Zobrazeno 1 - 10
of 118
pro vyhledávání: '"Jan Kubelka"'
Publikováno v:
Life, Vol 7, Iss 3, p 35 (2017)
The RNA world hypothesis holds that in the evolutionary events that led to the emergence of life RNA preceded proteins and DNA and is supported by the ability of RNA to act as both a genetic polymer and a catalyst. On the other hand, biosynthesis of
Externí odkaz:
https://doaj.org/article/365f4f0f701c4750a54bd8267a2ed344
Publikováno v:
The Journal of Physical Chemistry B. 126:1136-1146
The liquid-vapor interfacial properties of hydrocarbons and their mixtures are important factors in a wide range of industrial processes and applications. Determining these properties experimentally, however, is not only practically demanding, but ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::540aa98037240426b62cbd2883d332b8
https://doi.org/10.1021/acs.jpcb.1c09122
https://doi.org/10.1021/acs.jpcb.1c09122
Publikováno v:
The journal of physical chemistry. B.
Liquid-vapor interfacial properties of alkane mixtures present a challenge for experimental determination, especially under conditions relevant to the energy industry processes. Molecular dynamics (MD) simulations can accurately predict interfacial t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::003064cbd395e4037165cb5f15f5da50
https://pubmed.ncbi.nlm.nih.gov/36563326
https://pubmed.ncbi.nlm.nih.gov/36563326
Autor:
Tereza Hubáčková, Jan Kubelka, Jakub Kaminský, Nina Biačková, Františka Horáčková, Ondřej Socha
Publikováno v:
The Journal of Physical Chemistry B. 125:11350-11363
Lactic and malic acids are key substances in a number of biochemical processes in living cells and are also utilized in industry. Vibrational spectroscopy represents an efficient and sensitive way to study their structure and interactions. Since wate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cf4e888fe3c99d7e8ee2b56d6f98350
https://doi.org/10.1021/acs.jpcb.1c05480
https://doi.org/10.1021/acs.jpcb.1c05480
Publikováno v:
Journal of Molecular Liquids. 380:121663
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b0ae8bef49393594a453fa9ab85a753
https://doi.org/10.1016/j.molliq.2023.121663
https://doi.org/10.1016/j.molliq.2023.121663
Publikováno v:
The Journal of Physical Chemistry B. 125:6658-6669
Molecular dynamics (MD) simulations were used to study vapor-liquid equilibrium interfacial properties of n-alkane and n-alkane/CO2 mixtures over a wide range of pressure and temperature conditions. The simulation methodology, based on CHARMM molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f74546e7a9923bb36751ba7f5281fa20
https://doi.org/10.1021/acs.jpcb.1c03673
https://doi.org/10.1021/acs.jpcb.1c03673
Publikováno v:
Langmuir. 37:6641-6649
Due to the importance of the dolomite mineral in carbonate reservoirs, the wettability characteristics of dolomite surfaces were studied with both experiments and molecular dynamics simulations. Contact angle measurements confirm that the dolomite su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6fa8055621bf2e62f771142855ef0dc
https://doi.org/10.1021/acs.langmuir.1c00415
https://doi.org/10.1021/acs.langmuir.1c00415
Publikováno v:
The Journal of Physical Chemistry B. 125:1293-1305
Wettability alteration of oil-wet calcite by surfactants was studied by means of molecular dynamics (MD) simulations. The simulations use the recently developed model for positively charged calcite surface, whose oil-wet state originates from binding
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::606cfe237e82693752452604f5eef053
https://doi.org/10.1021/acs.jpcb.0c10361
https://doi.org/10.1021/acs.jpcb.0c10361
Autor:
Milan Balaz, Jan Kubelka, Brian M. Leonard, Shambhavi Tannir, Krisztina Varga, Yoonbin A. Joh, Yuri H. Kwon
Publikováno v:
Journal of Materials Chemistry C. 9:17483-17495
We studied CdS QDs capped with chiral epimers, structural analogs, and positional isomers and determined that match/mismatch stereo-effects together with position and type of functional group affect the optical and chiroptical properties of CdS.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e11bd82930ab1fd513fea3e693bc90f
https://doi.org/10.1039/d1tc04496f
https://doi.org/10.1039/d1tc04496f
Autor:
Brian M. Leonard, Harish Vashisth, Mark A. Townley, Lev Levintov, Milan Balaz, Jan Kubelka, Krisztina Varga, Shambhavi Tannir
Publikováno v:
Chemistry of Materials. 32:2272-2281
For the supramolecular chemistry of self-assembly systems, a major goal is to achieve the level of control of the assembly process equal to the capabilities of classical asymmetric organic synthesi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3b980ccc4739f27a02677865ff0e75a
https://doi.org/10.1021/acs.chemmater.9b04092
https://doi.org/10.1021/acs.chemmater.9b04092