Browse Articles

DFT insights into humic acid coordination of Cd(II) Cu(II) and Pb(II)

Abstract This study used Density Functional Theory (DFT) at the B3LYP/6-31G(d, p) level to develop a model for humic acid (HA), characterizing it as an organic molecule with functional groups featuring hydrogen bonding. The calculated Infrared (IR) spectrum of the HA model matched experimental results from Fourier-Transform Infrared (FTIR) spectroscopy. Analysis using Molecular Electrostatic Potential (MESP) maps and Highest Occupied/Lowest Unoccupied Molecular Orbitals (HOMO/LUMO) suggested that HA could be simplified to a reactive R-COOH (carboxylic acid) model. A computational comparison between B3LYP/6-31G(d, p), MP2, and the semi-empirical PM6 method found that PM6 was suitable for studying the R-COOH model, offering a balance of accuracy and computational efficiency. The coordinating ability of the divalent metals Cd, Cu, and Pb was investigated, showing they can coordinate with two R-COOH units. Cu and Pb were found to be more reactive than the coordinated Cd. Further simulations, where each metal was hydrated with four water molecules, revealed that the hydrated coordinated metals were more reactive than their non-hydrated counterparts. A general model for metal/HA coordination was explored by interacting hydrated Cu with two full HA units. It was concluded that HA is a useful agent for coordinating divalent metals in aquatic environments. However, the Quantum Theory of Atoms in Molecules (QTAIM) analysis indicated that this coordination process might negatively affect the HA’s stability and environmental degradation.

Low intensity vibration with zoledronate reduces musculoskeletal weakness and adiposity in estrogen deprived female mice

Knowledge of cardiovascular diseases among university students in Egypt

Abstract Cardiovascular diseases (CVDs) are the leading cause of death worldwide. Promoting early awareness and understanding of modifiable risk factors among young people is crucial for prevention. Yet, little is known about the level of awareness among university students in Egypt. This study aimed to evaluate university students’ knowledge of cardiovascular diseases (CVDs) and their associated risk factors, with a focus on general awareness, scientific understanding, and behavioral responses related to cardiovascular health. A cross-sectional analytical study was carried out among 300 university students using a pre-validated English questionnaire administered through Google forms. Participants were recruited from seven faculties at Pharos University. The questionnaire evaluated students’ knowledge of CVD risk factors and their overall awareness of cardiovascular conditions. The study revealed significantly higher knowledge scores among female participants (15.3 ± 2.6) compared to males (13.8 ± 4.0), ( p  = 0.007). The Faculty of Dentistry had the highest mean knowledge score (15.6 ± 3.1), with a significant decline in knowledge observed among students from applied sciences and engineering/arts ( p  = 0.04 and 0.002, respectively). While no significant differences were found between dentistry, pharmacy, or physical education students. Higher academic grades generally had better CVD knowledge compared to first-year students (12.6 ± 3.7), ( p  = 0.04). Furthermore, high awareness was noted in several areas, including the role of blood pressure control (87.6%), physical activity (85.1%), obesity (85.6%), smoking (90%), and aging (89.6%) in CVD risk. Moderate awareness was observed for family history (75.1%), blood sugar control (70.1%), and myocardial oxygen supply (70.6%). However, low awareness was noted regarding the role of HDL cholesterol (45.8%) and the effect of fatty foods on cholesterol (23.9%). Although university students showed a generally good awareness of major cardiovascular risk factors, notable knowledge gaps persisted—especially regarding dietary fats and cholesterol types. These results highlight the importance of implementing targeted educational programs to improve cardiovascular health awareness among young adults in Egypt.

Observation of strong spin-orbit couplings in plasmonic spin-twistronics topological lattices

Exploring the chicken respiratory microbiome: a comprehensive meta-analysis of factors shaping chicken respiratory microbiota

A Glial Hub-and-Spoke Circuitry in C. elegans orchestrates bidirectional thermosensation

Effect of Solanum rostratum Dunal litter extract on its seedling growth

Quantum Hall effect at 0.002 T in graphene

Reciprocal cooperative gating fusion of SqueezeNet and ShuffleNetV2 for breast cancer detection in histopathology images

Air quality improvement masks global cooling from CO2 reductions under China’s carbon neutrality policies for half a century

A dual context-aware basecaller for nanopore direct RNA sequencing

Phospholipid composition strongly affects the assembly of β barrel proteins into purified bacterial outer membranes

Abstract Virtually all integral outer membrane proteins (OMPs) produced by Gram-negative bacteria contain a unique ‘β barrel’ structure that serves as a membrane spanning domain. The universal b arrel a ssembly m achine (BAM) catalyzes OMP assembly (folding and membrane insertion) in vivo, and purified Escherichia coli BAM that is reconstituted into proteoliposomes catalyzes OMP assembly in vitro. Here we show that BAM also catalyzes the assembly of OMPs into outer membrane fractions (‘native OMs’) that are purified by optimized conventional methods. Interestingly, we found that OMP assembly was moderately impaired when native OMs were isolated from a mlaA - strain that is deficient in maintaining OM lipid homeostasis but was strongly reduced when native OMs were isolated from a pldA - strain that is deficient in a parallel pathway. We also found that the mlaA and pldA deletions altered the OM phospholipid profile to different degrees that correlated with the degree to which the mutations impaired OMP assembly. Taken together, our results provide direct evidence that the mla and pldA pathways play distinct roles in maintaining OM homeostasis and strongly suggest that OM phospholipids play a more significant role in OMP biogenesis than previously appreciated.

