Results 51 to 60 of about 5,216,810 (303)

A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction [PDF]

open access: yes, 2019
A balanced description of ground and excited states is essential for the description of many chemical processes. However, few methods can handle cases where static correlation is present, and often these scale very unfavourably with system size. Recently,
Alex, Thom, Hugh G. A., Burton
core   +1 more source

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

open access: yesFEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Diversity and complexity in neural organoids

open access: yesFEBS Letters, EarlyView.
Neural organoid research aims to expand genetic diversity on one side and increase tissue complexity on the other. Chimeroids integrate multiple donor genomes within single organoids. Self‐organising multi‐identity organoids, exogenous cell seeding, or enforced assembly of region‐specific organoids contribute to tissue complexity.
Ilaria Chiaradia, Madeline A. Lancaster
wiley   +1 more source

Some applications of excited-state-excited-state transition densities [PDF]

open access: yesPhysical Review A, 1975
We derive an approximation for transition moments between excited states consistent with the approximations and assumptions normally used to obtain transition moments betwen the ground and excited states in the random-phase approximation and its higher-order approximations. We apply the result to the calculation of the photoionization cross sections of
Yeager, D. L.   +2 more
openaire   +2 more sources

Salmonella lipopolysaccharide‐containing supported lipid bilayers as platforms to study bacteriophage interactions

open access: yesFEBS Letters, EarlyView.
We present robust protocols for the preparation of supported lipid bilayers (SLBs) incorporating either Salmonella smooth LPS or outer membrane vesicles (OMVs). We use a combination of quartz crystal microbalance with dissipation (QCM‐D) and fluorescence microscopy to both characterize the SLBs of various compositions and to probe their interactions ...
Hudson P. Pace   +6 more
wiley   +1 more source

Engineering peptides into antibodies—opportunities and strategies for therapeutic innovation

open access: yesFEBS Letters, EarlyView.
Peptides and antibodies occupy complementary therapeutic niches. Peptides recognize difficult targets in a compact format, while antibodies add specificity, long half‐life, and effector functions. This review examines strategies that merge both modalities—peptide grafting into loops, terminal and Fc fusions, and bioconjugation—highlighting how ...
Jinling Wang   +2 more
wiley   +1 more source

Asymptotic critical behavior of holographic superconductor phase transition — the spectrum of excited states becomes continuous at T = 0

open access: yesJournal of High Energy Physics, 2022
Within the framework of AdS/CFT duality, excited states of the conformal field living at the global AdS boundary of a four-dimensional spacetime Einstein gravity are investigated analytically in the probe limit where the field equations are linearized ...
Toan T. Nguyen, Tran Huu Phat
doaj   +1 more source

Multi-State Density Functional Theory for Ground and Excited States [PDF]

open access: yes, 2021
We report a rigorous formulation of multi-state density functional theory (MSDFT) that extends the Kohn-Sham (KS) energy functional for the ground state to a Hamiltonian matrix functional H[D] of the density matrix D in the space spanned by the lowest N ...
Jiali, Gao, Yangyi, Lu
core   +1 more source

Autophagy and mitophagy in pancreatic β‐cell homeostasis and their involvement in diabetes pathophysiology

open access: yesFEBS Letters, EarlyView.
This review focuses on the role of autophagy and mitophagy in maintaining pancreatic β‐cell function and homeostasis. We discuss how genetic defects affecting these pathways contribute to the development of type 1, type 2, monogenic, and gestational diabetes. We further explore their potential as therapeutic targets. Created in BioRender.
Yunkyeong Lee   +2 more
wiley   +1 more source

Excited-State Diffusion Monte Carlo Calculations: A Simple and Efficient Two-Determinant Ansatz [PDF]

open access: yes, 2018
We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a configuration ...
Blunt, Nick S   +5 more
core   +1 more source

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