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Protein folding as a quantum transition between conformational states

Frontiers of physics 2011年第1期6卷 133-140页

作者：罗辽复 Laboratory of Theoretical Biophysics Faculty of Physical Science and Technology Inner Mongolia University Hohhot 010021 China

Assuming that the main variables in the life processes at the molecular level are the conforma- tion of biological macromolecules and their frontier electrons a formalism of quantum theory on conformation-electron system is proposed. Based on the quantum theory of conformation-electron system, the protein folding is regarded as a quantum transition between torsion states on polypep- tide chain, and the folding rate is calculated by nonadiabatic operator method. The rate calculation is generalized to the case of frequency variation in folding. An analytical form of protein folding rate formula is obtained, which can be served as a useful tool for further studying protein folding. The application of the rate theory to explain the protein folding experiments is briefly summarized. It includes the inertial moment dependence of folding rate, the unified description of two-state and multistate protein folding, the relationship of folding and unfolding rates versus denaturant concen- tration, the distinction between exergonic and endergonic foldings, the ultrafast and the downhill folding viewed from quantum folding theory, and, finally, the temperature dependence of folding rate and the interpretation of its non-Arrhenius behaviors. All these studies support the view that the protein folding is essentially a quantum transition between conformational states.

关键词： protein folding rate quantum transition torsion states non-Arrhenius temperaturedependence exergonic and endergonic folding ultrafast folding

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quantum conformational transition in biological macromolecule

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Frontiers of Electrical and Electronic Engineering in China 2017年第2期5卷 143-158页

作者： Liaofu Luo Jun Lv School of Physical Science and Technology Inner Mongolia University Hohhot 010021 China Center for Physics Experiment College of Science Inner Mongolia University of Technology Hohhot 010051 China

Background： Recently we proposed a quantum theory on the conformational change of biomolecule, deduced several equations on protein folding rate from the first principles and discussed the experimental tests of the theory. The article is a review of these works. Methods： Based on the general equation of the conformation-transitional rate several theoretical results are deduced and compared with experimental data through bioinformatics methods. Results： The temperature dependence and the denaturant concentration dependence of the protein folding rate are deduced and compared with experimental data. The quantitative relation between protein folding rate and torsional mode number （or chain length） is deduced and the obtained formula can be applied to RNA folding as well. The quantum transition theory of two-state protein is successfully generalized to multi-state protein folding. Then, how to make direct experimental tests on the quantum property of the conformational transition of biomolecule is discussed, which includes the study of protein photo-folding and the observation of the fluctuation of the fluorescence intensity emitted from the protein folding/unfolding event. Finally, the potential applications of the present quantum folding theory to molecular biological problems are sketched in two examples： the glucose transport across membrane and the induced pluripotency in stem cell. Conclusions： The above results show that the quantum mechanics provides a unifying and logically simple theoretical starting point in studying the conformational change of biological macromoleeules. The far-reachlng results in practical application of the theory are expected.

关键词： conformational change quantum transition protein folding RNA folding temperature dependence

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quantum theory on protein folding

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Science China(Physics,Mechanics & Astronomy) 2014年第3期57卷 458-468页

作者： LUO LiaoFu Faculty of Physical Science and Technology Inner Mongolia University

The conformational change of biological macromolecule is investigated from the point of quantum transition.A quantum theory on protein folding is *** 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 ***,from the multi-minima property of torsion potential the local conformational states are well *** the idea that the slow variables slave the fast ones and using the nonadiabaticity operator method we deduce the Hamiltonian describing conformational *** 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 *** from the conformation-transition Hamiltonian the nonradiative matrix element was calculated and a general formulas for protein folding rate was *** analytical form of the formula was utilized to study the temperature dependence of protein folding rate and the curious non-Arrhenius temperature relation was *** using temperature dependence data the multi-torsion correlation was *** decoherence time of quantum torsion state is *** proposed folding rate formula gives a unifying approach for the study of a large class problems of biological conformational change.

关键词： conformational change of macromolecule quantum transition torsion potential slow variable nonadiabaticity opera-tor Berry's phase quantum decoherence time protein folding

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Multi-ion cooperative processes in Yb^(3+) clusters

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Light(Science & Applications) 2014年第1期3卷 123-128页

作者： Wei-Ping Qin Zhen-Yu Liu Chol-Nam Sin Chang-Feng Wu Guan-Shi Qin Zhe Chen Ke-Zhi Zheng State Key Laboratory on Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China

Cooperative luminescence(CL)occurs in spectral regions in which single ions do not have energy *** was first observed more than 40 years ago,and all results reported so far are from a pair of *** this work,upconverted CL of three Yb^(3+) ions was observed in the ultraviolet(UV)region under near-infrared(NIR)*** UV CL intensity showed a cubic dependence on the NIR pump power,whereas the luminescence lifetime was nearly one-third the luminescence lifetime of single Yb^(3+) *** triplet CL(TCL)has a clear spectral structure,in which most emission peaks are consistent with the self-convoluted spectra from single Yb^(3+) *** shifts were observed for certain peaks,indicating complex interactions among the excited Yb^(3+) *** probability of the TCL process versus the average distances among three Yb^(3+) ions was derived via the first-and second-order corrections to the wave functions of lanthanide ions,indicating that the formation of Yb^(3+) clusters containing closely spaced ions favors the occurrence of the multi-ion interaction ***,the cooperative sensitization of one Gd^(3+) ion by four excited Yb^(3+) ions(Yb^(3+)-tetramer)was demonstrated experimentally,which exhibited a novel upconversion mechanism—cluster *** results are intriguing for further exploring quantum transitions that simultaneously involve multiple ions.

关键词： cooperative luminescence cooperative sensitization quantum transition ytterbium cluster

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Protein photo-folding and quantum folding theory

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Science China(Life Sciences) 2012年第6期55卷 533-541页

作者： LUO LiaoFu Faculty of Physical Science and Technology Inner Mongolia UniversityHohhot 010021China

The rates of protein folding with photon absorption or emission and the cross section of photon-protein inelastic scattering are calculated from quantum folding theory by use of a field-theoretical *** protein photo-folding processes are compared with common protein folding without the interaction of photons(non-radiative folding).It is demonstrated that there exists a common factor(thermo-averaged overlap integral of the vibration wave function,TAOI) for protein folding and protein *** on this finding it is predicted that(i) the stimulated photo-folding rates and the photon-protein resonance Raman scattering sections show the same temperature dependence as protein folding;(ii) the spectral line of the electronic transition is broadened to a band that includes an abundant vibration spectrum without and with conformational transitions,and the width of each vibration spectral line is largely *** particular form of the folding rate-temperature relation and the abundant spectral structure imply the existence of quantum tunneling between protein conformations in folding and photo-folding that demonstrates the quantum nature of the motion of the conformational-electronic system.

关键词： protein folding dynamics photo-folding conformational change quantum transition

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