Versican expression from lung fibroblasts suppresses pulmonary fibrosis

Iso-orientation bias of layer 2/3 connections unifies spontaneous, visually and optogenetically driven V1 dynamics

Abstract Functionally specific long-range lateral connectivity in layer 2/3 of the adult primary visual cortex (V1) supports the integration of visual information across visual space and shapes spontaneous, visual and optogenetically driven V1 activity. However, a comprehensive understanding of how these diverse cortical regimes emerge from this underlying cortical circuitry remains elusive. Here we address this gap by showing how the same model assuming moderately iso-orientation biased long-range cortical connectivity architecture explains diverse phenomena, including (i) range of visually driven phenomena, (ii) modular spontaneous activity, (iii) the propagation of spontaneous cortical waves, and (iv) neural responses to patterned optogenetic stimulation. The model offers testable predictions, including presence of slower and iso-tropic spontaneous wave propagation in layer 4 and non-monotonicity of optogenetically driven cortical response to increasingly larger disk of illumination. We thus offer a holistic framework for studying how cortical circuitry governs information integration across multiple operating regimes.

Flexible light-emitting diodes with EQE approaching 26.4% from horizontal dipole-oriented metal nanoclusters

Strain-induced two-dimensional topological crystalline insulator in bilayer SnTe

Electrochemical C–N coupling via adsorption modulation: selective synthesis of amines from biomass-derived 5-hydroxymethylfurfural

From TDP-43/RNA complex formation to disease-linked TDP-43 aggregation through a structural and cellular approach

Abstract Many RNA-binding proteins (RBP) have been associated to several neurodegenerative diseases for which RBP-rich cytoplasmic inclusions represent a major histological hallmark. However, among RBPs, the occurrence with which TDP-43, a nuclear mRNA-binding protein, is detected in cytoplasmic inclusions is exceptionally high. To unravel the underlying mechanisms, we focus our analysis on the structured N-terminal domain (NTD) of TDP-43, which is distinct among RBPs as this domain mostly initiates TDP-43 homotypic interactions. Through an in depth structural analysis, we successively show that the cooperative binding of TDP-43 along long GU-rich intronic sequences antagonizes NTD/NTD interactions between adjacent TDP-43 along mRNA. In contrast, the TDP-43 cooperativity facilitates NTD/NTD interactions between TDP-43 located on distinct GU-rich sequences. We hypothesize that NTD/NTD interactions between distinct GU-rich sequences efficiently allow the compaction of long introns in neurons under physiological conditions. However, when the binding of TDP-43 to RNA is discontinuous because of a lack of cooperativity, aberrant NTD/NTD interactions between adjacent TDP-43 take place, promoting the aggregation of TDP-43 RRMs (RNA Recognition Motifs) under stress conditions. Altogether, we provide a detailed view of the physiological assembly of TDP-43 on introns and the putative weaknesses of TDP-43 that makes it distinct in its propensity for aggregation compared to other RBPs.

SAMSN1 restrains NK cell mediated anti-tumor immunity in hepatocellular carcinoma

PURE-seq integrates FACS and PIP-seq for single-cell genomics of ultra-rare cells

Abstract Single-cell transcriptomics is valuable for uncovering individual cell properties, particularly in heterogeneous systems. However, this technique often results in the reanalysis of many well-characterized cells, increasing costs and diluting rare cell populations. To address this, we develop PIP-seq for Rare-cell Enrichment and Sequencing (PURE-seq). PURE-seq allows direct FACS sorting of cells into PIP-seq reactions, minimizing handling and reducing cell loss. PURE-seq reliably sequences ultrarare cells, with 1 hour of sorting capturing tens of target cells at a rarity of 1 in 1,000,000. Leveraging this extreme sensitivity, we use PURE-seq to isolate and single-cell sequence circulating tumor cells from metastatic melanoma patient blood, obtaining detailed single cancer cell gene expression profiles. Additionally, we use PURE-seq to examine hematopoietic stem and progenitor cells from young, old and middle-aged mice. Transcriptomic analysis identifies Egr1 as a putative master regulator of murine hematopoietic stem and progenitor cell aging, demonstrating PURE-seq’s utility as a discovery platform for basic science applications. PURE-seq offers a simple and highly sensitive method for single-cell sequencing ultra-rare cells.