Continuous Optimization of a Hierarchical Bayesian Network for Friedreich's Ataxia Severity Classification.

Machine learning algorithms for rare disorders, such as Friedreich's Ataxia (FRDA), often suffer from a lack of data. Therefore, the ability for continuous optimization of an objective assessment model would be very useful as a clinical decision support system. In this study, we propose a Bayesian Network(BN) system for FRDA severity estimation that incorporates a Bayesian Statistical updating system to continuously improve the predictive ability while providing an easily interpretable graphical model.

Antimicrobial hybrid coatings: A review on applications of nano ZnO based materials for biomedical applications.

The extreme survivability of infectious microorganisms on various surfaces prompts for the risk of disease transmissions, posing a perilous concern for global health. Thus, the treatment of these pathogenic microorganisms using the nanomaterials functionalized with antimicrobial coatings reaps relevant scope in the ongoing trend of research. Driven by their admirable biocompatibility, cost-effectiveness, and minimal toxicity, ZnO nanoparticles (ZnO-NPs) based antimicrobial hybrid coatings have emerged as a robust material to prevent the growth of infectious microorganisms on various surfaces, which in turn boosted their applications in the area of biomedical sciences.

STEAM: Spatial Transcriptomics Evaluation Algorithm and Metric for clustering performance.

Motivation: Spatial transcriptomic technologies allow researchers to explore the diversity and specificity of gene expression within their original tissue structure. Accurately identifying regions that are spatially coherent in both gene expression and physical tissue structures is an emerging topic, but challenging due to the lack of ground truth labels which renders complicating validation of clustering consistency and reproducibility. This highlights a need for a computational evaluation framework to rigorously and unbiasedly assess clustering performance.

Regulating the Dynamics of Interpenetrated Porous Frameworks for Inverse CH/CH Separation at Elevated Temperature.

Selective adsorption of ethane (CH) from mixtures containing ethylene (CH) is of interest for the direct production of high purity CH. However, the extremely similar molecular properties of these gases make this process challenging, particularly at elevated temperatures, an implication of saved energy consumption. To address such challenge, we present a new approach for regulating the temperature-dependent dynamics in hydrogen-bonded interpenetrated frameworks.

CellPhenoX: An eXplainable Cell-specific machine learning method to predict clinical Phenotypes using single-cell multi-omics.

Single-cell technologies have enhanced our knowledge of molecular and cellular heterogeneity underlying disease. As the scale of single-cell datasets expands, linking cell-level phenotypic alterations with clinical outcomes becomes increasingly challenging. To address this, we introduce CellPhenoX, an eXplainable machine learning method to identify cell-specific phenotypes that influence clinical outcomes.

Computational design of serine hydrolases.

The design of enzymes with complex active sites that mediate multistep reactions remains an outstanding challenge. With serine hydrolases as a model system, we combined the generative capabilities of RFdiffusion with an ensemble generation method for assessing active site preorganization to design enzymes starting from minimal active site descriptions. Experimental characterization revealed catalytic efficiencies (/) up to 2.

Relevance of plant growth-promoting bacteria in reducing the severity of tomato wilt caused by f. sp. by altering metabolites and related genes.

Among the biotic stresses, wilt disease severely affects tomato quality and productivity globally. The causal organism of this disease is f. sp.

Uncommon Presentation of Hip Pain Due to Calcific Tendonitis in the Rectus Femoris.

Introduction: Calcific tendonitis is characterized by calcium hydroxyapatite crystal deposition in tendons, leading to inflammation and pain. While predominantly observed in the rotator cuff tendons of the shoulder, its occurrence in the rectus femoris tendon of the hip is exceedingly rare and poses a diagnostic challenge.

Case Report: A 38-year-old female housewife presented with a 1-month history of left hip pain, which was dull, aching, and exacerbated by movements such as standing and walking.

A Chemically Robust Microporous Zn-MOF for CH Separation from CO and Industrially Relevant Four Component Gas Mixtures.

