Spectrin domains,characterized by a distinctive triple helix structure,are crucial in physiological processes,particularly in maintaining membrane shape and crosslinking cytoskeletons.Previous research on the 16th dom...Spectrin domains,characterized by a distinctive triple helix structure,are crucial in physiological processes,particularly in maintaining membrane shape and crosslinking cytoskeletons.Previous research on the 16th domain of a-spectrin repeats(R16)has yielded conflicting results:bulk experiments showed an unfolding rate approximately two orders of magnitude faster than the zero-force result extrapolated from single-molecule force spectroscopy experiments using atomic force microscopy(AFM).To address this discrepancy,we investigated the folding and unfolding rates of R16 across a broader range of forces using magnetic tweezers(MT).Our findings reveal that AFM results at higher forces cannot be directly extrapolated to the low-force regime due to a nonlinear relationship between force and the logarithm of the unfolding rate.We demonstrated that two-dimensional model,structural-elastic model,and two-pathway model can all effectively explain the experimental data when they capture the core physics of the short unfolding distance at low forces.Our study provides a more comprehensive understanding of the unfolding dynamics of the spectrin domain,resolves previous contradictory experimental results,and highlights the common basis of different theoretical models.展开更多
Despite the expansive applications of gas-phase unfolding techniques,the molecular mechanism for the solvent-free forced unfolding pathway which substrate multidomain proteins usually adopt remains elusive at the seco...Despite the expansive applications of gas-phase unfolding techniques,the molecular mechanism for the solvent-free forced unfolding pathway which substrate multidomain proteins usually adopt remains elusive at the secondary structure level.Herein,upon carefully selecting CRM_(197) as a therapeutically-relevant model system containing multiple secondary structure-separated domains,we systematically examine its solvent-free unfolding pathway.Further-more,utilizing the hybrid of noncovalent chemical probing with niacinamide and ion mobility-mass spectrometry-guided all-atom molecular dynamics simulations,we map a nearly complete unfolding atlas for the conjugate vaccine carrier protein CRM_(197) in a domain-and secondary structure-resolved manner.The totality of our data supports the preferential unfolding of the sheet-rich domain,indicating the dynamic transition from β-sheet toα-helix,and demonstrating that helix exhibit comparatively higher stability thanβ-sheets.We propose that this sheet-to-helix dynamic transition may be central to the gas-phase unfolding pathways of multidomain proteins,suggesting the need for systematic studies on additional multidomain protein systems.展开更多
We have performed molecular dynamics simulations on the reversible folding/unfolding of small α-helix(short Ala based peptide Ala5) in explicit water solvent in terms of ABEEMσπ/MM.A dynamics analysis shows that t...We have performed molecular dynamics simulations on the reversible folding/unfolding of small α-helix(short Ala based peptide Ala5) in explicit water solvent in terms of ABEEMσπ/MM.A dynamics analysis shows that the α-helical turn can be preserved up to a period of about 2 ns at 300 K,which supports the conclusions of Margulis et al.The time trajectory of the root mean square deviation between the heavy atoms of the backbone and the helical reference structure indicate that "helix melting and formation occurs rapidly on a time scale of 0.1 ns at 300 K" is not a felicitous conclusion.We first quantificationally concluded that the helix nucleation can maintain 2 ns,1―1.5 ns and 0.8 ns for Ala5 at 300 K,400 K and 500 K,respectively.Furthermore,increasing temperature dose not alter the pathway of folding/unfolding,but change the rate.An analysis of structures in a "transition-state ensemble" shows that helix-to-coil transitions occurs predominantly through breaking of hydrogen bonds at the helix ends(92%),particularly at the C-terminus(50%).Hydrogen bonds' breaking and formation occurs on a time scale of 0.1 ns.展开更多
