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      The bending rigidity of the red blood cell cytoplasmic membrane

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          Abstract

          An important mechanical property of cells is the membrane bending modulus, κ. In the case of red blood cells (RBCs) there is a composite membrane consisting of a cytoplasmic membrane and an underlying spectrin network. Literature values of κ are puzzling, as they are reported over a wide range, from 5 k BT to 230 k BT. To disentangle the contribution of the cytoplasmic membrane from the spectrin network, we investigated the bending of red blood cell cytoplasmic membranes (RBC cm ) in the absence of spectrin and adenosine triphosphate (ATP). We used a combination of X-ray diffuse scattering (XDS), neutron spin-echo (NSE) spectrometry and Molecular Dynamics (MD) simulations. Our results indicate values of κ of order 4 k BT to 6 k BT, relatively small compared to literature values for most single component lipid bilayers. We suggest two ways this relative softness might confer biological advantage.

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          CHARMM-GUI: a web-based graphical user interface for CHARMM.

          CHARMM is an academic research program used widely for macromolecular mechanics and dynamics with versatile analysis and manipulation tools of atomic coordinates and dynamics trajectories. CHARMM-GUI, http://www.charmm-gui.org, has been developed to provide a web-based graphical user interface to generate various input files and molecular systems to facilitate and standardize the usage of common and advanced simulation techniques in CHARMM. The web environment provides an ideal platform to build and validate a molecular model system in an interactive fashion such that, if a problem is found through visual inspection, one can go back to the previous setup and regenerate the whole system again. In this article, we describe the currently available functional modules of CHARMM-GUI Input Generator that form a basis for the advanced simulation techniques. Future directions of the CHARMM-GUI development project are also discussed briefly together with other features in the CHARMM-GUI website, such as Archive and Movie Gallery. 2008 Wiley Periodicals, Inc.
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            Frequency spectrum of the flicker phenomenon in erythrocytes

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              Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chains.

              Quantitative structures are obtained at 30 degrees C for the fully hydrated fluid phases of palmitoyloleoylphosphatidylcholine (POPC), with a double bond on the sn-2 hydrocarbon chain, and for dierucoylphosphatidylcholine (di22:1PC), with a double bond on each hydrocarbon chain. The form factors F(qz) for both lipids are obtained using a combination of three methods. (1) Volumetric measurements provide F(0). (2) X-ray scattering from extruded unilamellar vesicles provides /F(qz)/ for low q(z). (3) Diffuse X-ray scattering from oriented stacks of bilayers provides /F(qz)/ for high q(z). Also, data using method (2) are added to our recent data for dioleoylphosphatidylcholine (DOPC) using methods (1) and (3); the new DOPC data agree very well with the recent data and with (4) our older data obtained using a liquid crystallographic X-ray method. We used hybrid electron density models to obtain structural results from these form factors. The result for area per lipid (A) for DOPC 72.4 +/- 0.5 A(2) agrees well with our earlier publications, and we find A = 69.3 +/- 0.5 A2 for di22:1PC and A = 68.3 +/- 1.5 A2 for POPC. We obtain the values for five different average thicknesses: hydrophobic, steric, head-head, phosphate-phosphate and Luzzati. Comparison of the results for these three lipids and for our recent dimyristoylphosphatidylcholine (DMPC) determination provides quantitative measures of the effect of unsaturation on bilayer structure. Our results suggest that lipids with one monounsaturated chain have quantitative bilayer structures closer to lipids with two monounsaturated chains than to lipids with two completely saturated chains.
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                Author and article information

                Contributors
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: VisualizationRole: Writing – original draftRole: Writing – review & editing
                Role: Formal analysisRole: InvestigationRole: MethodologyRole: Writing – original draft
                Role: MethodologyRole: Resources
                Role: Methodology
                Role: MethodologyRole: ResourcesRole: Supervision
                Role: MethodologyRole: Resources
                Role: Formal analysisRole: InvestigationRole: MethodologyRole: ResourcesRole: Writing – original draft
                Role: ConceptualizationRole: Formal analysisRole: InvestigationRole: MethodologyRole: SoftwareRole: ValidationRole: VisualizationRole: Writing – original draftRole: Writing – review & editing
                Role: ConceptualizationRole: Formal analysisRole: Funding acquisitionRole: InvestigationRole: MethodologyRole: Project administrationRole: ResourcesRole: SupervisionRole: Writing – original draftRole: Writing – review & editing
                Role: Editor
                Journal
                PLoS One
                PLoS One
                plos
                PLoS ONE
                Public Library of Science (San Francisco, CA USA )
                1932-6203
                2022
                1 August 2022
                : 17
                : 8
                : e0269619
                Affiliations
                [1 ] Department of Physics and Astronomy, McMaster University, Hamilton, ON, Canada
                [2 ] Origins Institute, McMaster University, Hamilton, ON, Canada
                [3 ] Department of Pathology and Cell Biology, Columbia University Vagelos College of Physicians and Surgeons and New York-Presbyterian Hospital, New York, New York, United States of America
                [4 ] University of Colorado Denver-Anschutz Medical Campus, Aurora, Colorado, United States of America
                [5 ] Faculty of Health Sciences, Ontario Tech University, Oshawa, ON, Canada
                [6 ] Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada
                [7 ] Department of Pathology and Molecular Medicine, McMaster University, Hamilton, ON, Canada
                [8 ] Centre for Innovation, Canadian Blood Services, Hamilton, ON, Canada
                [9 ] Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD, United States of America
                [10 ] Department of Materials Science and Engineering, University of Maryland, College Park, MD, United States of America
                [11 ] Department of Physics and Astronomy, University of Delaware, Newark, DE, United States of America
                [12 ] Department of Physics, Carnegie Mellon University, Pittsburgh, PA, United States of America
                Peking University, CHINA
                Author notes