The separation and purification of acetylene from the light hydrocarbon gas mixtures is considered as one of the most industrially challenging task for the production of fine chemicals. Though metal-organic frameworks (MOFs) are promising candidates for such separation and offer a cost and energy-efficient pathway, achieving the trade-off between sorption capacity and separation selectivity along with framework robustness is a daunting task and demands effective design. Herein, a new 3D chemically stable MOF, IITKGP-24 (stable over a wide range of aqueous pH solution, pH = 2-12) is developed, displaying excellent separation selectivity of 13.

Comparing the release of growth factors when partially demineralized tooth matrix is mixed with platelet rich fibrin and injectable platelet rich fibrin: An observational study.

Context: Platelet concentrates are rich in growth factors that assist in regenerative medicine to promote healing and tissue regeneration. Similarly, partially demineralized tooth is a storehouse of many growth factors, assisting in bone regeneration. Hence, the present study aimed to quantify the release of growth factors from different platelet concentrates individually and when mixed with a partially demineralized tooth matrix.

Algae-synthesized cerium oxide nanoparticles for antibiotic degradation in water and subsequent bioenergy production.

Unlabelled: In the present study, CeO nanoparticles were synthesized using one-pot green route with high yield using microalgae The synthesized CeO nanoparticles (CeO-np) exhibited rapid photocatalytic degradation 98.2% of doxycycline (DC) (20 mg/L) in only 30 min under visible light at pH7 in water. It was encouraging that CeO-np did not demonstrate a loss of photocatalytic activity up to five repeated cycles, confirming its stability during the degradation process.

Harnessing the nutraceutical and therapeutic potential of spp.: current insights and future directions.

Apart from the culinary usage, Alliums are known for their therapeutic potential since antiquity. Alliums contain diverse bioactive compounds such as, sulfur-containing compounds (allicin, diallyl sulfides), flavonoids, and saponins. These compounds have demonstrated a wide range of pharmacological actions, including antioxidant, anticancer, anti-inflammatory, antimicrobial, neuroprotective, cardioprotective activities and treatment of metabolic disorders such as diabetes and hyperlipidemia.

Decoding early-onset of colorectal cancer: Insights into SERPINA3 expression patterns.

Early-onset colorectal cancer (EOCRC), recognized as a distinct subgroup with an increased incidence over the past two decades, characterized by its aggressive nature and potentially unique molecular factors that differentiate it from traditional colorectal cancer (CRC). In this study, we investigated differentially expressed genes in a young-CRC patient using paired-end mRNA-sequencing. Validation of target genes through qRT-PCR highlighted a significant increase in SERPINA3 levels in EOCRC, representing a novel finding.

The Role of the Plasminogen Activator Inhibitor 1 ( ) in Ovarian Cancer: Mechanisms and Therapeutic Implications.

Ovarian cancer (OC) is one among most significantly fatal gynecological cancers, with late-stage detection and an inadequate prognosis. Plasminogen activator inhibitor-1 ( ) gene anticipates negative outcomes in many different kinds of malignancies. Several research investigations are currently being done to examine the biological role of in OC and the possible benefits of targeted pharmacotherapies.

Milieu Management and Therapeutic Groups in Inpatient Child and Adolescent Psychiatry Units.

The therapeutic milieu has long been considered an essential mechanism of recovery for youth requiring inpatient psychiatric admissions. However, with increasing demand for crisis services, shrinking length of stay, rising patient acuity, and critical workforce shortages, innovation is necessary to maintain the goals of the therapeutic milieu (and equip the workforce to meet this challenge). This review surveys the evolution of the goals of milieu therapy over time, evidence for increasing challenges, and initial evidence for possible solutions.

Molecular dynamics simulations, essential dynamics and MMPBSA to evaluate natural compounds as potential inhibitors for AccD6, a key drug target in the fatty acid biosynthesis pathway in Mycobacterium tuberculosis.

Antibiotic resistance in Mycobacterium tuberculosis, the primary causative agent of the tuberculosis disease is an ever growing threat especially in developing and underdeveloped countries. Isoniazid is a commonly used first line anti-tuberculosis drug used during the first phase of tuberculosis treatment. However, due to its improper use, many strains of Mycobacterium tuberculosis have acquired resistance to the drug.

