Assessing the Validity of Diffusion Weighted Imaging Models: A Study in Patients with Post-Surgical Lower-Grade Glioma.

Diffusion weighted imaging (DWI) is used for monitoring purposes for lower-grade glioma (LGG). While the apparent diffusion coefficient (ADC) is clinically used, various DWI models have been developed to better understand the micro-environment. However, the validity of these models and how they relate to each other is currently unknown.

Repeatability of Pentacam HR in Keratoconus According to Two Different Scan Protocols: 25-3D Scan and 50-Cornea Fine.

This study aims to evaluate the repeatability of the Pentacam HR, comparing two different measurement modes (50-cornea fine and 25-3D scan) in patients affected by keratoconus. Multicenter retrospective study, conducted at Eye Clinic of the ASST-Spedali Civili-University of Brescia, Italy, and St. Paul's Eye Unit, Royal Liverpool University Hospital, United Kingdom.

PD-1 and PD-L1 Expression in Endometrial Cancer: A Systematic Review of the Literature.

Cancer immunotherapy through the use of PD-1/PD-L1 inhibitors have shown significant promise in endometrial carcinoma (EC), particularly in tumors with microsatellite instability (MSI) or mismatch repair deficiency (dMMR), present in approximately 30% of cases. This review evaluated PD-L1 and PD-1 expression as potential biomarkers for immunotherapy response in EC, focusing on their relationship with MSI status. A systematic review, adhering to PRISMA guidelines, analyzed studies from MEDLINE and Embase until February 2023 on PD-1/PD-L1 expression in EC stratified by MSI status, including diverse study designs but excluding conference abstracts, with independent screening, data extraction, and additional reference checks to ensure comprehensive coverage.

Partial Loss of NEMO Function in a Female Carrier with No Incontinentia Pigmenti.

: The nuclear factor (NF)-kB essential modulator (NEMO) has a crucial role in the NFκB pathway. Hypomorphic pathogenic variants cause ectodermal dysplasia with immunodeficiency (EDA-ID) in affected males. However, heterozygous amorphic variants could be responsible for Incontinentia Pigmenti (IP) in female carriers.

Phenolic and Iridoid Glycosides from L. and Their Effects on the α, δ, and γ Subtypes of the PPAR System-Including the Discovery of the Novel Phenylethanoid Cardiaphenyloside A and the Most Active 7-Chloro-6-desoxy-harpagide.

L. is known in Europe for its cardioactivity-also in interrelation with known risk factors of the metabolic syndrome-just as Houtt. in East Asia; however, up to now, no active constituents could be identified.

Screening of Solvent Systems for Countercurrent Chromatography Separation of Polar Constituents from L. Seeds.

The separation of large polar constituents presents a substantial challenge in natural product research when employing column chromatography techniques, as the process is both complex and time-consuming. In this study, an acetonitrile/tetrahydrofuran/di-(2-ethylhexyl) phosphoric acid/aqueous saturated sodium chloride solvent system was developed and utilized for the countercurrent chromatography of polar constituents from L. seeds.

Antiviral Activity and Underlying Mechanism of Aqueous Extract for Treating SARS-CoV-2.

Despite the widespread use of COVID-19 vaccines, there is still a global need to find effective therapeutics to deal with the variants of SARS-CoV-2. (MH) is a herbal medicine credited with antiviral effects. This study aims to investigate the antiviral effects and the underlying mechanism of aqueous extract of (AEMH) for treating SARS-CoV-2.

2,4-Dichlorophenoxyacetic Acid in the Gas and Crystal Phases and Its Intercalation in Montmorillonite-An Experimental and Theoretical Study.

Many properties of 2,4-dichlorophenoxyacetic acid (2,4-D) depend on its molecular environment, such as whether it is an isolated molecule, a dimer, or in a crystalline state. The molecular geometry, conformational analysis, and vibrational spectrum of 2,4-D were theoretically calculated using Density Functional Theory (DFT) methods. A new slightly more stable conformer was found, which is different to those previously reported.

Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne.

The electronic structure characteristics of bilayer graphyne, bilayer graphdiyne, and bilayer graphtriyne were systematically studied using molecular orbital (MO) analysis, density of states (DOS), and interaction region indicator (IRI) methods. The delocalization characteristics of the out-of-plane and in-plane π electrons (i.e.

Mechanism and Characterization of Bicomponent-Filler-Reinforced Natural Rubber Latex Composites: Experiment and Molecular Dynamics (MD).

