Assessing CO₂ Adsorption Behavior onto Free-Standing, Flexible Organic Framework-PVDF Composite Membrane: An Empirical Modeling and Validation of an Experimental Data Set

Covalent organic framework (COF) materials have greatly expanded their range in a variety of applications since the cognitive goal of a highly organized and durable adsorbent is quite rational. The characteristics of a conjugated organic framework are combined with an industrially relevant polymer to produce a composite membrane optimized for selectively adsorbing carbon dioxide (CO2) gas across a wide temperature range. Additionally, treatment of the composite membrane with cold atmospheric plasma (CAP) that specifically enhanced the parent membrane’s surface area by 36% is established. Following CAP treatment, the membrane accelerates the CO2 uptake by as much as 66%. This is primarily due to a Lewis acid–base interaction between the electron-deficient carbon atom of CO2 and the newly acquired functionalities on the COFs@PVDF membrane’s surface. In particular, the C–N bonds, which appear to be a higher electron density site, play a key role in this interaction. Moreover, the empirical model proposed here has confirmed CO2 adsorption phenomena in the COF@PVDF composite membrane, which closely matches the findings from the experimental data set under designated operating conditions. As a result, the current study may pave the way for future design work as well as refine the covalent framework polymer composite membrane’s features, revealing a more sophisticated approach to addressing CO2 capture problems

Molecular Property Diagnostic Suite - Covid-19

<p>Molecular Property Diagnostic Suite (MPDS) is a Galaxy based web portal which was conceived and developed as a disease specific web portal, originally developed for tuberculosis (MPDSTB). The MPDS suites of programs have modules which are essentially independent of a given disease, whereas some modules are specific to a particular disease. In the MPDSCOVID-19 portal, there are modules which are specific to COVID-19, and these are clubbed in SARS-COV-2 disease library. The disease independent modules include file format converter and descriptor calculation under the data processing module; QSAR, pharmacophore, scaffold analysis, active site analysis, docking, screening, drug repurposing tool, virtual screening, visualisation, sequence alignment, phylogenetic analysis under the data analysis module; and various machine learning packages, algorithms and in-house developed machine learning antiviral prediction model are available. The MPDSCOVID-19 can be accessed at <a href="http://mpds.neist.res.in:8085">https://mpds.neist.res.in:8085</a>.</p><p>The data uploaded here are in the form as they were curated. They appear in the SARS-Cov-2 Library of the MPDS Covid-19 Portal.</p&gt

Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal

Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDSCOVID-19 was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDSCOVID-19 effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDSCOVID-19 provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDSCOVID-19 using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development. Availability & Implementation The MPDSCOVID-19 portal can be accessed at https://mpds.neist.res.in:8085/

Drosophila dosage compensation: Males are from Mars, females are from Venus

Dosage compensation of X-linked genes is a phenomenon of concerted, chromosome-wide regulation of gene expression underpinned by sustained and tightly regulated histone modifications and chromatin remodeling, coupled with constrains of nuclear architecture. This elaborate process allows the accomplishment of regulated expression of genes on the single male X chromosome to levels comparable to those expressed from the two X chromosomes in females. The ribonucleoprotein Male Specific Lethal (MSL) complex is enriched on the male X chromosome and is intricately involved in this process in Drosophila melanogaster. In this review we discuss the recent advances that highlight the complexity lying behind regulation of gene expression by just 2-fold