Simulating Ionized States in Realistic Chemical Environments with Algebraic Diagrammatic Construction Theory and Polarizable Embedding.

Theoretical simulations of electron detachment processes are vital for understanding chemical redox reactions, semiconductor and electrochemical properties, and high-energy radiation damage. However, accurate calculations of ionized electronic states are very challenging due to their open-shell nature, importance of electron correlation effects, and strong interactions with chemical environment. In this work, we present an efficient approach based on algebraic diagrammatic construction theory with polarizable embedding that allows to accurately simulate ionized electronic states in condensed-phase or biochemical environments (PE-IP-ADC).

Differences in maternal diet fiber content influence patterns of gene expression and chromatin accessibility in fetuses and piglets.

This study investigates the impact of maternal gestation diets with varying fiber contents on gene expression and chromatin accessibility in fetuses and piglets fed a low fiber diet post weaning. High-fiber maternal diets, enriched with sugar beet pulp or pea internal fiber, were compared to a low-fiber maternal diet to evaluate their effects on liver and muscle tissues. The findings demonstrate that maternal high-fiber diets significantly alter chromatin accessibility, predicted transcription factor activity and transcriptional landscape in both fetuses and piglets.

[Neurology: what's new in 2024].

In 2024, therapeutic and diagnostic advancements are shaping the field of neurology. Three new drugs show promise for treating myasthenia gravis and chronic inflammatory demyelinating polyneuropathy. A new classification for Parkinson's disease has been proposed, while a neuroprosthesis is improving gait in advanced stages.

Ultra-robust Single-Ion Conducting Composite Electrolytes for Stable Li-Metal Batteries.

With significantly high lithium-ion (Li) transport efficiency, single-ion conducting polymer electrolytes (SIPEs) often suffer from low ionic conductivity due to the covalently bonded anions to the polymer backbone. Adding plasticizers to SIPEs to improve ionic conductivity usually reduces the polymer matrix's mechanical robustness, negatively affecting overall performance as solid electrolytes. Herein, to surpass such a trade-off relationship, we successfully designed a single-ion conducting composite membrane (c-SIPM60) with cross-linked linear SIPEs and incorporated glass-mesh substrate, which shows a cation transport number close to 1, ultrahigh tensile strength of 22 MPa (modulus of 547.

Advances in assessment and cognitive neurorehabilitation of HIV-related neurocognitive impairment.

Neurocognitive impairment (NCI) is present in around 40% of people with HIV and substantially affects everyday life, adherence to combined antiretroviral therapy (cART) and overall life expectancy. Suboptimal therapy regimen, opportunistic infections, substance abuse and highly prevalent psychiatric co-morbidities contribute to NCI in people with HIV. In this review, we highlight the need for efficacious treatment of HIV-related NCI through pharmacological approaches and cognitive neurorehabilitation, discussing recent randomized controlled trials in this domain.