MORE-Q, a dataset for molecular olfactorial receptor engineering by quantum mechanics.

We introduce the MORE-Q dataset, a quantum-mechanical (QM) dataset encompassing the structural and electronic data of non-covalent molecular sensors formed by combining 18 mucin-derived olfactorial receptors with 102 body odor volatilome (BOV) molecules. To have a better understanding of their intra- and inter-molecular interactions, we have performed accurate QM calculations in different stages of the sensor design and, accordingly, MORE-Q splits into three subsets: i) MORE-Q-G1: QM data of 18 receptors and 102 BOV molecules, ii) MORE-Q-G2: QM data of 23,838 BOV-receptor configurations, and iii) MORE-Q-G3: QM data of 1,836 BOV-receptor-graphene systems. Each subset involves geometries optimized using GFN2-xTB with D4 dispersion correction and up to 39 physicochemical properties, including global and local properties as well as binding features, all computed at the tightly converged PBE+D3 level of theory.

Hippocampal Granule Cells Downregulate Their GABAergic Phenotype and Deactivate Its Activity-Dependent Reinduction in Culture Conditions.

Hippocampal granule cells express GABAergic and glutamatergic phenotype markers during development; hence, they corelease GABA and glutamate. In the adult, the GABAergic phenotype is switched off; however, increased excitability upregulates the GABAergic phenotype and thus, granule cells corelease glutamate and GABA. Previous work shows that short-term cultures (24 h) of dissociated granule cells prepared from adult rats, which do not express GAD or VGAT, can express these markers when exposed to kainic acid and BDNF.

Muskelin is a substrate adaptor of the highly regulated Drosophila embryonic CTLH E3 ligase.

The maternal-to-zygotic transition (MZT) is a conserved developmental process where the maternally-derived protein and mRNA cache is replaced with newly made zygotic gene products. We have previously shown that in Drosophila the deposited RNA-binding proteins ME31B, Cup, and Trailer Hitch are ubiquitylated by the CTLH E3 ligase and cleared. However, the organization and regulation of the CTLH complex remain poorly understood in flies because Drosophila lacks an identifiable substrate adaptor, and the mechanisms restricting the degradation of ME31B and its cofactors to the MZT are unknown.

Phenol-free in-house kit for RNA extraction with applicability to SARS-CoV-2 genomic sequencing studies: A contribution to biotechnological sovereignty in Colombia.

During the COVID-19 pandemic, reagents for SARS-CoV-2 detection were scarce or sold at high prices, particularly in Latin America. In this study, a significant step towards self-sufficiency was achieved through the development of an in-house extraction kit for detecting SARS-CoV-2 from nasopharyngeal swab samples. The purity and concentration of the RNA extracted using the in-house kit were compared to those obtained using the GeneJET RNA Purification Kit (Thermo-Scientific®) as a reference.

Validation of nonhome discharge risk score after elective infrainguinal bypass surgery.

Objective: Nonhome discharge (NHD) contributes to poor patient quality of life and health care costs. Prior Vascular Study Group of New England database-based analysis developed a novel risk score for NHD after infrainguinal lower extremity bypass (LEB). Still, it has yet to be validated in an external dataset.