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Chinese Journal of Polymer Science 2023年第3期41卷 459-464,I0010页

作者： Zi-Ren Chen Wu Zhou Lei Shen School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China

Despite extensive researches on the motion of polymer chains on lipid membranes,the effect of membrane fluctuations on polymer chain dynamics remains poorly understood.Here we report single molecule tracking experiments that allow for comparable measurements of polymer chain diffusion dynamics on nanotubular and planar phospholipid membranes.We observe a super-diffusion behavior and no apparent chain-length-dependent mobility of polymer chains on nanotubular membranes,while a Brownian motion and apparent chain-lengthdependent mobility of polymer chains on planar membranes.We suggest the super-diffusion nature of polymer chains may be due to the thermal-fluctuations of lipid nanotubes,which can be described from a statistical thermodynamic phenomenon coupling of polymer chain dynamics and surface thermal fluctuations.We suggest that the existence of surface environment fluctuations should influence the dynamics of the adsorbed polymer chains.This study provides previously uncharacterized insights into polymer diffusion dynamics on thermal-fluctuating flexible surfaces,which is essential to understanding the effect of environment fluctuations on polymer chain behaviors.

关键词： Polymer diffusion lipid membrane Scaling behavior

Peptides-based vaccine against SARS-nCoV-2 antigenic fragmented synthetic epitopes recognized by T cell and β-cell initiation of specific antibodies tofightthe infection

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Bio-Design and Manufacturing 2021年第3期4卷 490-505页

作者： Zainularifeen Abduljaleel Faisal A.Al-Allaf Syed A.Aziz Department of Medical Genetics Faculty of MedicineUmm Al-Qura UniversityP.O.Box715Mecca21955Kingdom of Saudi Arabia Science and Technology Unit UmmAl-Qura UniversityP.O.Box 715Mecca21955Kingdom of SaudiArabia The Regional Laboratory Molecular Diagnostics UnitDepartment of Molecular BiologyMinistry of Health(MOH)P.O.Box 6251MeccaKingdom of SaudiArabia Department of Pathology and Lab Medicine University of Ottawa451Smyth RoadOttawaONK1H8M5Canada

The World Health Organization has declared the rapidly spreading coronavirus to be a global pandemic.The FDA is yet to approve a vaccine for human novel coronavirus.Here,we developed a peptide-based vaccine and used high-throughput screening by molecular dynamics simulation to identify T-cell-and p-cell-recognized epitopes for producing specific antibod-ies against SARS-nCoV-2.We construct~12 P'antigenic epitope peptides to develop a more effective vaccine and identify specific antibodies.These epitope peptides selectively presented the best antigen presentation scores for both human pMHC class I and II alleles to develop a strong binding affinity.All antigens identified of SARS-nCoV-2 different proteins by each attached specific~1-7 L linker adaptor were used to construct a broad single peripheral peptide vaccine.It is expected to be highly antigenic with a minimum allergic effect.As a result of these exciting outcomes,expressing a vaccine using the intimated peptide was highly promising and positive to be highly proposed as epitope-based peptide vaccine of specific antibody against SARS-nCoV-2 by initiating T cells and β-cells.An in vitro study for the proposed peptide-based vaccine is.mostly recommended.Further clinical trials are required to check the efficacy of this vaccine.

关键词： COVID-19 SARS-nCoV-2 Peptide-based vaccine Cell-penetrating peptides lipid membrane Vaccine efficacy

First integrals of the axisymmetric shape equation of lipid membranes

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Chinese Physics B 2018年第3期27卷 551-559页

作者：张一恒 Zachary McDargh 涂展春 Department of Physics Beijing Normal University Department of Physics Carnegie Mellon University

The shape equation of lipid membranes is a fourth-order partial differential equation. Under the axisymmetric condi- tion, this equation was transformed into a second-order ordinary differential equation （ODE） by Zheng and Liu （Phys. Rev. E 48 2856 （1993））. Here we try to further reduce this second-order ODE to a first-order ODE. First, we invert the usual process of variational calculus, that is, we construct a Lagrangian for which the ODE is the corresponding Euler-Lagrange equation. Then, we seek symmetries of this Lagrangian according to the Noether theorem. Under a certain restriction on Lie groups of the shape equation, we find that the first integral only exists when the shape equation is identical to the Will- more equation, in which case the symmetry leading to the first integral is scale invariance. We also obtain the mechanical interpretation of the first integral by using the membrane stress tensor.