An understanding of protein folding/unfolding processes has important implications for all biological processes, in- eluding protein degradation, protein translocation, aging, and diseases. All-atom molecular dynamics...An understanding of protein folding/unfolding processes has important implications for all biological processes, in- eluding protein degradation, protein translocation, aging, and diseases. All-atom molecular dynamics （MD） simulations are uniquely suitable for it because of their atomic level resolution and accuracy. However, limited by computational ca- pabilities, nowadays even for small and fast-folding proteins, all-atom MD simulations of protein folding still presents a great challenge. An alternative way is to study unfolding process using MD simulations at high temperature. High temper- ature provides more energy to overcome energetic barriers to unfolding, and information obtained from studying unfolding can shed light on the mechanism of folding. In the present study, a 1000-ns MD simulation at high temperature （500 K） was performed to investigate the unfolding process of a small protein, chicken villin headpiece （HP-35）. To infer the folding mechanism, a Markov state model was also built from our simulation, which maps out six macrostates during the folding/unfolding process as well as critical transitions between them, revealing the folding mechanism unambiguously.展开更多
In an attempt to realize a flapping wing micro-air vehicle with morphing wings, we report on improvements to our previousfoldable artificial hind wing.Multiple hinges, which were implemented to mimic the bending zone ...In an attempt to realize a flapping wing micro-air vehicle with morphing wings, we report on improvements to our previousfoldable artificial hind wing.Multiple hinges, which were implemented to mimic the bending zone of a beetle hind wing, weremade of small composite hinge plates and tiny aluminum rivets.The buck-tails of rivets were flared after the hinge plates wereassembled with the rivets so that the folding/unfolding motions could be completed in less time, and the straight shape of theartificial hind wing could be maintained after fabrication.Folding and unfolding actions were triggered by electrically-activatedShape Memory Alloy (SMA) wires.For wing folding, the actuation characteristics of the SMA wire actuator were modifiedthrough heat treatment.Through a series of flapping tests, we confirmed that the artificial wings did not fold back and arbitrarilyfluctuate during the flapping motion.展开更多
Determining the similarity degree between process models was very important for their management,reuse,and analysis.Current approaches either focused on process model's structural aspect,or had inefficiency or imp...Determining the similarity degree between process models was very important for their management,reuse,and analysis.Current approaches either focused on process model's structural aspect,or had inefficiency or imprecision in behavioral similarity.Aiming at these problems,a novel similarity measure which extended an existing method named Transition Adjacent Relation(TAR) with improved precision and efficiency named TAR * was proposed.The ability of measuring similarity was extended by eliminating the duplicate tasks without impacting the behaviors.For precision,TARs was classified into repeatable and unrepeatable ones to identify whether a TAR was involved in a loop.Two new kinds of TARs were added,one related to the invisible tasks after the source place and before sink place,and the other representing implicit dependencies.For efficiency,all TARs based on unfolding instead of its reach ability graph of a labeled Petri net were calculated to avoid state space explosion.Experiments on artificial and real-world process models showed the effectiveness and efficiency of the proposed method.展开更多
An accurate energy calibration of a 5＂× 2＂ BC501A liquid scintillator-based neutron detector by means of photon sources and the unfolding of pulse height spectra are described. The photon responses were measure...An accurate energy calibration of a 5＂× 2＂ BC501A liquid scintillator-based neutron detector by means of photon sources and the unfolding of pulse height spectra are described. The photon responses were measured with 22Na, 137Cs and 54Mn photon sources and simulated using the GRESP code, which was developed at the Physiknlisch Technische Bundesanstalt in Germany. Pulse height spectra produced by three different photon sources were employed to investigate the effects of the unfolding techniques. It was found that the four unfolding codes of the HEPRO and UMG3.3 packages, including GRAVEL, UNFANA, MIEKE and MAXED, performed well with the test spectra and produced generally consistent results. They could therefore be used to obtain neutron energy spectra in toknmak experiments.展开更多
