Could tyrosine and tryptophan serve multiple roles in biological redox processes?

JR Winkler, HB Gray - Philosophical Transactions of the …, 2015 - royalsocietypublishing.org
Single-step electron tunnelling reactions can transport charges over distances of 15–20 Åin
proteins. Longer-range transfer requires multi-step tunnelling processes along redox chains …

Electron transfer in DNA

K Siriwong, AA Voityuk - Wiley Interdisciplinary Reviews …, 2012 - Wiley Online Library
During the last two decades, electron transfer (ET) through DNA and its artificial analogues
has been an area of extensive experimental and theoretical studies. This process plays an …

Electronic spectroscopy of gemcitabine and derivatives for possible dual-action photodynamic therapy applications

A Abdelgawwad, D Roca-Sanjuán… - The Journal of …, 2023 - pubs.aip.org
In this paper, we explore the molecular basis of combining photodynamic therapy (PDT), a
light-triggered targeted anticancer therapy, with the traditional chemotherapeutic properties …

Hetero-association of aromatic molecules in aqueous solution

MP Evstigneev - International Reviews in Physical Chemistry, 2014 - Taylor & Francis
Knowledge of the physical chemistry of small molecules complexation (the hetero-
association) in aqueous solution is increasingly important in view of the rapidly emerging …

Specific versus Nonspecific Solvent Interactions of a Biomolecule in Water

L He, L Tomaník, S Malerz, F Trinter… - The journal of …, 2023 - ACS Publications
Solvent interactions, particularly hydration, are vital in chemical and biochemical systems.
Model systems reveal microscopic details of such interactions. We uncover a specific …

Control of charge transport in electronically active systems towards integrated biomolecular circuits (IbC)

R Dumont, J Dowdell, J Song, J Li, S Wang… - Journal of Materials …, 2023 - pubs.rsc.org
The miniaturization of traditional silicon-based electronics will soon reach its limitation as
quantum tunneling and heat become serious problems at the several-nanometer scale …

Three-dimensional attosecond resonant stimulated X-ray Raman spectroscopy of electronic excitations in core-ionized glycine

Y Zhang, JD Biggs, W Hua, KE Dorfman… - Physical Chemistry …, 2014 - pubs.rsc.org
We investigate computationally the valence electronic excitations of the amino acid glycine
prepared by a sudden nitrogen core ionization induced by an attosecond X-ray pump pulse …

Ultrafast electron transfer in the recognition of different DNA sequences by a DNA-binding protein with different dynamical conformations

T Mondol, S Batabyal, SK Pal - Journal of Biomolecular Structure …, 2012 - Taylor & Francis
Ultrafast electron transfer (ET) phenomenon in protein and protein–DNA complex is very
much crucial and often leads to the regulation of various kinds of redox reactions in …

Protective activity of beta-1, 3-glucan binding protein against AAPH induced oxidative stress in Saccharomyces cerevisiae

A Iswarya, M Anjugam, S Shanthini… - International journal of …, 2019 - Elsevier
The present work aimed to evaluate the antioxidant efficacy of beta-1, 3-glucan
binding/recognition protein against oxidative stress-induced Saccharomyces cerevisiae …

Is MD geometry sampling sufficient for nucleobase electronic structure analysis of ET reactions? Comparing classical MD and QM/MM methods

S Keinan, R Venkatramani, A Balaeff… - The Journal of …, 2010 - ACS Publications
It has been shown in many experimental studies that one of the major charge-transfer
mechanisms in nucleic acids is that by positive charge carriers (holes), residing …