Zobrazeno 1 - 10
of 3 777
pro vyhledávání: '"HASSANALI, A."'
Over the last decade, there has been a growing body of experimental work showing that proteins devoid of aromatic and conjugated groups can absorb light in the near-UV beyond 300 nm and emit visible light. Understanding the origins of this phenomena
Externí odkaz:
http://arxiv.org/abs/2410.08624
Autor:
Mirón, Gonzalo Díaz, Lien-Medrano, Carlos R., Banerjee, Debarshi, Monti, Marta, Aradi, B., Sentef, Michael A., Niehaus, Thomas A., Hassanali, Ali
Non-adiabatic molecular dynamics (NAMD) has become an essential computational technique for studying the photophysical relaxation of molecular systems after light absorption. These phenomena require approximations that go beyond the Born-Oppenheimer
Externí odkaz:
http://arxiv.org/abs/2409.13429
Autor:
Hassanali, Ali, Egan, Colin K.
The solvent-induced interactions (SII) between flexible solutes can be separated into two distinct components: the solvation-induced conformational effect, and the joint solvation interaction (JSI). The JSI quantifies the thermodynamic effect of the
Externí odkaz:
http://arxiv.org/abs/2408.08419
Publikováno v:
PNAS, 121 (32) e2407295121 (2024)
Over the last decade, an increasing body of evidence has emerged, supporting the existence of a metastable liquid-liquid critical point in supercooled water, whereby two distinct liquid phases of different densities coexist. Analysing long molecular
Externí odkaz:
http://arxiv.org/abs/2404.08338
Autor:
Banerjee, Debarshi, Azizi, Khatereh, Egan, Colin K., Donkor, Edward Danquah, Malosso, Cesare, Di Pino, Solana, Miron, Gonzalo Diaz, Stella, Martina, Sormani, Giulia, Hozana, Germaine Neza, Monti, Marta, Morzan, Uriel N., Rodriguez, Alex, Cassone, Giuseppe, Jelic, Asja, Scherlis, Damian, Hassanali, Ali
Publikováno v:
Chem. Phys. Rev. 5, 021308 (2024)
The use of computer simulations to study the properties of aqueous systems is, today more than ever, an active area of research. In this context, during the last decade there has been a tremendous growth in the use of data-driven approaches to develo
Externí odkaz:
http://arxiv.org/abs/2403.06236
Autor:
Donkor, Edward Danquah, Offei-Danso, Adu, Rodriguez, Alex, Sciortino, Francesco, Hassanali, Ali
The presence of a second critical point in water has been a topic of intense investigation for the last few decades. The molecular origins underlying this phenomenon are typically rationalized in terms of the competition between local high-density (H
Externí odkaz:
http://arxiv.org/abs/2401.16245
Autor:
Mirón, Gonzalo Díaz, Lien-Medrano, Carlos R., Banerjee, Debarshi, Morzan, Uriel N., Sentef, Michael A., Gebauer, Ralph, Hassanali, Ali
Recent experimental findings reveal non-conventional fluorescence emission in biological systems devoid of conjugated bonds or aromatic compounds, termed \textit{Non-Aromatic Fluorescence} (NAF). This phenomenon is exclusive to aggregated or solid st
Externí odkaz:
http://arxiv.org/abs/2401.09990
Publikováno v:
BMC Plant Biology, Vol 24, Iss 1, Pp 1-13 (2024)
Abstract Background Light is a critical environmental factor in plants, encompassing two vital aspects: intensity and quality. To assess the influence of different light intensities on Origanum majorana L., pots containing the herb were subjected to
Externí odkaz:
https://doaj.org/article/6b393ff096284f1ea8d09102a6507d38
Autor:
Akram Rahimi, Shaimaa A. Qaisar, Tofigh Janeh, Hassanali Karimpour, Mitra Darbandi, Jalal Moludi
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
Abstract Background Cerebrovascular accidents (CVAs), or strokes, are major global health concerns associated with oxidative stress, inflammation, and gastrointestinal complications. This study aimed to explore the impact of postbiotic supplementatio
Externí odkaz:
https://doaj.org/article/b7129a4275f64c4eb7946cb84aae29ee
Autor:
Di Pino, Solana, Donkor, Edward Danquah, Sánchez, Verónica M., Rodriguez, Alex, Cassone, Giuseppe, Scherlis, Damian, Hassanali, Ali
Publikováno v:
J. Phys. Chem. B, 2023, 127(45), 9822-9832
The structure of the excess proton in liquid water has been the subject of lively debate from both experimental and theoretical fronts for the last century. Fluctuations of the proton are typically interpreted in terms of limiting states referred to
Externí odkaz:
http://arxiv.org/abs/2308.15319