In order to fully realize semantic interoperability among distributed and heterogeneous applications on the web, a set of effective interoperability mechanisms is presented. This mechanism adopts service interactive i...In order to fully realize semantic interoperability among distributed and heterogeneous applications on the web, a set of effective interoperability mechanisms is presented. This mechanism adopts service interactive interfaces （SII） and service aggregative interfaces （SAI） modeled with abstract state machine （ASM） to abstractly describe the behavior of the invoked web service instances, which makes business processing accurately specify tasks and effectively solves the problems of communication and collaboration between service providers and service requesters. The mechanism also uses appropriate mediators to solve the problems of information and coinmunication incompatibility during the course of service interaction, which is convenient for service interoperability, sharing and integration. The mechanism＇ s working principle and interoperability implementation are illustrated by a use case in detail.展开更多
The manuscript deals with the possibility of application of collective behavior of quantum particles to realize the quantum calculation procedure. The above collective behavior is likely resulted from interelectron co...The manuscript deals with the possibility of application of collective behavior of quantum particles to realize the quantum calculation procedure. The above collective behavior is likely resulted from interelectron correlations, characteristic for strongly correlated systems containing atoms with unoccupied 3d-, 4f- and 5f- shells. Among such systems can be the heterospin systems, complexes of paramagnetic ions of transition metals with organic radicals, because for such objects, spin-spin interaction between unpaired electron spins of different paramagnetic centers is typical. To apply the aforementioned possibility for the organization of real quantum calculations, it is necessary to synthesize such paramagnetic molecules （paramagnetic clusters）, where the entangled states will be realized naturally by self-organization of atoms incorporated in these molecules, i.e., without additional external effect of q-bits on the system. The specified self-organization may be due to intramolecular processes and, in particular, intramolecular rearrangement called valence tautomerism, which leads to heterogeneous magnetic states, i.e., to phase layering in paramagnetic cluster owing to interelectron correlations. The states realized during the phase layering can be used for coding the digits. Since such states correspond to specific structures of para-magnetic molecule, they can exist as much as long under certain conditions. In turn, it means that the account of the interelectron correlations, which take place in strongly correlated compounds, allows （at least, in principle） one to create elementary quantum bit of the information capable of modeling the elementary logical operations. Creation of a network of such quantum bits combined in a certain sequence should be considered as a practical step on a way to experimental realization of the idea of quantum computer creation. The group consisting of three quantum points can make the basis of quantum computer. In such a gate, quantum points can be connected via the interaction modeled by spin-spin interaction, characteristic for ABX system in NMR spectroscopy. The tunnel effect, which can be easily realized and controlled, can act as an indicator of bonding in such a block. The calculation procedure can be organized assuming that the initial state of the group corresponds to 1. Infringement of such a state indicates to zero （or, on the contrary）. Thus, the calculation in the binary system becomes organized. The creation of a network on the basis of combination of such processors in certain sequence should be considered as a practical step on a way to experimental realization of the idea of the quantum computer creation.展开更多
The conformational change of biological macromolecule is investigated from the point of quantum transition.A quantum theory on protein folding is proposed.Compared with other dynamical variables such as mobile electro...The conformational change of biological macromolecule is investigated from the point of quantum transition.A quantum theory on protein folding is proposed.Compared with other dynamical variables such as mobile electrons,chemical bonds and stretching-bending vibrations the molecular torsion has the lowest energy and can be looked as the slow variable of the system.Simultaneously,from the multi-minima property of torsion potential the local conformational states are well defined.Following the idea that the slow variables slave the fast ones and using the nonadiabaticity operator method we deduce the Hamiltonian describing conformational change.It is shown that the influence of fast variables on the macromolecule can fully be taken into account through a phase transformation of slow variable wave function.Starting from the conformation-transition Hamiltonian the nonradiative matrix element was calculated and a general formulas for protein folding rate was deduced.The analytical form of the formula was utilized to study the temperature dependence of protein folding rate and the curious non-Arrhenius temperature relation was interpreted.By using temperature dependence data the multi-torsion correlation was studied.The decoherence time of quantum torsion state is estimated.The proposed folding rate formula gives a unifying approach for the study of a large class problems of biological conformational change.展开更多
Proteins are essential parts of living organisms and participate in virtually every process within cells. As the genomlc sequences for increasing number of organisms are completed, research into how proteins can perfo...Proteins are essential parts of living organisms and participate in virtually every process within cells. As the genomlc sequences for increasing number of organisms are completed, research into how proteins can perform such a variety of functions has become much more intensive because the value of the genomic sequences relies on the accuracy of understanding the encoded gene products. Although the static three-dimensional structures of many proteins are known, the functions of proteins are ulti- mately governed by their dynamic characteristics, including the folding process, conformational fluctuations, molecular mo- tions, and protein-ligand interactions. In this review, the physicochemical principles underlying these dynamic processes are discussed in depth based on the free energy landscape （FEL） theory. Questions of why and how proteins fold into their native conformational states, why proteins are inherently dynamic, and how their dynamic personalities govern protein functions are answered. This paper will contribute to the understanding of structure-function relationship of proteins in the post-genome era of life science research.展开更多
基金The Natural Science Foundation of Hunan Province (No.05JJ30122),the Education Department Foundation of Hunan Prov-ince (No.05C519).
