Zobrazeno 1 - 10
of 79
pro vyhledávání: '"Arnold Maliniak"'
Publikováno v:
The Journal of Physical Chemistry B. 120:9621-9631
It is well established that trehalose (TRH) affects the physical properties of lipid bilayers and stabilizes biological membranes. We present molecular dynamics (MD) computer simulations to investigate the interactions between lipid membranes formed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5396d5783236fe777d28413f7a176111
https://doi.org/10.1021/acs.jpcb.6b06566
https://doi.org/10.1021/acs.jpcb.6b06566
Autor:
Arnold Maliniak, Martin Dahlberg
Publikováno v:
Journal of chemical theory and computation. 6(5)
Lipid shape and charge are connected with the physical properties and the biological function of membranes. Cardiolipin, a double phospholipid with four chains and the potential of changing its charge with pH, is crucially connected with mitochondria
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2d28901a0c3d4c9c157af36dceb64935
https://pubmed.ncbi.nlm.nih.gov/26615696
https://pubmed.ncbi.nlm.nih.gov/26615696
Publikováno v:
The Journal of Physical Chemistry B
In this article, we present quantum chemical density functional theory (DFT) calculations of the NMR (13)C chemical shift (CS) tensors in 2,3,6,7,10,11-hexahexylthiotriphenylene (HHTT). The DFT calculations are performed on a smaller model molecule w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70299fd227a2d2ec80e4a7fe6e560558
https://doi.org/10.1021/jp2027669
https://doi.org/10.1021/jp2027669
Publikováno v:
The Journal of Physical Chemistry A. 114:4375-4387
Cardiolipin is a key lipid component in many biological membranes. Proton conduction and proton-lipid interactions on the membrane surface are thought to be central to mitochondrial energy production. However, details on the cardiolipin headgroup str
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::375f0795d2e8d6aecf533307f1400dc0
https://doi.org/10.1021/jp9110019
https://doi.org/10.1021/jp9110019
Autor:
Volker Schmidts, Robert Berger, Arnold Maliniak, Christina M. Thiele, Iria Louzao, Benjamin Böttcher, Baltzar Stevensson
Publikováno v:
Angewandte Chemie International Edition. 48:6708-6712
Mission possible! The motional averaging of NMR spectroscopic data complicates the determination of conformation and relative configuration in flexible organic molecules. Two alternative routes are discussed for the treatment of conformational equili
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6db1889617028ad62029d5f6f6016d0e
https://doi.org/10.1002/anie.200902398
https://doi.org/10.1002/anie.200902398
Autor:
Martin Dahlberg, Arnold Maliniak
Publikováno v:
The Journal of Physical Chemistry B. 112:11655-11663
Cardiolipin is a key lipid component in the inner mitochondrial membrane, where the lipid is involved in energy production, cristae structure, and mechanisms in the apoptotic pathway. In this article we used molecular dynamics computer simulations to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7145f0a6b1c5504802da7cecf33b39c
https://doi.org/10.1021/jp803414g
https://doi.org/10.1021/jp803414g
The disaccharide trehalose (TRH) strongly affects the physical properties of lipid bilayers. We investigate interactions between lipid membranes formed by 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and TRH using NMR spectroscopy and molecular
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a16eb2f5e4524a77139f8901aaf0323e
http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-120651
http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-120651
Publikováno v:
Journal of Magnetic Resonance
A novel MAS NMR approach is presented for the determination of heteronuclear dipolar couplings in unoriented materials. The technique is based on the proton-detected local field (PDLF) protocol, and achieves dipolar recoupling by R-type radio-frequen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fcd476df59faaa9e080d2576f5ba310f
https://doi.org/10.1016/j.jmr.2004.03.001
https://doi.org/10.1016/j.jmr.2004.03.001
Publikováno v:
Chemical Physics Letters
We present a new NMR method for measuring 1H–2H dipolar couplings in macroscopically oriented media. To overcome the lack of dipolar resolution in 1D 1H and 2H spectra of deuterated molecules, we use a 2D heteronuclear correlation experiment where
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0214c614c034fade823d7c48051b32df
https://doi.org/10.1016/j.cplett.2003.10.071
https://doi.org/10.1016/j.cplett.2003.10.071
Publikováno v:
The Journal of Chemical Physics. 119:2738-2746
This paper describes a new approach for analysis of residual dipolar couplings (RDCs). The method, which focuses on construction of the conformational distribution function, is applied to 4-n-pentyl-4′-cyanobiphenyl in the nematic phase. The RDCs a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3024551f446ee4da53b4ed17a19edbb8
https://doi.org/10.1063/1.1586914
https://doi.org/10.1063/1.1586914