Stepwise Excited-State Intramolecular Double Proton Transfer in 1,8-Dihydroxynaphthalene-2,7-dicarbaldehyde.

We theoretically investigate the salient features of stepwise excited-state intramolecular double proton transfer (ESIDPT) in 1,8-dihydroxynaphthalene-2,7-dicarbaldehyde (DHDA). Surface trajectory simulations using the TD-B3LYP/6-31G(d) level of theory reveal that the proton transfer primarily happens via S, wherein about ∼42% of trajectories (40 out of 95) show the single proton transfer alone and another ∼32% (30 out of 95) show double proton transfer. The average time scale for the single proton transfer originating from those ∼42% trajectories is ∼147 fs.

Improved meta-analysis pipeline ameliorates distinctive gene regulators of diabetic vasculopathy in human endothelial cell (hECs) RNA-Seq data.

Enormous gene expression data generated through next-generation sequencing (NGS) technologies are accessible to the scientific community via public repositories. The data harboured in these repositories are foundational for data integrative studies enabling large-scale data analysis whose potential is yet to be fully realized. Prudent integration of individual gene expression data i.

Experiences of stigma, psychological distress, and facilitative coping among pregnant people with gestational diabetes mellitus.

Background: Gestational diabetes mellitus (GDM) has been rising in the United States, and it poses significant health risks to pregnant individuals and their infants. Prior research has shown that individuals with GDM also experience prevalent stress and mental health issues, which can further contribute to glucose regulation difficulties. Stigma associated with GDM may contribute to these mental health challenges, yet there is a lack of focused research on GDM-related stigma, its impact on psychological health, and effective coping mechanisms.

A scoping review on deep learning for next-generation RNA-Seq. data analysis.

In the last decade, transcriptome research adopting next-generation sequencing (NGS) technologies has gathered incredible momentum amongst functional genomics scientists, particularly amongst clinical/biomedical research groups. The progressive enfoldment/adoption of NGS technologies has incited an abundance of next-generation transcriptomic data harbouring an opulence of new knowledge in public databases. Nevertheless, knowledge discovery from these next-generation RNA-Seq.

Improved downstream functional analysis of single-cell RNA-sequence data using DGAN.

The dramatic increase in the number of single-cell RNA-sequence (scRNA-seq) investigations is indeed an endorsement of the new-fangled proficiencies of next generation sequencing technologies that facilitate the accurate measurement of tens of thousands of RNA expression levels at the cellular resolution. Nevertheless, missing values of RNA amplification persist and remain as a significant computational challenge, as these data omission induce further noise in their respective cellular data and ultimately impede downstream functional analysis of scRNA-seq data. Consequently, it turns imperative to develop robust and efficient scRNA-seq data imputation methods for improved downstream functional analysis outcomes.

Adverse Event Following Immunization (AEFI) in Children: An Analysis of Reporting in VigiAccess.

Introduction: It is an indubitable fact that vaccination has been instrumental in the eradication and prevention of the deadliest diseases worldwide. Continuous vaccine safety surveillance is helpful to counter the negative perception and thus allay the fear of Adverse Events Following Immunization (AEFI) in the general public. VigiAccess, the WHO global database of reported side effects of medicinal products, can be accessed by the public at large.

Theoretical approach to modeling the early nonadiabatic events of ESIPT originating from three-state conical intersection in quinophthalone.

We explore the excited-state intramolecular proton transfer process of quinophthalone theoretically. This molecule possesses three low-lying singlet excited states ([Formula: see text] and [Formula: see text]) in a narrow energy gap of less than the N-H stretching frequency. Dynamics simulations show nonadiabatic wavepacket transfer to [Formula: see text] and [Formula: see text] upon initiating the wavepacket on [Formula: see text].