Many biological functions of RNA molecules are re- lated to their pseudoknot structures. It is significant for predicting the structure and function of RNA that learning about the stability and the process of RNA pseu...Many biological functions of RNA molecules are re- lated to their pseudoknot structures. It is significant for predicting the structure and function of RNA that learning about the stability and the process of RNA pseudoknot folding and unfolding. The structural features of mouse mammary tumor virus （MMTV） RNA pseudoknot in different ion concentration, the unfolding process of the RNA pseudoknot, and the two hairpin helices that constitute the RNA pseudoknot were studied with all atom molecule dynam- ics simulation method in this paper. We found that the higher cation concentration can cause structure of the RNA molecules more stable, and ions played an indispensable role in keeping the structure of RNA molecules stable; the unfolding process of hair- pin structure was corresponding to the antiprocess of its folding process. The main pathway of pseudoknot unfolding was that the inner base pair opened first, and then, the two helices, which formed the RNA pseudoknot opened decussately, while the folding pathway of the RNA pseudoknot was a helix folding after forma- tion of the other helix. Therefore, the unfolding process of RNA pseudoknot is different from the antiprocess of its folding process, and the unfolding process of each helix in the RNA pseudoknot is similar to the hairpin structure＇s unfolding process, which means that both are the unzipping process.展开更多
Src SH3 protein domain is a typical two-state protein which has been confirmed by research of denaturant-induced unfolding dynamics.Force spectroscopy experiments by optical tweezers and atomic force microscopy have m...Src SH3 protein domain is a typical two-state protein which has been confirmed by research of denaturant-induced unfolding dynamics.Force spectroscopy experiments by optical tweezers and atomic force microscopy have measured the force-dependent unfolding rates with different kinds of pulling geometry.However,the equilibrium folding and unfolding dynamics at constant forces has not been reported.Here,using stable magnetic tweezers,we performed equilibrium folding and unfolding dynamic measurement and force-jump measurement of src SH3 domain with tethering points at its N-and C-termini.From the obtained force-dependent transition rates,a detailed two-state free energy landscape of src SH3 protein is constructed with quantitative information of folding free energy,transition state barrier height and position,which exemplifies the capability of magnetic tweezers to study protein folding and unfolding dynamics.展开更多
We introduced stability of arbitrary degree number for unfordings of bifurcation problems and established the equivalence of three stabilities. Thom's transversality theory is used to character the new stability.
For the unfolding of equivariant bifurcation problems with two types of state variables in the presence of parameter symmetry,the versal unfolding theorem with respect to left-right equivalence is obtained by using th...For the unfolding of equivariant bifurcation problems with two types of state variables in the presence of parameter symmetry,the versal unfolding theorem with respect to left-right equivalence is obtained by using the related methods and techniques in the singularity theory of smooth map-germs.The corresponding results in[4,9]can be considered as its special cases.A relationship between the versal unfolding w.r.t.left-right equivalence and the versal deformation w.r.t.contact equivalence is established.展开更多
Based on the left_right equivalent relation of smooth map_germs in singularity theory, the unfoldings of multiparameter equivariant bifurcation problems with respect to left_right equivalence are discussed. The state ...Based on the left_right equivalent relation of smooth map_germs in singularity theory, the unfoldings of multiparameter equivariant bifurcation problems with respect to left_right equivalence are discussed. The state variables of such an equivariant bifurcation problem were divided into two groups, in which the first can vary independently, while the others depend on the first in the varying process. By applying related methods and techniques in the unfolding theory of smooth map_germs, the necessary and sufficient condition for an unfolding of a multiparameter equivariant bifurcation problem with two groups of state variables to be versal is obtained.展开更多
A self-adaptive differential evolution neutron spectrum unfolding algorithm(SDENUA)is established in this study to unfold the neutron spectra obtained from a water-pumping-injection multilayered concentric sphere neut...A self-adaptive differential evolution neutron spectrum unfolding algorithm(SDENUA)is established in this study to unfold the neutron spectra obtained from a water-pumping-injection multilayered concentric sphere neutron spectrometer(WMNS).Specifically,the neutron fluence bounds are estimated to accelerate the algorithm convergence,and the minimum error between the optimal solution and input neutron counts with relative uncertainties is limited to 10^(-6)to avoid unnecessary calculations.Furthermore,the crossover probability and scaling factor are self-adaptively controlled.FLUKA Monte Carlo is used to simulate the readings of the WMNS under(1)a spectrum of Cf-252 and(2)its spectrum after being moderated,(3)a spectrum used for boron neutron capture therapy,and(4)a reactor spectrum.Subsequently,the measured neutron counts are unfolded using the SDENUA.The uncertainties of the measured neutron count and the response matrix are considered in the SDENUA,which does not require complex parameter tuning or an a priori default spectrum.The results indicate that the solutions of the SDENUA agree better with the IAEA spectra than those of MAXED and GRAVEL in UMG 3.1,and the errors of the final results calculated using the SDENUA are less than 12%.The established SDENUA can be used to unfold spectra from the WMNS.展开更多