The incorporation of reinforcing fillers into natural rubber latex (NR) to achieve superior elasticity and mechanical properties has been widely applied across various fields. However, the tendency of reinforcing fillers to agglomerate within NR limits their potential applications. In this study, multi-walled carbon nanotube (MWCNT)-silica (SiO)/NR composites were prepared using a solution blending method, aiming to enhance the performance of NR composites through the synergistic effects of dual-component fillers.

Electron Push-Pull Effect of Benzotrithiophene-Based Covalent Organic Frameworks on the Photocatalytic Degradation of Pharmaceuticals and Personal Care Products.

A covalent organic framework (COF) has emerged as a promising photocatalyst for the removal of pharmaceutical and personal care product (PPCP) contaminants; however, high-performance COF photocatalysts are still scarce. In this study, three COF photocatalysts were successfully synthesized by the condensation of benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarbaldehyde (BTT) with 4,4',4''-(1,3,5-triazine-2,4,6-triyl)trianiline (TAPT), 1,3,5-Tris(4-aminophenyl)benzene (TAPB), and 4,4',4''-nitrilotris(benzenamine) (TAPA), namely, BTT-TAPA, BTT-TAPB, and BTT-TAPT, respectively. The surface areas of BTT-TAPA, BTT-TAPB, and BTT-TAPT were found to be 800.

Anticonvulsant Effects of Synthetic -(3-Methoxybenzyl)oleamide and -(3-Methoxybenzyl)linoleamide Macamides: An In Silico and In Vivo Study.

Epilepsy is a chronic neurological disorder that affects nearly 50 million people worldwide. Experimental evidence suggests that epileptic neurons are linked to the endocannabinoid system and that inhibition of the FAAH enzyme could have neuroprotective effects by increasing the levels of endogenous endocannabinoid anandamide. In this context, the use of macamides as therapeutic agents in neurological diseases has increased in recent years.

Resveratrol-Based Carbamates as Selective Butyrylcholinesterase Inhibitors: Design, Synthesis, Computational Study and Biometal Complexation Capability.

Considering our previous experience in the design of new cholinesterase inhibitors, especially resveratrol analogs, in this research, the basic stilbene skeleton was used as a structural unit for new carbamates designed as potentially highly selective butyrylcholinesterase (BChE) inhibitors with excellent absorption, distribution, metabolism, excretion and toxicity ADMET properties. The inhibitory activity of newly prepared carbamates - was tested toward the enzymes acetylcholinesterase (AChE) and BChE. In the tested group of compounds, the leading inhibitors were and , which achieved excellent selective inhibitory activity for BChE with IC values of 0.

«Green-Ligand» in Metallodrugs Design-Cu(II) Complex with Phytic Acid: Synthetic Approach, EPR-Spectroscopy, and Antimycobacterial Activity.

The interaction of sodium phytate hydrate CHOP·xNa·yHO (phytNa) with Cu(OAc)·HO and 1,10-phenanthroline (phen) led to the anionic tetranuclear complex [Cu(HO)(phen)(phyt)]·2Na·2NH·32HO (), the structure of the latter was determined by X-ray diffraction analysis. The phytate is completely deprotonated; six phosphate fragments (with atoms P1-P6) are characterized by different spatial arrangements relative to the cyclohexane ring (1a5e conformation), which determines two different types of coordination to the complexing agents-P1 and P3, P4, and P6 have monodentate, while P2 and P5 are bidentately bound to Cu cations. The molecular structure of the anion complex is stabilized by a set of strong intramolecular hydrogen bonds involving coordinated water molecules.

Isolation and Bioactivity of Natural Products from sp. MA37.

The isolation and characterization of bioactive metabolites from species continue to represent a vital area of research, given their potential in natural product drug discovery. In this study, we characterize a new siderophore called legonoxamine I, together with a known compound, streptimidone, from the talented soil bacterium sp. MA37, using chromatographic techniques and spectroscopic analysis.

Synthesis, Antimalarial Activity and Molecular Dynamics Studies of Pipecolisporin: A Novel Cyclic Hexapeptide with Potent Therapeutic Potential.

Malaria, caused by species and transmitted by mosquitoes, continues to pose a significant global health threat. Pipecolisporin, a cyclic hexapeptide isolated from , has emerged as a promising antimalarial candidate due to its potent biological activity and stability. This study explores the synthesis, antimalarial activity, and computational studies of pipecolisporin, aiming to better understand its therapeutic potential.