DGCNN approach links metagenome-derived taxon and functional information providing insight into global soil organic carbon.

Metagenomics can provide insight into the microbial taxa present in a sample and, through gene identification, the functional potential of the community. However, taxonomic and functional information are typically considered separately in downstream analyses. We develop interpretable machine learning (ML) approaches for modelling metagenomic data, combining the biological representation of species with their associated genetically encoded functions within models.

Impact of Plant Growth-Promoting Microorganism (PGPM) Consortium on Biochemical Properties and Yields of Tomato Under Drought Stress.

Drought is the most important abiotic stress that restricts the genetically predetermined yield potential of the crops. In the present study, four tomato varieties: Kashi Vishesh, Kashi Aman, Kashi Abhiman, and Kashi Amrit, were used to study the effect of PGPMs (plant growth-promoting microorganisms). PGPM strains, BHUPSB14, BHUPSB06, BHUPSB01, BHUPSB0, BHUPSB17, and , were used as the consortium.

Phylogenetically distant enzymes localized in cytosol and plastids drive citral biosynthesis in lemongrass.

Citral, a naturally occurring acyclic monoterpene aldehyde, is present in the essential oils of various plants, but only a few produce it in abundance. Despite its importance as a key aroma molecule, knowledge regarding the in-planta biosynthesis of citral and its metabolic origin remains limited. Here, we have elucidated the functions of an alcohol dehydrogenase (CfADH1) and an aldoketo-reductase (CfAKR2b) in citral biosynthesis in lemongrass (Cymbopogon flexuosus), one of the most cultivated aromatic crops for its citral-rich essential oil.

Modeling protein-small molecule conformational ensembles with ChemNet.

Modeling the conformational heterogeneity of protein-small molecule systems is an outstanding challenge. We reasoned that while residue level descriptions of biomolecules are efficient for de novo structure prediction, for probing heterogeneity of interactions with small molecules in the folded state an entirely atomic level description could have advantages in speed and generality. We developed a graph neural network called ChemNet trained to recapitulate correct atomic positions from partially corrupted input structures from the Cambridge Structural Database and the Protein Data Bank; the nodes of the graph are the atoms in the system.

Complete genome sequence of phage Perlina.

phage Perlina is a novel phage isolated on S10. Perlina encodes 112 open reading frames with typical phage structural genes identified and 3 tRNAs (tRNA-Ile, tRNA-Met, and tRNA-Asn). Few close relatives can be identified at the nucleotide level, suggesting a new phage species.

Phosphorylation at the D56 residue of MtrA in Mycobacterium tuberculosis enhances its DNA binding affinity by modulating inter-domain interaction.

The response regulator, MtrA, plays a major role in adaptation to the host environment, cell division, replication, and dormancy activation of Mycobacterium tuberculosis (Mtb). The phosphorylation of the response regulator MtrA alters the downstream activity, typically involving changes in DNA binding activity. However, there is a substantial knowledge gap in understanding the phosphorylation-mediated structural changes in MtrA.

Unique Pharmacological Properties and Safety Profiles of Loop Diuretics.

Loop diuretics are regarded as essential for the treatment of edematous conditions in heart failure, cirrhosis, and renal disease. The principal mechanism of action involves inhibiting the reabsorption of ions (Na+, 2Cl-, and K+) from the ascending loop of Henle. The pharmacokinetic (PK) and pharmacodynamic (PD) features of the commonly used diuretics (torsemide, furosemide, and bumetanide) influence the selection of diuretics in various disease states and dosing regimens.

Advancing pediatric drug development in South Asia: Current landscape and vision for the future.

The manuscript summarizes the outcomes of a one-day conference by the South Asian College of American College of Clinical Pharmacology (SAC-ACCP) in July 2023, at Bhopal. The theme of the conference was "Advancing pediatric drug development in South Asia." SAC-ACCP organized this event in Bhopal to foster the discipline of clinical pharmacology and to motivate researchers and physicians in the in the central part of India.