文摘In order to fully realize semantic interoperability among distributed and heterogeneous applications on the web, a set of effective interoperability mechanisms is presented. This mechanism adopts service interactive interfaces （SII） and service aggregative interfaces （SAI） modeled with abstract state machine （ASM） to abstractly describe the behavior of the invoked web service instances, which makes business processing accurately specify tasks and effectively solves the problems of communication and collaboration between service providers and service requesters. The mechanism also uses appropriate mediators to solve the problems of information and coinmunication incompatibility during the course of service interaction, which is convenient for service interoperability, sharing and integration. The mechanism＇ s working principle and interoperability implementation are illustrated by a use case in detail.
文摘The manuscript deals with the possibility of application of collective behavior of quantum particles to realize the quantum calculation procedure. The above collective behavior is likely resulted from interelectron correlations, characteristic for strongly correlated systems containing atoms with unoccupied 3d-, 4f- and 5f- shells. Among such systems can be the heterospin systems, complexes of paramagnetic ions of transition metals with organic radicals, because for such objects, spin-spin interaction between unpaired electron spins of different paramagnetic centers is typical. To apply the aforementioned possibility for the organization of real quantum calculations, it is necessary to synthesize such paramagnetic molecules （paramagnetic clusters）, where the entangled states will be realized naturally by self-organization of atoms incorporated in these molecules, i.e., without additional external effect of q-bits on the system. The specified self-organization may be due to intramolecular processes and, in particular, intramolecular rearrangement called valence tautomerism, which leads to heterogeneous magnetic states, i.e., to phase layering in paramagnetic cluster owing to interelectron correlations. The states realized during the phase layering can be used for coding the digits. Since such states correspond to specific structures of para-magnetic molecule, they can exist as much as long under certain conditions. In turn, it means that the account of the interelectron correlations, which take place in strongly correlated compounds, allows （at least, in principle） one to create elementary quantum bit of the information capable of modeling the elementary logical operations. Creation of a network of such quantum bits combined in a certain sequence should be considered as a practical step on a way to experimental realization of the idea of quantum computer creation. The group consisting of three quantum points can make the basis of quantum computer. In such a gate, quantum points can be connected via the interaction modeled by spin-spin interaction, characteristic for ABX system in NMR spectroscopy. The tunnel effect, which can be easily realized and controlled, can act as an indicator of bonding in such a block. The calculation procedure can be organized assuming that the initial state of the group corresponds to 1. Infringement of such a state indicates to zero （or, on the contrary）. Thus, the calculation in the binary system becomes organized. The creation of a network on the basis of combination of such processors in certain sequence should be considered as a practical step on a way to experimental realization of the idea of the quantum computer creation.
文摘The conformational change of biological macromolecule is investigated from the point of quantum transition.A quantum theory on protein folding is proposed.Compared with other dynamical variables such as mobile electrons,chemical bonds and stretching-bending vibrations the molecular torsion has the lowest energy and can be looked as the slow variable of the system.Simultaneously,from the multi-minima property of torsion potential the local conformational states are well defined.Following the idea that the slow variables slave the fast ones and using the nonadiabaticity operator method we deduce the Hamiltonian describing conformational change.It is shown that the influence of fast variables on the macromolecule can fully be taken into account through a phase transformation of slow variable wave function.Starting from the conformation-transition Hamiltonian the nonradiative matrix element was calculated and a general formulas for protein folding rate was deduced.The analytical form of the formula was utilized to study the temperature dependence of protein folding rate and the curious non-Arrhenius temperature relation was interpreted.By using temperature dependence data the multi-torsion correlation was studied.The decoherence time of quantum torsion state is estimated.The proposed folding rate formula gives a unifying approach for the study of a large class problems of biological conformational change.
基金supported by the National Natural Science Foundation of China(31370715,31160181,31360277,30860011)the National Basic Research Program of China(2013CB127500)+1 种基金the Program of Innovation Group of Yunnan Province(2011CI123)Foundation for Key Teacher in Yunnan University(XT412003)
文摘Proteins are essential parts of living organisms and participate in virtually every process within cells. As the genomlc sequences for increasing number of organisms are completed, research into how proteins can perform such a variety of functions has become much more intensive because the value of the genomic sequences relies on the accuracy of understanding the encoded gene products. Although the static three-dimensional structures of many proteins are known, the functions of proteins are ulti- mately governed by their dynamic characteristics, including the folding process, conformational fluctuations, molecular mo- tions, and protein-ligand interactions. In this review, the physicochemical principles underlying these dynamic processes are discussed in depth based on the free energy landscape （FEL） theory. Questions of why and how proteins fold into their native conformational states, why proteins are inherently dynamic, and how their dynamic personalities govern protein functions are answered. This paper will contribute to the understanding of structure-function relationship of proteins in the post-genome era of life science research.
