Development and comprehensive greenness assessment of HPLC method for quality control of β-sitosterol in pharmaceutical ointments with trio-color coded evaluation.

A simple, rapid, and reproducible high-performance liquid chromatography (HPLC) method has been developed and validated for the determination of β-sitosterol in the pharmaceutical dosage form of moist exposed burn ointment (MEBO). This method involved an effective sample procedure for extraction of β-sitosterol from MEBO using an alkali saponification agent composed of 0.8 N ethanolic NaOH and diethyl ether.

Fragmenstein: predicting protein-ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding-based methodology.

Current strategies centred on either merging or linking initial hits from fragment-based drug design (FBDD) crystallographic screens generally do not fully leaverage 3D structural information. We show that an algorithmic approach (Fragmenstein) that 'stitches' the ligand atoms from this structural information together can provide more accurate and reliable predictions for protein-ligand complex conformation than general methods such as pharmacophore-constrained docking. This approach works under the assumption of conserved binding: when a larger molecule is designed containing the initial fragment hit, the common substructure between the two will adopt the same binding mode.

YTHDF1-mediated m6A modification of GBP4 promotes M1 macrophage polarization in acute lung injury.

Background: Acute lung injury (ALI) is a severe condition with multifaceted causes, including inflammation and oxidative stress. This research investigates the influence of m6A (N6-methyladenosine) modification on GBP4, a protein pivotal for macrophage polarization, a critical immune response in ALI.

Methods: Utilizing a mouse model to induce ALI, the study analyzed GBP4 expression in alveolar macrophages.

Combined 25-hydroxyvitamin D concentrations and physical activity on mortality in US stroke survivors: findings from the NHANES.

Background: 25-hydroxyvitamin D [25(OH)D] concentrations and physical activity (PA) are linked and both are associated with changes in mortality. We examined the association of 25(OH)D and PA with all-cause or cause-specific mortality risk in stroke survivors.

Methods: The analysis included 677 stroke survivors from National Health and Nutrition Examination Survey (NHANES) 2007-2008 to 2017-2018.

Current status and perceived challenges of collaborative research in a leading pharmacy college in Iraq: a qualitative study.

Background: Interdisciplinary collaboration among academic pharmacists is crucial for enhancing scientific research, discovering new drugs and modifying existing ones, besides solving pharmaceutical problems. This study aimed to explore the perception and experience of academic pharmacists regarding research collaboration.

Methods: A qualitative study through one-to-one face-to-face interviews with faculty members at the University of Baghdad/College of Pharmacy was conducted from May to July/2023.

Methanol-Enhanced Low-Cell-Voltage Hydrogen Generation at Industrial-Grade Current Density by Triadic Active Sites of Pt-Pd-(Ni,Co)(OH).

Methanol (ME) is a liquid hydrogen carrier, ideal for on-site-on-demand H generation, avoiding its costly and risky distribution issues, but this "ME-to-H" electric conversion suffers from high voltage (energy consumption) and competitive oxygen evolution reaction. Herein, we demonstrate that a synergistic cofunctional PtPd/(Ni,Co)(OH) catalyst with Pt single atoms (Pt) and Pd nanoclusters (Pd) anchored on OH-vacancy(V)-rich (Ni,Co)(OH) nanoparticles create synergistic triadic active sites, allowing for methanol-enhanced low-voltage H generation. For MOR, OH* is preferentially adsorbed on Pd and then interacts with the intermediates (such as *CHO or *CHOOH) adsorbed favorably on neighboring Pt with the assistance of hydrogen bonding from the surface hydrogen of (Ni,Co)(OH).

Improving natural red pigment production by Streptomyces phaeolivaceus strain GH27 for functionalization of textiles with in silico ADME prediction.

The red pigment was recovered from the S. phaeolivaceus GH27 isolate, which was molecularly identified using 16S rRNA gene sequencing and submitted to GenBank as OQ145635.1.

Genetic determinants of silver nanoparticle resistance and the impact of gamma irradiation on nanoparticle stability.

Background: One of the main issues facing public health with microbial infections is antibiotic resistance. Nanoparticles (NPs) are among the best alternatives to overcome this issue. Silver nanoparticle (AgNPs) preparations are widely applied to treat multidrug-resistant pathogens.

Nontarget Analysis and Characterization of a Group of Abundant Polyfluoroalkyl Substances─Fluorinated Benzoylurea Pesticides and Their Analogues and Transformation Products in Fish by LC-HRMS and Chemical Species-Specific Algorithms.