The DNA i-motif is a quadruplex structure formed in tandem cytosine-rich sequences in slightly acidic conditions. Besides being considered as a building block of DNA nano-devices, it may also play potential roles in r...The DNA i-motif is a quadruplex structure formed in tandem cytosine-rich sequences in slightly acidic conditions. Besides being considered as a building block of DNA nano-devices, it may also play potential roles in regulating chromo- some stability and gene transcriptions. The stability of i-motif is crucial for these functions. In this work, we investigated the mechanical stability of a single i-motif formed in the human telomeric sequence 51-（CCCTAA）3CCC, which revealed a novel pH and loading rate-dependent bimodal unfolding force distribution. Although the cause of the bimodal unfolding force species is not clear, we proposed a phenomenological model involving a direct unfolding favored at lower loading rate or higher pH value, which is subject to competition with another unfolding pathway through a mechanically stable inter- mediate state whose nature is yet to be determined. Overall, the unique mechano-chemical responses of i-motif-provide a new perspective to its stability, which may be useful to guide designing new i-motif-based DNA mechanical nano-devices.展开更多
In this paper,the (?)-equivariant (s, t)-equivalence relation and (?)-equivariant infinitesimally (r, s)-stability of (?)-equivariant bifurcation problem are defined. The criterion for (?)-equivariant infinitesimally ...In this paper,the (?)-equivariant (s, t)-equivalence relation and (?)-equivariant infinitesimally (r, s)-stability of (?)-equivariant bifurcation problem are defined. The criterion for (?)-equivariant infinitesimally (r, s)-stability is proven when (?) is a compact finite Lie group .Transversality condition is used to characterize the stability.展开更多
The response functions and pulse height spectrum(PHS) of a 2''×2'' BC501A detector were obtained through a general-purpose Monte Carlo simulation toolkit,Geant4.A relatively simple but effective m...The response functions and pulse height spectrum(PHS) of a 2''×2'' BC501A detector were obtained through a general-purpose Monte Carlo simulation toolkit,Geant4.A relatively simple but effective method was adopted to unfold the PHS.Recommendations regarding the response matrix were proposed to optimize the unfolding results.The results indicate that the accuracy of the unfolding can be greatly improved using many incident neutrons with a wide energy range,a proper energy interval,and an appropriate channel width of the response matrix.The above-mentioned method was verified by unfolding three different types of simulated spectrum,the results of which are in good accord with the simulated distribution.展开更多
Ultra-large plate forgings are foundation of heavy machinery,but many parts of the type cannot be made by conventional technologies due to the characters of extreme manufacturing in terms of size and quality requireme...Ultra-large plate forgings are foundation of heavy machinery,but many parts of the type cannot be made by conventional technologies due to the characters of extreme manufacturing in terms of size and quality requirements.This paper introduced a systematically method called cylinder unfolding method(CUM)for producing large plate forgings,by using a serial of operations including“splitting”,“unfolding”,and“flattening”of a thick cylinder obtained from saddle forging.The technological route of CUM was presented in detail with an example of plate forging with the horizontal sizes of 6100 mm and thickness of 300 mm.The deformation features of saddle forging for fabricating transitional cylinders were analyzed,and then the subsequent handling steps including splitting,unfolding and flattening of the cylinder,as well as the auxiliary processing,were addressed.The practice proved that CUM can provide an efficient way for manufacturing ultra-large plate forgings and meet the strict requirements in geometry and mechanical performance,without highly increasing the investments of forming equipment and tooling.展开更多
基金supported by the National Natural Science Foun-dation of China(Grant Nos.12174322,12474200,32271367,and 12204389)111 Project(B16029)Research Grant from Wenzhou Institute.
