Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study

Although single-lipid bilayers are usually considered models of eukaryotic plasma membranes, their research drops drastically when it comes to exclusively anionic lipid membranes. Being a major anionic phospholipid in the inner leaflet of eukaryote membranes, phosphatidylserine-constituted lipid mem...

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Main Authors: Lea Pašalić, Barbara Pem, Danijela Bakarić
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Membranes
Subjects:
Online Access:https://www.mdpi.com/2077-0375/13/1/83
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author Lea Pašalić
Barbara Pem
Danijela Bakarić
author_facet Lea Pašalić
Barbara Pem
Danijela Bakarić
author_sort Lea Pašalić
collection DOAJ
description Although single-lipid bilayers are usually considered models of eukaryotic plasma membranes, their research drops drastically when it comes to exclusively anionic lipid membranes. Being a major anionic phospholipid in the inner leaflet of eukaryote membranes, phosphatidylserine-constituted lipid membranes were occasionally explored in the form of multilamellar liposomes (MLV), but their inherent instability caused a serious lack of efforts undertaken on large unilamellar liposomes (LUVs) as more realistic model membrane systems. In order to compensate the existing shortcomings, we performed a comprehensive calorimetric, spectroscopic and MD simulation study of time-varying structural features of LUV made from 1,2-dipalmitoyl-<i>sn</i>-glycero-3-phospho-L-serine (DPPS), whereas the corresponding MLV were examined as a reference. A substantial uncertainty of UV/Vis data of LUV from which only <i>T</i><sub>m</sub> was unambiguously determined (53.9 ± 0.8 °C), along with rather high uncertainty on the high-temperature range of DPPS melting profile obtained from DSC (≈50–59 °C), presumably reflect distinguished surface structural features in LUV. The FTIR signatures of glycerol moiety and those originated from carboxyl group serve as a strong support that in LUV, unlike in MLV, highly curved surfaces occur continuously, whereas the details on the attenuation of surface features in MLV were unraveled by molecular dynamics.
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spelling doaj.art-7b90f2a4184e4343af5af0fb6cded4dd2023-11-30T23:26:59ZengMDPI AGMembranes2077-03752023-01-011318310.3390/membranes13010083Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational StudyLea Pašalić0Barbara Pem1Danijela Bakarić2Division for Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, CroatiaDivision for Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, CroatiaDivision for Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička 54, 10000 Zagreb, CroatiaAlthough single-lipid bilayers are usually considered models of eukaryotic plasma membranes, their research drops drastically when it comes to exclusively anionic lipid membranes. Being a major anionic phospholipid in the inner leaflet of eukaryote membranes, phosphatidylserine-constituted lipid membranes were occasionally explored in the form of multilamellar liposomes (MLV), but their inherent instability caused a serious lack of efforts undertaken on large unilamellar liposomes (LUVs) as more realistic model membrane systems. In order to compensate the existing shortcomings, we performed a comprehensive calorimetric, spectroscopic and MD simulation study of time-varying structural features of LUV made from 1,2-dipalmitoyl-<i>sn</i>-glycero-3-phospho-L-serine (DPPS), whereas the corresponding MLV were examined as a reference. A substantial uncertainty of UV/Vis data of LUV from which only <i>T</i><sub>m</sub> was unambiguously determined (53.9 ± 0.8 °C), along with rather high uncertainty on the high-temperature range of DPPS melting profile obtained from DSC (≈50–59 °C), presumably reflect distinguished surface structural features in LUV. The FTIR signatures of glycerol moiety and those originated from carboxyl group serve as a strong support that in LUV, unlike in MLV, highly curved surfaces occur continuously, whereas the details on the attenuation of surface features in MLV were unraveled by molecular dynamics.https://www.mdpi.com/2077-0375/13/1/831,2-dipalmitoyl-<i>sn</i>-glycero-3-phospho-L-serine sodium salt (DPPS)multilamellar and large unilamellar vesicles (MLV and LUV)surface curvature fluctuationsinterbilayer waterspectroscopic and calorimetric studyMD simulations
spellingShingle Lea Pašalić
Barbara Pem
Danijela Bakarić
Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
Membranes
1,2-dipalmitoyl-<i>sn</i>-glycero-3-phospho-L-serine sodium salt (DPPS)
multilamellar and large unilamellar vesicles (MLV and LUV)
surface curvature fluctuations
interbilayer water
spectroscopic and calorimetric study
MD simulations
title Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
title_full Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
title_fullStr Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
title_full_unstemmed Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
title_short Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study
title_sort lamellarity driven differences in surface structural features of dpps lipids spectroscopic calorimetric and computational study
topic 1,2-dipalmitoyl-<i>sn</i>-glycero-3-phospho-L-serine sodium salt (DPPS)
multilamellar and large unilamellar vesicles (MLV and LUV)
surface curvature fluctuations
interbilayer water
spectroscopic and calorimetric study
MD simulations
url https://www.mdpi.com/2077-0375/13/1/83
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AT barbarapem lamellaritydrivendifferencesinsurfacestructuralfeaturesofdppslipidsspectroscopiccalorimetricandcomputationalstudy
AT danijelabakaric lamellaritydrivendifferencesinsurfacestructuralfeaturesofdppslipidsspectroscopiccalorimetricandcomputationalstudy