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http://hdl.handle.net/1942/27886
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DC Field | Value | Language |
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dc.contributor.author | Osella, Silvio | - |
dc.contributor.author | Di Meo, Florent | - |
dc.contributor.author | Murugan, N. Arul | - |
dc.contributor.author | Fabre, Gabin | - |
dc.contributor.author | AMELOOT, Marcel | - |
dc.contributor.author | Trouillas, Patrick | - |
dc.contributor.author | KNIPPENBERG, Stefan | - |
dc.date.accessioned | 2019-03-08T11:05:44Z | - |
dc.date.available | 2019-03-08T11:05:44Z | - |
dc.date.issued | 2018 | - |
dc.identifier.citation | Journal of chemical theory and computation, 14(10), p. 5350-5359 | - |
dc.identifier.issn | 1549-9618 | - |
dc.identifier.uri | http://hdl.handle.net/1942/27886 | - |
dc.description.abstract | The widespread interest in phase recognition of lipid membranes has led to the use of different optical techniques to enable differentiation of healthy and not fully functional cells. In this work, we show how the combination of different (non)linear optical methods such as one-photon absorption (OPA), two-photon absorption (TPA), and second harmonic generation (SHG) as well as the study of the fluorescence decay time leads to an enhanced screening of membrane phases using a fluorescent 1,1'-dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine (DiD) probe. In the current study we consider the pure liquid disordered phases of DOPC (dioleoyl-sn-glycero-3-phosphocholine, room temperature) and DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine, 323 K), the solid gel phase of DPPC (298 K), and the liquid ordered phase of a 2:1 binary mixture of sphingomyelin and cholesterol. By means of extensive hybrid quantum mechanics molecular mechanics calculations and based upon the (non)linear absorption of the embedded probes, it is found that DiD can be used to identify the lipid bilayer phase. The joint TPA and SHG as well as fluorescence analyses qualifies DiD as a versatile probe for phase recognition. In particular, the SHG data obtained by means of hyper-Rayleigh scattering and by electric field induced second harmonic generation reveal differences in polarization of the probe in the different environments. The TPA results finally confirm the particular location of the probe in between the polar headgroup region of the 2:1 SM:Chol mixture in the liquid ordered phase. | - |
dc.description.sponsorship | S.O. is grateful to the Center for Quantum Materials and Nordita for his funding in Sweden. S.O. acknowledges the National Science Centre, Poland, grant UMO-2015/19/P/ST4/03636 for the funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 665778. The authors thank the Swedish Infrastructure Committee (SNIC) for the computational time granted within the medium allocations in 2016 (1-87, 1-415, and 1-465) and 2017 (116, 1-102), as well as the small ones 2015/4-44 and 2017/5-3. The authors are also grateful to the "Consortium des Equipements de Calcul Intensif" (Ceci, with the Lemaitre2, Nic4, Hmem, Hercules, and Dragon1 clusters) of the Association Wallonie-Bruxelles. The Flemish Supercomputer Centre (VSC) (Flanders, Belgium) and the Herculesstichting (Flanders, Belgium) are acknowledged for the generously allocated computational time on the Tier-1 cluster Breniac as well as the Tier-2 cluster Thinking. P.T. thanks the Czech Science Foundation (P208/12/G016) and National Program of Sustainability I from the Ministry-of-Youth, Education and Sports of the Czech Republic (LO1305). | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.rights | Copyright 2018 American Chemical Society | - |
dc.title | Combining (Non)linear Optical and Fluorescence Analysis of DiD To Enhance Lipid Phase Recognition | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 5359 | - |
dc.identifier.issue | 10 | - |
dc.identifier.spage | 5350 | - |
dc.identifier.volume | 14 | - |
local.format.pages | 10 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | [Osella, Silvio] Univ Warsaw, Ctr New Technol, Banacha 2C, PL-02097 Warsaw, Poland. [Osella, Silvio; Murugan, N. Arul; Knippenberg, Stefan] Royal Inst Technol, Sch Engn Sci Chem Biotechnol & Hlth, Dept Theoret Chem & Biol, SE-10691 Stockholm, Sweden. [Di Meo, Florent; Trouillas, Patrick] Limoges Univ, Fac Pharm, INSERM, UMR 1248, 2 Rue Docteur Marcland, F-87025 Limoges, France. [Fabre, Gabin] Limoges Univ, LCSN EA1069, Fac Pharm, 2 Rue Dr Marcland, F-87025 Limoges, France. [Ameloot, Marcel; Knippenberg, Stefan] Hasselt Univ, Biomed Res Inst, B-3590 Diepenbeek, Belgium. [Trouillas, Patrick] Palacky Univ, Ctr Adv Technol & Mat, Fac Sci, Tr 17 Listopadu 12, Olomouc 77146, Czech Republic. | - |
local.publisher.place | WASHINGTON | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1021/acs.jctc.8b00553 | - |
dc.identifier.isi | 000447238500031 | - |
item.fullcitation | Osella, Silvio; Di Meo, Florent; Murugan, N. Arul; Fabre, Gabin; AMELOOT, Marcel; Trouillas, Patrick & KNIPPENBERG, Stefan (2018) Combining (Non)linear Optical and Fluorescence Analysis of DiD To Enhance Lipid Phase Recognition. In: Journal of chemical theory and computation, 14(10), p. 5350-5359. | - |
item.fulltext | With Fulltext | - |
item.validation | ecoom 2019 | - |
item.contributor | Osella, Silvio | - |
item.contributor | Di Meo, Florent | - |
item.contributor | Murugan, N. Arul | - |
item.contributor | Fabre, Gabin | - |
item.contributor | AMELOOT, Marcel | - |
item.contributor | Trouillas, Patrick | - |
item.contributor | KNIPPENBERG, Stefan | - |
item.accessRights | Open Access | - |
crisitem.journal.issn | 1549-9618 | - |
crisitem.journal.eissn | 1549-9626 | - |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
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osella 1.pdf Restricted Access | Published version | 1.48 MB | Adobe PDF | View/Open Request a copy |
Ordner1.pdf | Peer-reviewed author version | 1.93 MB | Adobe PDF | View/Open |
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