文摘Spectrin domains,characterized by a distinctive triple helix structure,are crucial in physiological processes,particularly in maintaining membrane shape and crosslinking cytoskeletons.Previous research on the 16th domain of a-spectrin repeats(R16)has yielded conflicting results:bulk experiments showed an unfolding rate approximately two orders of magnitude faster than the zero-force result extrapolated from single-molecule force spectroscopy experiments using atomic force microscopy(AFM).To address this discrepancy,we investigated the folding and unfolding rates of R16 across a broader range of forces using magnetic tweezers(MT).Our findings reveal that AFM results at higher forces cannot be directly extrapolated to the low-force regime due to a nonlinear relationship between force and the logarithm of the unfolding rate.We demonstrated that two-dimensional model,structural-elastic model,and two-pathway model can all effectively explain the experimental data when they capture the core physics of the short unfolding distance at low forces.Our study provides a more comprehensive understanding of the unfolding dynamics of the spectrin domain,resolves previous contradictory experimental results,and highlights the common basis of different theoretical models.
基金support by the National Key R&D Program of China(No.2022YFA1305200,to GL)National Natural Science Foundation of China(No.22104064 to GL,No.22173020 to JL)the US National Institute of Mental Health(No.R01MH122742,to CJW)for financial and instrumental support.
文摘Despite the expansive applications of gas-phase unfolding techniques,the molecular mechanism for the solvent-free forced unfolding pathway which substrate multidomain proteins usually adopt remains elusive at the secondary structure level.Herein,upon carefully selecting CRM_(197) as a therapeutically-relevant model system containing multiple secondary structure-separated domains,we systematically examine its solvent-free unfolding pathway.Further-more,utilizing the hybrid of noncovalent chemical probing with niacinamide and ion mobility-mass spectrometry-guided all-atom molecular dynamics simulations,we map a nearly complete unfolding atlas for the conjugate vaccine carrier protein CRM_(197) in a domain-and secondary structure-resolved manner.The totality of our data supports the preferential unfolding of the sheet-rich domain,indicating the dynamic transition from β-sheet toα-helix,and demonstrating that helix exhibit comparatively higher stability thanβ-sheets.We propose that this sheet-to-helix dynamic transition may be central to the gas-phase unfolding pathways of multidomain proteins,suggesting the need for systematic studies on additional multidomain protein systems.
文摘We have performed molecular dynamics simulations on the reversible folding/unfolding of small α-helix(short Ala based peptide Ala5) in explicit water solvent in terms of ABEEMσπ/MM.A dynamics analysis shows that the α-helical turn can be preserved up to a period of about 2 ns at 300 K,which supports the conclusions of Margulis et al.The time trajectory of the root mean square deviation between the heavy atoms of the backbone and the helical reference structure indicate that "helix melting and formation occurs rapidly on a time scale of 0.1 ns at 300 K" is not a felicitous conclusion.We first quantificationally concluded that the helix nucleation can maintain 2 ns,1―1.5 ns and 0.8 ns for Ala5 at 300 K,400 K and 500 K,respectively.Furthermore,increasing temperature dose not alter the pathway of folding/unfolding,but change the rate.An analysis of structures in a "transition-state ensemble" shows that helix-to-coil transitions occurs predominantly through breaking of hydrogen bonds at the helix ends(92%),particularly at the C-terminus(50%).Hydrogen bonds' breaking and formation occurs on a time scale of 0.1 ns.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11175068 and 11474117)the Self-determined Research Funds of CCNU from the Colleges Basic Research and Operation of MOE,China(Grant No.230-20205170054)
文摘An understanding of protein folding/unfolding processes has important implications for all biological processes, in- eluding protein degradation, protein translocation, aging, and diseases. All-atom molecular dynamics （MD） simulations are uniquely suitable for it because of their atomic level resolution and accuracy. However, limited by computational ca- pabilities, nowadays even for small and fast-folding proteins, all-atom MD simulations of protein folding still presents a great challenge. An alternative way is to study unfolding process using MD simulations at high temperature. High temper- ature provides more energy to overcome energetic barriers to unfolding, and information obtained from studying unfolding can shed light on the mechanism of folding. In the present study, a 1000-ns MD simulation at high temperature （500 K） was performed to investigate the unfolding process of a small protein, chicken villin headpiece （HP-35）. To infer the folding mechanism, a Markov state model was also built from our simulation, which maps out six macrostates during the folding/unfolding process as well as critical transitions between them, revealing the folding mechanism unambiguously.
