Related papers: Quantum coherent contributions in biological elect…
Phosphorylation is one of the most important protein modifications, and electron-transfer dissociation tandem mass spectrometry (ETD-MS/MS) is a potentially useful method for the sequencing of phosphopeptides, including determination of the…
In molecular crystals like MePTCDI and PTCDA the molecule are regularly arranged creating quasi-one-dimensional molecular stacks. The intermolecular distance in a stack (about 3.3 A) is comparable with the electron--hole distance in the…
We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna-Matthews-Olson (FMO) pigment-protein complex, using the new developed modified scaled hierarchical approach [Shi Q. et al, J Chem Phys…
Epithelial-Mesenchymal Transition (EMT), and the corresponding reverse process, Mesenchymal-Epithelial Transition (MET), are dynamic and reversible cellular programs orchestrated by many changes at biochemical and morphological levels. A…
We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…
Photosynthetic antenna complexes capture and concentrate solar radiation by transferring the excitation to the reaction center which stores energy from the photon in chemical bonds. This process occurs with near-perfect quantum efficiency.…
The transient behaviour of organic electrochemical transistors (OECT) is complex due to mixed ionic-electronic properties that play a central role in bioelectronics, sensing and neuromorphic applications. We investigate the impedance…
A three-body semiclassical model is proposed to describe the nucleon transfer and emission reactions in a heavy-ion collision. In this model the two heavy particles, i.e. nuclear cores A$_1(Z_{A_1}, M_{A_1})$ and A$_2(Z_{A_2}, M_{A_2})$,…
We present an AI-integrated molecular communication link validated on a benchtop nanomachine testbed representative of subdermal implants. The system employs an indium-gallium-zinc-oxide electrolyte-gated FET (IGZO-EGFET) functionalized…
Proton-coupled electron transfer (PCET) is the underlying mechanism governing important reactions ranging from water splitting in photosynthesis to oxygen reduction in hydrogen fuel cells. The interplay of proton and electronic charge…
We calculate the rate of non-radiative, Forster-type energy transfer (ET) from an excited epitaxial quantum well (QW) to a proximal monolayer of semiconductor nanocrystal quantum dots (QDs). Different electron-hole configurations in the QW…
It has been observed in fossil tracks and experiments in the layered silicate mica muscovite the transport of charge through the cation layers sandwiched between the layers of tetrahedra-octahedra-tetrahedra. A classical model for the…
We present a general analytical formula and an ab initio study of quantum interference in multi-branch molecules. Ab initio calculations are used to investigate quantum interference in a benzene-1,2-dithiolate (BDT) molecule sandwiched…
The dynamics of the charge equilibration (CE) and the effects on the production of the neutron-rich isotopes around $N = 126$ in multinucleon transfer reactions are still not well understood. In this Letter, we investigate the mechanism of…
A short review of correlated electrons in molecular systems has been performed. Main attention has been focussed on ET salts, which are the d=2 systems. They show the Mott transition in high temperatures and the transition from the…
The structure of Fenna-Matthews-Olson (FMO) light-harvesting complex has long been recognized as containing seven bacteriochlorophyll (BChl) molecules. Recently, an additional BChl molecule was discovered in the crystal structure of the FMO…
Transition metal ions play crucial roles in the structure and function of numerous proteins, contributing to essential biological processes such as catalysis, electron transfer, and oxygen binding. However, accurately modeling the…
We present numerically exact results for the quantum coherent energy transfer in the Fenna-Matthews-Olson molecular aggregate under realistic physiological conditions, including vibrational fluctuations of the protein and the pigments for…
Resonance energy transfer has become an indispensable experimental tool for single-molecule and single-cell biophysics. Its physical underpinnings, however, are subtle: It involves a discrete jump of excitation from one molecule to another,…
Nonadiabatic effects in chemical reaction at metal surfaces, due to excitation of electron-hole pairs, stand at the frontier of the studies of gas-surface reaction dynamics. However, the first principles description of electronic excitation…