Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Martina Požar"'
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-9 (2022)
Abstract Hydrogen bonded liquids are associated liquids and tend to exhibit local inhomogeneity in the form of clusters and segregated sub-nano domains. It is an open question as to whether Hbonded clusters in pure water have common features with the
Externí odkaz:
https://doaj.org/article/85c180caae364b3fb58f5c78d837a7e0
Autor:
Visnja Kokic Males, Martina Požar
Publikováno v:
ACS Omega, Vol 6, Iss 23, Pp 15382-15391 (2021)
Externí odkaz:
https://doaj.org/article/50190ebfa4fd4a77a52c9e95c709a958
Autor:
Visnja Kokic Males, Martina Požar
Publikováno v:
Molecular Simulation. 49:867-876
Sodium-glucose cotransporter-2 (SGLT2) inhibitors are a group of drugs that are a staple in diabetes treatment. Its representatives dapagliflozin and empagliflozin are oftentimes used in combination with other antidiabetic drugs such as metformin. In
Autor:
Martina Požar, Visnja Kokic Males
Publikováno v:
ACS Omega
ACS Omega, Vol 6, Iss 23, Pp 15382-15391 (2021)
ACS Omega, Vol 6, Iss 23, Pp 15382-15391 (2021)
Metformin is considered as the go-to drug in the treatment of diabetes. However, it is either prescribed in lower doses or not prescribed at all to patients with kidney problems. To find a potential explanation for this practice, we employed atomisti
Publikováno v:
The Journal of chemical physics. 156(12)
Some binary mixtures, such as specific alcohol–alkane mixtures or even water–tbutanol, exhibit two humps “camel back” shaped Kirkwood–Buff integrals (KBIs). This is in sharp contrast with the usual KBIs of binary mixtures having a single ex
Liquids are disordered and they come in two variants [1]: simple disorder, such as Lennard-Jones liquids, CCL4, or weakly polar liquids such as acetone, and complex disorder, such as water, alcohols, hydrogen bonding liquids, or soft-matter and biolo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=57a035e5b1ae::f2436acfb3d5039c8c0d7b69c1e0e6ca
https://www.bib.irb.hr/1216073
https://www.bib.irb.hr/1216073
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/d1cp02027g⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/D1CP02027G⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/d1cp02027g⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (35), pp.19537-19546. ⟨10.1039/D1CP02027G⟩
Hydrogen bonding liquids, typically water and alcohols, are known to form labile structures (network, chains, etc...), hence the lifetime of such structures is an important microscopic parameter, which can be calculated in computer simulations. Since
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05db36acc97fa8a6dfc4c945e5f6c4c9
http://arxiv.org/abs/2105.03407
http://arxiv.org/abs/2105.03407
Autor:
Robin Sakrowski, Jennifer Bolle, Mirko Elbers, Aurélien Perera, S. Peter Bierwirth, Martina Požar, P. Münzner, Michael Paulus, Susanne Dogan, Metin Tolan, Göran Surmeier, Christian Sternemann, Roland Böhmer, Christian Albers
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, ⟨10.1039/d1cp02468j⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, ⟨10.1039/d1cp02468j⟩
International audience; The understanding of the microstructure of associated liquids promoted by hydrogen-bonding andconstrained by steric hindrance is highly relevant in chemistry physics, biology and for many aspects ofdaily life. In this study we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7a41632abfedee689c17c2191e81844
https://www.bib.irb.hr/1154839
https://www.bib.irb.hr/1154839
Small linear alkanes, pentane and hexane, and their cyclic counterparts, cyclopentane and cyclohexane, have been examined via molecular dynamics simulations. We assess the thermodynamic, structural and dynamic behavior of said liquids, paying particu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de9fe6ccc6ed96aebdf281ab40c8fde5
https://www.bib.irb.hr/1148234
https://www.bib.irb.hr/1148234
Publikováno v:
Molecular Basics of Liquids and Liquid-Based Materials ISBN: 9789811653940
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3ddbe78edc530674dfc9928d91030f70
https://doi.org/10.1007/978-981-16-5395-7_6
https://doi.org/10.1007/978-981-16-5395-7_6