                Competing Interests: The authors have declared that no competing interests exist.

                Author information
                https://orcid.org/0000-0002-2193-932X
                https://orcid.org/0000-0002-5870-8189
                https://orcid.org/0000-0003-3617-251X
                https://orcid.org/0000-0002-0558-7475
                Article
                PONE-D-21-39715
                10.1371/journal.pone.0269619
                9342732
                35913930
                2bb679b5-665b-4544-8dba-6f5dbd92962f

                This is an open access article, free of all copyright, and may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose. The work is made available under the Creative Commons CC0 public domain dedication.

                History
                : 17 December 2021
                : 24 May 2022
                Page count
                Figures: 3, Tables: 1, Pages: 20
                Funding
                Funded by: funder-id http://dx.doi.org/10.13039/501100002790, Canadian Network for Research and Innovation in Machining Technology, Natural Sciences and Engineering Research Council of Canada;
                Award Recipient :
                Funded by: funder-id http://dx.doi.org/10.13039/100009776, McMaster University;
                Award Recipient :
                Funded by: funder-id http://dx.doi.org/10.13039/100013873, Government of Ontario;
                Award Recipient :
                Funded by: funder-id http://dx.doi.org/10.13039/501100000196, Canada Foundation for Innovation;
                Award Recipient :
                Funded by: funder-id http://dx.doi.org/10.13039/501100008982, National Science Foundation;
                Award ID: DMR-2010792
                Award Recipient :
                Funded by: National Institute of General and Medical Sciences
                Award ID: RM1GM131968 (ADA)
                Award Recipient :
                Funded by: funder-id http://dx.doi.org/10.13039/100000050, National Heart, Lung, and Blood Institute;
                Award ID: R01HL146442 (ADA)
                Award Recipient :
                This research was funded by the Natural Sciences and Engineering Research Council of Canada (NSERC), the Canada Foundation for Innovation (CFI) and the Ontario Ministry of Economic Development and Innovation. S.H. is the recipient of the H.G. Thode Postdoctoral Fellowship at McMaster University. M.C.R. is the recipient of an Early Researcher Award of the Province of Ontario and a University Scholar of McMaster University. S.M.Q. was the recipient of a Postdoctoral Fellowship from Canadian Blood Services. We acknowledge the support of the National Institute of Standards and Technology, U.S. Department of Commerce, in providing the neutron research facilities used in this work. Access to NGA-NSE and the NGB30-SANS was provided by the Center for High Resolution Neutron Scattering, a partnership between the National Institute of Standards and Technology and the National Science Foundation under Agreement No. DMR-2010792. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.
                Categories
                Research Article
                Biology and Life Sciences
                Biochemistry
                Lipids
                Biology and Life Sciences
                Biochemistry
                Proteins
                Cytoskeletal Proteins
                Spectrins
                Physical Sciences
                Physics
                Classical Mechanics
                Deformation
                Bending
                Physical Sciences
                Physics
                Classical Mechanics
                Damage Mechanics
                Deformation
                Bending
                Biology and Life Sciences
                Biochemistry
                Biochemical Simulations
                Biology and Life Sciences
                Computational Biology
                Biochemical Simulations
                Biology and Life Sciences
                Biochemistry
                Lipids
                Cholesterol
                Biology and Life Sciences
                Cell Biology
                Cellular Structures and Organelles
                Vesicles
                Liposomes
                Biology and Life Sciences
                Cell Biology
                Cellular Structures and Organelles
                Cell Membranes
                Biology and Life Sciences
                Cell Biology
                Cellular Structures and Organelles
                Cell Membranes
                Lipid Bilayer
                Biology and Life Sciences
                Biochemistry
                Lipids
                Lipid Bilayer
                Custom metadata
                All data is included in the manuscript and/or Supporting information. MD models are uploaded as Supporting information.

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