Poly- and perfluoroalkyl substances (PFASs) are a large class of fluorinated chemicals used in various industrial and agrochemical products such as fluorinated benzoylurea (FBU) pesticides. Initiated from an incidental and preliminary finding of three high-abundance FBUs in fish, this study implemented nontarget analysis and characterization for FBUs together with their analogues and transformation products (TPs) in fish using liquid chromatography, high-resolution mass spectrometry, and chemical species-specific algorithms. A total of 23 FBU-relevant compounds were found and tentatively/accurately elucidated with structures, including 18 PFASs and 5 non-PFAS compounds, of which 4 were original FBUs, 8 were FBU analogues, and 11 were FBU-TPs.

Mechanically Interlocked Molecular Rotors on Pb(100).

The mechanical coupling between molecules represents a promising route for the development of molecular machines. Constructing molecular gears requires easily rotatable and mutually interlocked pinions. Using scanning tunneling microscopy (STM), it is demonstrated that aluminum phthalocyanine (AlPc) molecules on Pb(100) exhibit these properties.

Low-temperature catalytic oxidation of ethanol over doped nickel phosphates.

This work is focused on the synthesis and performance of Ni(PO)-based catalysts doped with Cu, Co, Mn, Ce, Zr, and Mg for the complete oxidation of ethanol, aiming at reducing emissions from ethanol-blended gasoline. Nickel phosphate was prepared via the co-precipitation method, followed by impregnation with the specified dopants. The catalysts were thoroughly characterized by XRD, N-physisorption, XRF, FTIR and Raman spectroscopy, FESEM, NH-TPD, CO-TPD, and H-TPR to explain their performance.

A Prototype of Ultrasensitive Time-Resolved Fluoroimmunoassay with Enhanced Fluorescence System for the Trace Determination of Urinary 8-Hydroxy-2`-Deoxyguanosine, the DNA Oxidative Stress Biomarker.

This study presents a new highly sensitive and specific time-resolved fluoroimmunoassay (TRFIA) for the measurement of trace amounts of the urinary 8-hydroxy-2`-deoxyguanosine (8-OHdG) which is a biomarker for oxidative stress on DNA. The assay relied on a competitive binding approach and a mouse monoclonal antibody which recognized 8-OHdG with high specificity. In this assay, 8-OHdG conjugated with bovine serum albumin protein (8-OHdG-BSA) was employed as a solid phase antigen.

Silica Nanoparticles: A Promising Vehicle for Anti-Cancer Drugs Delivery.

The prevalence and death due to cancer have been rising over the past few decades, and eliminating tumour cells without sacrificing healthy cells remains a difficult task. Due to the low specificity and solubility of drug molecules, patients often require high dosages to achieve the desired therapeutic effects. Silica nanoparticles (SiNPs) can effectively deliver therapeutic agents to targeted sites in the body, addressing these challenges.

Malassezia polysorbatinonusus sp. nov., a Novel Isolate from a Japanese Patient with Seborrheic Dermatitis.

We describe a novel Malassezia species named Malassezia polysorbatinonusus, isolated from a Japanese patient with seborrheic dermatitis. The internal transcribed spacer (ITS) region of the isolate (LSEM 4845) were only 94.7% identical to those of M.

Self-powered dual-photoelectrode photoelectrochemical aptasensor amplified by hemin/G-quadruplex-based DNAzyme.

A self-powered dual-electrode aptasensor was developed for the detection of tumor marker carcinoembryonic antigen (CEA). The composite BiVO/ZnInS, which is capable of forming a Z-scheme heterojunction, was chosen as the photoanode, and the AuNP/CuBiO complex was chosen as the photocathode in photoelectrochemical (PEC) detection. The experiments showed that the constructed self-powered dual-electrode system had a good photoelectric response to white light, and the photocurrent signal of the photocathode was significantly enhanced under the influence of the photoanode.

Negative Staining Electron Microscopy of a Highly Flexible Sec1/Munc18 Protein Complex Stabilized by Glutaraldehyde Crosslinking.

Negative staining electron microscopy is one of the easiest ways to determine the shape and dimensions of multimeric protein complexes over 100 kDa molecular weight. This method requires small volumes (< 10 μL) of dilute protein (0.01-0.

Structural Dynamics of SNARE Complex Assembly in the Ribbon Synapses Observed by smFRET.