New Oxygenated Methoxy--Cymene Derivatives from Leopard's Bane ( Ten., Asteraceae) Essential Oil: Synthesis Facilitating the Identification of Isomeric Minor Constituents in Complex Matrices.

Species of the genus are known for their pharmacological properties and essential oils, the chemical composition of which remains inadequately studied. In this work, GC-MS analysis, synthesis, and spectral techniques (UV, IR, MS, and NMR) were employed to identify 83 constituents in the essential oil from roots, which accounted for 98.1% of the total GC-peak area.

Anti-Neuroinflammatory Effects of Prenylated Indole Alkaloids from the Antarctic Fungus sp. Strain SF-7367.

Inflammation has always been considered a trigger or consequence of neurodegenerative diseases, and the inhibition of inflammation in the central nervous system can effectively protect nerve cells. Several studies have indicated that various natural products inhibit neuroinflammation. Among these, Antarctic fungal metabolites have pharmacological activities and a developmental value.

Uncovering the Metabolic Footprint of New Psychoactive Substances by Metabolomics: A Systematic Review.

New psychoactive substances (NPSs) emerged in the 2000s as legal alternatives to illicit drugs and quickly became a huge public health threat due to their easy accessibility online, limited information, and misleading labels. Synthetic cannabinoids and synthetic cathinones are the most reported groups of NPSs. Despite NPSs being widely studied, due to their structural diversity and the constant emergence of novel compounds with unknown properties, the development of new techniques is required to clarify their mode of action and evaluate their toxicological effects.

Proteome-Wide Identification and Comparison of Drug Pockets for Discovering New Drug Indications and Side Effects.

Drug development faces significant financial and time challenges, highlighting the need for more efficient strategies. This study evaluated the druggability of the entire human proteome using Fpocket. We identified 15,043 druggable pockets in 20,255 predicted protein structures, significantly expanding the estimated druggable proteome from 3000 to over 11,000 proteins.

Technology for the Quantitative Identification of Dairy Products Based on Raman Spectroscopy, Chemometrics, and Machine Learning.

The technologies used for the characterization and quantitative analysis of dairy products based on Raman spectroscopy have developed rapidly in recent years. At the level of spectral data, there are not only traditional Raman spectra but also two-dimensional correlation spectra, which can provide rich compositional and characteristic information about the samples. In terms of spectral preprocessing, there are various methods, such as normalization, wavelet denoising, and feature extraction.

Effect of Drying Methods on the Phenolic Profile and Antioxidant Capacity of (Roxb.) Benth. Aril and Its Inhibitory Properties on Human SW480 Colon Adenocarcinoma Cells.

() is a Mexican plant that is consumed raw or in different preparations, and its anti-inflammatory and antioxidant properties have traditionally been useful in treating several conditions. However, the post-harvest drying process can alter the content of bioactive compounds in . This study aims to evaluate the impact of different drying methods on the phenolic profile and antioxidant capacity of this plant, as well as its inhibitory effect on human SW480 colon adenocarcinoma cells.

Physicochemical Characterization and Asymmetric Catalytic Properties of New Biobased Organocatalytic Surfactants.

In organic synthesis, the solvent is the chemical compound that represents the largest proportion of the process. However, conventional solvents are often toxic and dangerous for the environment, and an interesting alternative is to replace them by water. In this context, catalyst surfactants allow both organic reagents in water to be solubilized and organic reactions to be catalyzed.

Recovery of Polysaccharides from Red Grape Marc and White Grape Pomace by Degradation of Cell Walls by Enzymes with Different Activities.

The recovery of polysaccharides (PS) from red grape marc and white grape pomace by enzymatic degradation of their cell walls is an interesting green extraction technique that preserves the structure and bioactivity of PS. The type and dose of enzyme, and the liquid/solid (L/S) ratio in PS extraction were studied using four commercial enzymes. Four different doses per enzyme were used, with tartaric acid as solvent and L/S ratios of 1.

Conformational Dynamics of Mitochondrial Inorganic Pyrophosphatase hPPA2 and Its Changes Caused by Pathogenic Mutations.

Inorganic pyrophosphatases, or PPases, are ubiquitous enzymes whose activity is necessary for a large number of biosynthetic reactions. The catalytic function of PPases is dependent on certain conformational changes that have been previously characterized based on the comparison of the crystal structures of various complexes. The current work describes the conformational dynamics of a structural model of human mitochondrial pyrophosphatase hPPA2 using molecular dynamics simulation, all-atom principal component analysis, and coarse-grained normal mode analysis.