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Identifying the driving forces and the mechanism of association of huntingtin-exon1, a close marker for the progress of Huntington's disease, is an important prerequisite towards finding potential drug targets, and ultimately a cure. We…
Huntington's disease (HD) is an inherited neurodegenerative disorder caused by an expanded CAG repeat in the coding sequence of the huntingtin protein. Initially, it predominantly affects medium-sized spiny neurons (MSSNs) of the corpus…
Disease-causing mutations usually change the interacting partners of mutant proteins. In this article, we propose that the biological consequences of mutation are directly related to the alteration of corresponding protein protein…
The presence of an expanded polyglutamine produces a toxic gain of function in huntingtin. Protein aggregation resulting from this gain of function is likely to be the cause of neuronal death. Two main mechanisms of aggregation have been…
Exciton transport in molecular aggregates is a fundamental process governing the performance of organic optoelectronics and light-harvesting systems. While most theoretical studies have emphasized long-time transport behavior, recent…
Exciton effects on conjugated polymers are investigated in the soliton lattice system. We use the Su-Schrieffer-Heeger model with long-range Coulomb interactions treated by the single-excitation configuration-interaction method. The soliton…
Small angle X-ray scattering (SAXS) studies in poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) with varying conjugation, and polyethylene dioxythiophene complexed with polystyrene sulfonate (PEDOT-PSS) in different…
Exciton effects on conjugated polymers and the resulting optical nonlinearities are investigated in soliton lattice states. We use the Su-Schrieffer-Heeger model with long-range Coulomb interactions for electrons. The third-harmonic…
To study excitonic effects on high-harmonic generation (HHG) in Mott insulators, we investigate pumped nonequilibrium dynamics in the one-dimensional extended Hubbard model. By employing time-dependent calculations based on the exact…
Within the picture of jet quenching induced by multiple parton scattering and gluon bremsstrahlung, medium modification of parton fragmentation functions and therefore the suppression of large transverse momentum hadron spectra are…
The dynamics of pigment-pigment and pigment-protein interactions in light-harvesting complexes is studied with a novel approach which combines molecular dynamics (MD) simulations with quantum chemistry (QC) calculations. The MD simulations…
Huntington's disease (HD) is an autosomal dominant neurodegenerative disorder characterized by motor dysfunction, psychiatric disturbances, and cognitive decline. The onset of HD is marked by severe motor impairment, which may be predicted…
Modeling of polymer oxidative aging has been actively studied since the 1990s. Insights from these studies suggest that the transport of oxygen and radicals significantly influences aging heterogeneity, alongside chemical reaction kinetics.…
Self-assembled aggregates of pigment molecules are potential building blocks for excitonic circuits that find their application in energy conversion and optical signal processing. Recent experimental studies of one-dimensional…
We consider an evolutionary PDE system coupling the Cahn-Hilliard equation with singular potential, mass source and transport effects, to a Brinkman-type relation for the macroscopic velocity field and to a further equation describing the…
Understanding the properties of the quark-gluon plasma (QGP) offers insights into the strong interaction and the conditions of the early universe.Since the QGP cannot be observed directly, its properties must be inferred from the particles…
Motivated by single molecule experiments on biopolymers we explore equilibrium morphologies and force-extension behavior of copolymers with hydrophobic segments using Langevin dynamics simulations. We find that the interplay between…
Two-dimensional infrared spectroscopy experiments have presented new results regarding the dynamics of the hydrated excess proton (aka <q>hydronium</q> cation solvated in water). It has been suggested by these experiments that the hydrated…
We made use high-cadence observations from the $Insight$-HXMT and $NICER$ to scrutinize the spectral and timing evolution during the 2018 outburst of the black hole X-ray binary (BHXRB) MAXI J1820+070. It's hardness-intensity diagram (HID)…
Exciton effects on conjugated polymers are investigated in soliton lattice states. We use the Su-Schrieffer-Heeger model with long-range Coulomb interactions. The Hartree-Fock (HF) approximation and the single-excitation configuration-…