关键词： lipid membrane shape equation first integral Noether theorem

Curvature-induced lipid segregation

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Chinese Physics B 2015年第6期24卷 95-99页

作者：郑斌孟庆田 Robin L.B.Selinger Jonathan V.Selinger 叶方富 College of Physics and Electronics Shandong Normal University Beijing National Laboratory for Condensed Matter Physics and Key Laboratory of Soft Matter Physics of Chinese Academy of Sciences Institute of PhysicsChinese Academy of Sciences Liquid Crystal Institute Kent State University

We investigate how an externally imposed curvature influences lipid segregation on two-phase-coexistent membranes. We show that the bending-modulus contrast of the two phases and the curvature act together to yield a reduced effective line tension. On largely curved membranes, a state of multiple domains （or rafts） forms due to a mechanism analogous to that causing magnetic-vortex formation in type-II superconductors. We determine the criterion for such a multi-domain state to occur; we then calculate respectively the size of the domains formed on cylindrically and spherically curved membranes.

关键词： curvature phase separation lipid membrane rafts

Interactions of human islet amyloid polypeptide with lipid structure of different curvatures

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Theoretical & Applied Mechanics Letters 2020年第6期10卷 412-418页

作者： Le Mei Wenhui Shen Xuwei Wu Jie Liu Dechang Li Baohua Ji Biomechanics and Biomaterials Laboratory Department of Applied MechanicsBeijing Institute of TechnologyBeijing 100081China Institute of Applied Mechanics Department of Engineering MechanicsZhejiang UniversityHangzhou 310027China

Curvature is one of the most important features of lipid membranes in living cells,which significantly influences the structure of lipid membranes and their interaction with proteins.Taken the human islet amyloid polypeptide(h IAPP),an important protein related to the pathogenesis of type II diabetes,as an example,we performed molecular dynamics(MD)simulations to study the interaction between the protein and the lipid structures with varied curvatures.We found that the lipids in the high curvature membrane pack loosely with high mobility.The h IAPP initially forms H-bonds with the membrane surface that anchored the protein,and then inserts into the membrane through the hydrophobic interactions between the residues and the hydrophobic tails of the lipids.h IAPP can insert into the membrane more deeply with a larger curvature and with a stronger binding strength.Our result provided important insights into the mechanism of the membrane curvature-dependent property of proteins with molecular details.

关键词： lipid membrane Curvature Human islet amyloid polypeptide Molecular dynamics

Self-Assembling of lipid membrane: Applications of Coarse-Grained Simulations with Explicit and Implicit Solvent

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Self-Assembling of Lipid Membrane: Applications of Coarse-Gr...

Translocation of Cell Penetrating Peptides

第十三届全国量子化学会议

作者： Lianghui Gao College of Chemistry Beijing Normal University

Coarse-grained Molecular Dynamics（CGMD） is a powerful tool to investigate the self-assembly of lipid membrane with biomoelcules and nanoparticles. In this talk, I will present some applications of both explicit-solvent and implicit-solvent CGMD models. The first example is Human islet amyloid polypeptide（hIAPP）-induced membrane damage simulated by explicit-solvent Dissipative Particle Dynamics. We demonstrated that the membrane is porated via the combination of peptide charge-induced electroporation and peptide hydrophobicity-induced lipid disordering and membrane thinning. According to these mechanisms, we suggest that a water-miscible small organic fluorogen is a potent inhibitor to rescue hIAPP-induced cytotoxicity. The second example is the formation of phospholipid-coated gold nanorods（GNRs） using implicit-solvent CGMD simulations. We predicted a rich phase diagram of the lipid-coated GNRs,including a deformed vesicle encapsulating GNRs, a semi-ring attached to an excess vesicle, a branch attaching to an excess vesicle, as well as ring, branch,vortex, and stack phases. The morphologies of the lipid-GNR complexes depend on the lipid/GNR molar ratio and the interaction strength between the nanorod surface and the lipid head groups.

关键词： self-assemble coarse-grained lipid membrane

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Translocation of Cell Penetrating Peptides

Aggregation behavior of hydrophobic nanoparticles in the interior of lipid

中国化学会第29届学术年会

作者： Xinli Gao Hongsong Xianren Zhang State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology

In real cell environment,as we all know,ionic charge imbalance is ever present,thus forming electrostatic potential cross the membrane.Cellular processes,including the delivery of drug,polymer,micro-and macro-molecule,may rely on transmembrane potential.A number of experimental studies demonstrate that cell-penetrating peptides（CPPs）can enter cells in an energy-independent way,which is known as direct translocation.The entry is complementary to endocytosis and featured by the rapid uptake,making CPPs as a fascinating intracellular deliver agent.The ability of CPPs that can carry drugs into cells,however,the mechanism of CPP penetrating is still unknown.Here,molecular dynamics simulation method is applied to show that transmembrane potential induced by ion imbalance plays an important role for the translocation of CPPs.Furthermore,during the translocation process,a nanoscale hydrophilic hole is found in the lipid membrane,which can facilitate CPPs transporting into cell through membrane.This findings not only interpret the mechanism of CPPs penetrating across membrane,but also demonstrate the importantce of transmembrane potential in cell activity.

关键词： ion imbalance cell-penetrating peptides lipid membrane tranmembrane potential nanoscale hole

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Aggregation behavior of hydrophobic nanoparticles in the int...