相关论文: Towards Structure-Property-Function Relationships …

The cell nucleus is increasingly recognized as a mechanosensitive organelle whose mesoscale mechanical heterogeneity (100 nm 10 um) is inseparable from genome regulation yet remains weakly integrated into systems biology and omics…

The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques able to accurately predict spectral properties. In this work we employ Koopmans-compliant functionals, constructed to…

There are many experimental data indicating the correlations of the changes in high level of organization of chromatin in human cells and changes in the state of the whole organism related to disease, state of tiredness or aging. In our…

Along with recent progress in structural biology and genome biology, structural dynamics of molecular systems including nucleic acids has attracted attention in the context of gene regulation. Structure-function relationship is an important…

Inorganic glasses, produced by the melt-quenching of a concoction of minerals, compounds, and elements, can possess unique optical and elastic properties along with excellent chemical, and thermal durability. Despite the ubiquitous use of…

We investigate the resonant quantum dynamics of a laser-pumped real or artificial two-level single-atom system embedded in a leaking microcavity. We found that for stronger laser-atom-cavity couplings the generated microcavity photons…

The cell wall serves as a mechanical protection for the fungi and controls the traffic of molecules entering the cell. However, the optical role of the cell wall has not been fully investigated. In this work, we use a computational…

Pump-probe microscopy of melanin in tumors has been proposed to improve diagnosis of malignant melanoma, based on the hypothesis that aggressive cancers disaggregate melanin structure. However, measured signals of melanin are complex…

Spectral functions play a central role in the characterization of a wide range of physical systems, including strongly interacting quantum field theories and many-body systems. Their non-perturbative determination from Euclidean correlation…

Relationships are obtained connecting the two-nucleon overlap function of the eigenstates in the (A-2) particle system with the asymptotic behavior of the two-body density matrix for the ground state of the A-particle system.This makes it…

The dynamic interplay between collective cell movement and the various molecules involved in the accompanying cell signalling mechanisms plays a crucial role in many biological processes including normal tissue development and pathological…

The incidence of malignant melanoma continues to increase worldwide. This cancer can strike at any age; it is one of the leading causes of loss of life in young persons. Since this cancer is visible on the skin, it is potentially detectable…

We investigate the roles of non-Hermitian topology in spectral properties and entanglement structures of open systems. In terms of spectral theory, we give a unified understanding of two interpretations of non-Hermitian topology: quantum…

We report first principles density functional calculations for hydroquinone (HQ), indolequinone (IQ) and semiquinone (SQ). These molecules are believed to be the basic building blocks of the eumelanins, a class of bio-macromolecules with…

Molecular self-assembly, the function of biomembranes, and the performance of organic solar cells rely on molecular interactions on the nanoscale. The understanding and design of such intrinsic or engineered heterogeneous functional soft…

The state of chromatin in individual cells is directly related to the state of the whole organism and may be used for assessment of the state of the whole organism. Many hereditary diseases are connected with chromatin rearrangements.…

Melanoma spreads through metastasis, and therefore it has been proven to be very fatal. Statistical evidence has revealed that the majority of deaths resulting from skin cancer are as a result of melanoma. Further investigations have shown…

The photovoltaic reciprocity theory relates the electroluminescence spectrum of a solar cell under applied bias to the external photovoltaic quantum efficiency of the device as measured at short circuit conditions. Its derivation is based…

Even though the term `organic electronics' evokes rather organic devices, a significant part of its scope deals with physical properties of `active elements' such as organic films and interfaces. Examination of the film growth and the…

The determination of spectral properties from first principles can provide powerful connections between microscopic theoretical predictions and experimental data, but requires complex electronic-structure formulations that fall outside the…