Single-molecule fluorescence resonance energy transfer (smFRET) is a powerful technique for studying the structural dynamics of protein molecules or detecting interactions between protein molecules in real time. Due to the high sensitivity in spatial and temporal resolution, smFRET can decipher sub-populations within heterogeneous native state conformations, which are generally lost in traditional measurements due to ensemble averaging. In addition, the single-molecule reconstitution allows protein molecules to be observed for an extensive period of time and can recapitulate the geometry of the cellular environment to retain biological function.

Use of Bio-Layer Interferometry (BLI) to Measure Binding Affinities of SNAREs and Phosphoinositides.

Bio-Layer Interferometry (BLI) is a technique that uses optical biosensing to analyze interactions between molecules. The analysis of molecular interactions is measured in real-time and does not require fluorescent tags. BLI uses disposable biosensors that come in a variety of formats to bind different ligands including biotin, hexahistidine, GST, and the Fc portion of antibodies.

Use of Biotin-Labeled Geranyl Pyrophosphate for Analysis of Ykt6 Geranylgeranylation.

Functionally derivatized analogs of prenyl lipids are valuable tools for the detection and analysis of prenylated proteins. Using a biotinylated analog of geranylgeranyl, we previously identified Ykt6 as a substrate for a novel protein prenyltransferase, termed geranylgeranyltransferase type III (GGTase-III). Ykt6 is an evolutionarily highly conserved SNARE protein that regulates multiple intracellular trafficking pathways, including intra-Golgi trafficking and autophagosome-lysosome fusion.

Use of Steered Molecular Dynamics to Explore the Conformational Changes of SNARE Proteins.

Steered Molecular Dynamics (SMD) simulation is a powerful computational simulation technique that enables the controlled manipulation of molecular systems by applying external forces. This method is frequently utilized to investigate the slow processes of biomolecular systems that occur within sub-second to second time scales, achieved through SMD simulations that only span nanoseconds. SMD simulation can be utilized to study the detailed mechanism of protein conformational changes, protein unfolding, and ligand dissociation, etc.

Molecular Dynamics Simulation for Membrane Fusion.

The soluble N-ethylmaleimide sensitive factor attachment protein receptor (SNARE) protein complex drives membrane fusion, and this process is further aided by accessory proteins, including complexin and α-synuclein. To understand the molecular mechanism underlying membrane fusion, we introduce an all-atom molecular dynamics (MD) simulation method. This method is used to understand and predict the conformations of protein and lipids, membrane geometry, and their interaction at femtosecond precision, by describing complex chemical systems with atomic models.

Investigating Complexin-Membrane Interactions Using NMR and Optical Methods.

Complexins are a family of small presynaptic proteins that regulate neurotransmitter release at nerve terminals and are highly conserved in evolution. While direct interactions with SNARE proteins are critical for all complexin functions, binding of their disordered C-terminal domains (CTD) to membranes, especially to synaptic vesicle membranes, is essential for the ability of complexin to inhibit vesicle release. Furthermore, while some complexin CTDs possess an endogenous affinity for membranes, other complexin isoforms are subject to lipidation at their C-termini, which is presumed to confer additional membrane binding.

Defining proteoform-specific interactions for drug targeting in a native cell signalling environment.

Understanding the dynamics of membrane protein-ligand interactions within a native lipid bilayer is a major goal for drug discovery. Typically, cell-based assays are used, however, they are often blind to the effects of protein modifications. In this study, using the archetypal G protein-coupled receptor rhodopsin, we found that the receptor and its effectors can be released directly from retina rod disc membranes using infrared irradiation in a mass spectrometer.

Evaluating the bioavailability of rare earth elements in paddy soils and their uptake in rice grains for human health risk.

Rare earth elements (REEs) are a critical global focus due to their increasing use, raising concerns about their environmental distribution and human exposure, both vital to food safety and human health. Surface soil (0-30 cm) and corresponding rice grain samples (n = 85) were collected from paddy fields in Taiwan. This study investigated the total REE contents in soil through aqua regia digestion, as well as their labile forms extracted using 0.

NADH-bound AIF activates the mitochondrial CHCHD4/MIA40 chaperone by a substrate-mimicry mechanism.

Mitochondrial metabolism requires the chaperoned import of disulfide-stabilized proteins via CHCHD4/MIA40 and its enigmatic interaction with oxidoreductase Apoptosis-inducing factor (AIF). By crystallizing human CHCHD4's AIF-interaction domain with an activated AIF dimer, we uncover how NADH allosterically configures AIF to anchor CHCHD4's β-hairpin and histidine-helix motifs to the inner mitochondrial membrane. The structure further reveals a similarity between the AIF-interaction domain and recognition sequences of CHCHD4 substrates.