),with a microscopic origin consistent with the dilute instanton gas approximation.Furthermore,based on lattice QCD results and a generalized Banks-Casher relation,it is found that the macroscopic singularity of the chiral phase transition is encoded in the correlation of the Dirac eigenvalue spectrum.Future research directions along these findings are also discussed,including the investigation of the temperature range between T_(c) and 1.6 T_(c) to understand the breakdown of the dilute instanton gas approximation and its connection to the chiral phase transition.展开更多
文摘The electronic structure of protein chains L and M in photosynthetic reaction center (PRC) of Rhodobacter sphaeroides (Van Niel) Imhoff, Truper et Pfennig) was studied by using the Overlapping Dimer Approximation method and the Extended Negative Factor Counter method at ab initio level. The result indicated that: (1) Amino acid residues, the molecular orbitals of which composed the main components of frontier orbitals of protein chain L (M), are located at the random coil areas of chain L (alpha helix areas of chain M). Since the random coil is flexible and more easy to change its conformation in the electron transfer process and to reduce the energy of the system, and the structure of the alpha helix is reletively stable, this difference might be one of the causes for the electron transfer in photosynthetic reaction center (PRC) only takes place along the L branch. (2) The His residues which axially coordinated to the 'special pair' P and accessory chlorophyll molecules (ABChls) are essentially important for the E-LUMO levels of P and ABChl. But, the corresponding molecular orbitals of these His residues do not appear in the composition of frontier orbitals of protein chains. It means that the interaction between pigment molecules and protein chains do not influence the contribution to the frontier orbitals of protein chains explicitly, but influences the corresponding E-LUMO levels significantly.
基金Supported by National Basic Research Program of China(973 Program) under Grant No.2007CB814800National Natural Science Foundation of China under Grant Nos.10901090,10801083,11171175+1 种基金Chinese Universities Scientific Fund under Grant No.2011JS041China Postdoctoral Science Foundation Funded Project under Grant No.20110490408
文摘A new C-type subhierarchy for KP hierarchy with two new time series γn and σk （ （Tn,crk ）-CKPH）, which consists of γn-flow, σk-flow and mixed γn and σk evolution equations of eigenfunctions, is proposed. The zero-curvature representation for the （γn, σk ）-CKPH is derived. The reduction and constrained flows of （γn, σk ）-CKPH are studied.
文摘The transition of strong-interaction matter from the hadronic phase to the quark-gluon plasma phase is a rapid crossover but not a true phase transition in nature.The true phase transition of strong-interaction matter is expected to exist only in certain limits,e.g.chiral limit of massless quarks and etc.In this contribution to CNPC2023 Special Issue we present our recent studies on the true phase transition of strong-interaction matter in the chiral limit of massless quarks as well as its microscopic origin.The study is based on(2+1)-flavor lattice QCD simulations using highly improved staggered fermions,with pion masses ranging from 160 MeV down to 55 MeV.Utilizing a newly proposed method to compute the quark mass derivatives of the Dirac eigenvalue spectrum on the lattice,it is found that the axial U(1)anomaly is still manifested at 1.6T_(c),with a microscopic origin consistent with the dilute instanton gas approximation.Furthermore,based on lattice QCD results and a generalized Banks-Casher relation,it is found that the macroscopic singularity of the chiral phase transition is encoded in the correlation of the Dirac eigenvalue spectrum.Future research directions along these findings are also discussed,including the investigation of the temperature range between T_(c) and 1.6 T_(c) to understand the breakdown of the dilute instanton gas approximation and its connection to the chiral phase transition.