基金supported by the Korea Science and Engineering Foundation Grant(National Research Laboratory Program,R0A-2007-000-200012-0)the Korea Research Foundation(KRF-006-005-J03301)partially supported by the 2009 KU Brain Pool of Konkuk University
文摘In an attempt to realize a flapping wing micro-air vehicle with morphing wings, we report on improvements to our previousfoldable artificial hind wing.Multiple hinges, which were implemented to mimic the bending zone of a beetle hind wing, weremade of small composite hinge plates and tiny aluminum rivets.The buck-tails of rivets were flared after the hinge plates wereassembled with the rivets so that the folding/unfolding motions could be completed in less time, and the straight shape of theartificial hind wing could be maintained after fabrication.Folding and unfolding actions were triggered by electrically-activatedShape Memory Alloy (SMA) wires.For wing folding, the actuation characteristics of the SMA wire actuator were modifiedthrough heat treatment.Through a series of flapping tests, we confirmed that the artificial wings did not fold back and arbitrarilyfluctuate during the flapping motion.
基金Project supported by the National Science Foundation,China(No.61003099)the National Basic Research Program,China(No.2009CB320700)
文摘Determining the similarity degree between process models was very important for their management,reuse,and analysis.Current approaches either focused on process model's structural aspect,or had inefficiency or imprecision in behavioral similarity.Aiming at these problems,a novel similarity measure which extended an existing method named Transition Adjacent Relation(TAR) with improved precision and efficiency named TAR * was proposed.The ability of measuring similarity was extended by eliminating the duplicate tasks without impacting the behaviors.For precision,TARs was classified into repeatable and unrepeatable ones to identify whether a TAR was involved in a loop.Two new kinds of TARs were added,one related to the invisible tasks after the source place and before sink place,and the other representing implicit dependencies.For efficiency,all TARs based on unfolding instead of its reach ability graph of a labeled Petri net were calculated to avoid state space explosion.Experiments on artificial and real-world process models showed the effectiveness and efficiency of the proposed method.
基金supported by the State Key Development Program for Basic Research of China (Nos. 2008CB717803, 2009GB107001,2007CB209903)the Research Fund for the Doctoral Program of Higher Education of China (No. 200610011023)National Natural Science Foundation of China (No. 10875002)
文摘An accurate energy calibration of a 5＂× 2＂ BC501A liquid scintillator-based neutron detector by means of photon sources and the unfolding of pulse height spectra are described. The photon responses were measured with 22Na, 137Cs and 54Mn photon sources and simulated using the GRESP code, which was developed at the Physiknlisch Technische Bundesanstalt in Germany. Pulse height spectra produced by three different photon sources were employed to investigate the effects of the unfolding techniques. It was found that the four unfolding codes of the HEPRO and UMG3.3 packages, including GRAVEL, UNFANA, MIEKE and MAXED, performed well with the test spectra and produced generally consistent results. They could therefore be used to obtain neutron energy spectra in toknmak experiments.
基金Supported by the National Natural Science Foundation of China(10774115)the Doctoral Fund of Ministry of Education of China(20110141110009)
文摘Many biological functions of RNA molecules are re- lated to their pseudoknot structures. It is significant for predicting the structure and function of RNA that learning about the stability and the process of RNA pseudoknot folding and unfolding. The structural features of mouse mammary tumor virus （MMTV） RNA pseudoknot in different ion concentration, the unfolding process of the RNA pseudoknot, and the two hairpin helices that constitute the RNA pseudoknot were studied with all atom molecule dynam- ics simulation method in this paper. We found that the higher cation concentration can cause structure of the RNA molecules more stable, and ions played an indispensable role in keeping the structure of RNA molecules stable; the unfolding process of hair- pin structure was corresponding to the antiprocess of its folding process. The main pathway of pseudoknot unfolding was that the inner base pair opened first, and then, the two helices, which formed the RNA pseudoknot opened decussately, while the folding pathway of the RNA pseudoknot was a helix folding after forma- tion of the other helix. Therefore, the unfolding process of RNA pseudoknot is different from the antiprocess of its folding process, and the unfolding process of each helix in the RNA pseudoknot is similar to the hairpin structure＇s unfolding process, which means that both are the unzipping process.
基金the National Natural Science Foundation of China(Grant Nos.11874309 and 11474237)the 111 Project(Grant No.B16029)。
文摘Src SH3 protein domain is a typical two-state protein which has been confirmed by research of denaturant-induced unfolding dynamics.Force spectroscopy experiments by optical tweezers and atomic force microscopy have measured the force-dependent unfolding rates with different kinds of pulling geometry.However,the equilibrium folding and unfolding dynamics at constant forces has not been reported.Here,using stable magnetic tweezers,we performed equilibrium folding and unfolding dynamic measurement and force-jump measurement of src SH3 domain with tethering points at its N-and C-termini.From the obtained force-dependent transition rates,a detailed two-state free energy landscape of src SH3 protein is constructed with quantitative information of folding free energy,transition state barrier height and position,which exemplifies the capability of magnetic tweezers to study protein folding and unfolding dynamics.
基金Supported by the National Natural Science Foundation of China(198710 74)
文摘We introduced stability of arbitrary degree number for unfordings of bifurcation problems and established the equivalence of three stabilities. Thom's transversality theory is used to character the new stability.
文摘For the unfolding of equivariant bifurcation problems with two types of state variables in the presence of parameter symmetry,the versal unfolding theorem with respect to left-right equivalence is obtained by using the related methods and techniques in the singularity theory of smooth map-germs.The corresponding results in[4,9]can be considered as its special cases.A relationship between the versal unfolding w.r.t.left-right equivalence and the versal deformation w.r.t.contact equivalence is established.
文摘Based on the left_right equivalent relation of smooth map_germs in singularity theory, the unfoldings of multiparameter equivariant bifurcation problems with respect to left_right equivalence are discussed. The state variables of such an equivariant bifurcation problem were divided into two groups, in which the first can vary independently, while the others depend on the first in the varying process. By applying related methods and techniques in the unfolding theory of smooth map_germs, the necessary and sufficient condition for an unfolding of a multiparameter equivariant bifurcation problem with two groups of state variables to be versal is obtained.
基金supported by the National Key R&D Program of the MOST of China(No.2016YFA0300204)the National Natural Science Foundation of China(Nos.11227902)as part of the Si PáME2beamline project+1 种基金supported by the National Natural Science Foundation of China(No.41774120)the Sichuan Science and Technology Program(No.2021YJ0329)。
文摘A self-adaptive differential evolution neutron spectrum unfolding algorithm(SDENUA)is established in this study to unfold the neutron spectra obtained from a water-pumping-injection multilayered concentric sphere neutron spectrometer(WMNS).Specifically,the neutron fluence bounds are estimated to accelerate the algorithm convergence,and the minimum error between the optimal solution and input neutron counts with relative uncertainties is limited to 10^(-6)to avoid unnecessary calculations.Furthermore,the crossover probability and scaling factor are self-adaptively controlled.FLUKA Monte Carlo is used to simulate the readings of the WMNS under(1)a spectrum of Cf-252 and(2)its spectrum after being moderated,(3)a spectrum used for boron neutron capture therapy,and(4)a reactor spectrum.Subsequently,the measured neutron counts are unfolded using the SDENUA.The uncertainties of the measured neutron count and the response matrix are considered in the SDENUA,which does not require complex parameter tuning or an a priori default spectrum.The results indicate that the solutions of the SDENUA agree better with the IAEA spectra than those of MAXED and GRAVEL in UMG 3.1,and the errors of the final results calculated using the SDENUA are less than 12%.The established SDENUA can be used to unfold spectra from the WMNS.
基金supported by Grants from the National Research Foundation through the Mechanobiology Institute Singapore and the Ministry of Education of Singapore(Grant No.MOE2012-T3-1-001)[to Yan J]the National Basic Research Program of China(Grant No.2013CB932800)+1 种基金the Major Research Plan of the National Natural Science Foundation of China(Grant Nos.91027046 and 91027045)the Fundamental Research Funds for the Central Universities(Grant No.2013121005)
文摘The DNA i-motif is a quadruplex structure formed in tandem cytosine-rich sequences in slightly acidic conditions. Besides being considered as a building block of DNA nano-devices, it may also play potential roles in regulating chromo- some stability and gene transcriptions. The stability of i-motif is crucial for these functions. In this work, we investigated the mechanical stability of a single i-motif formed in the human telomeric sequence 51-（CCCTAA）3CCC, which revealed a novel pH and loading rate-dependent bimodal unfolding force distribution. Although the cause of the bimodal unfolding force species is not clear, we proposed a phenomenological model involving a direct unfolding favored at lower loading rate or higher pH value, which is subject to competition with another unfolding pathway through a mechanically stable inter- mediate state whose nature is yet to be determined. Overall, the unique mechano-chemical responses of i-motif-provide a new perspective to its stability, which may be useful to guide designing new i-motif-based DNA mechanical nano-devices.
基金Supported by the National Nature Science Foundation of China (10261002)
文摘In this paper,the (?)-equivariant (s, t)-equivalence relation and (?)-equivariant infinitesimally (r, s)-stability of (?)-equivariant bifurcation problem are defined. The criterion for (?)-equivariant infinitesimally (r, s)-stability is proven when (?) is a compact finite Lie group .Transversality condition is used to characterize the stability.
基金supported by the Funding Agency ITER(No.2014GB11204)
文摘The response functions and pulse height spectrum(PHS) of a 2''×2'' BC501A detector were obtained through a general-purpose Monte Carlo simulation toolkit,Geant4.A relatively simple but effective method was adopted to unfold the PHS.Recommendations regarding the response matrix were proposed to optimize the unfolding results.The results indicate that the accuracy of the unfolding can be greatly improved using many incident neutrons with a wide energy range,a proper energy interval,and an appropriate channel width of the response matrix.The above-mentioned method was verified by unfolding three different types of simulated spectrum,the results of which are in good accord with the simulated distribution.
基金Project(cstc2018jcyjAX0159)supported by the Natural Science Foundation of Chongqing,ChinaProject(51575066)supported by the National Natural Science Foundation of China。
文摘Ultra-large plate forgings are foundation of heavy machinery,but many parts of the type cannot be made by conventional technologies due to the characters of extreme manufacturing in terms of size and quality requirements.This paper introduced a systematically method called cylinder unfolding method(CUM)for producing large plate forgings,by using a serial of operations including“splitting”,“unfolding”,and“flattening”of a thick cylinder obtained from saddle forging.The technological route of CUM was presented in detail with an example of plate forging with the horizontal sizes of 6100 mm and thickness of 300 mm.The deformation features of saddle forging for fabricating transitional cylinders were analyzed,and then the subsequent handling steps including splitting,unfolding and flattening of the cylinder,as well as the auxiliary processing,were addressed.The practice proved that CUM can provide an efficient way for manufacturing ultra-large plate forgings and meet the strict requirements in geometry and mechanical performance,without highly increasing the investments of forming equipment and tooling.
