jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ahmed Hussain Jawhari | Zeinhom H Mohamed
Source: International Journal of Analytical Chemistry (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Developing and Validating a Robust RP‐HPLC Method for Metoclopramide and Camylofin Simultaneous Analysis Using Response Surface Methodology In this study, the establishment and validation of a stable reversed-phase high-performance liquid chromatography (RP-HPLC) method for the concomitant estimation of the two drugs in dosage forms are presented. Method optimization was achieved by response surface methodology (RSM) using Design Expert Software 13, taking into account the special physicochemical characteristics of metoclopramide (MET) (a moderately polar molecule, pKa 9.5) and camylofin (CAM) (a less polar, hydrophobic molecule, pKa 8.7). Chromatographic resolution was achieved on a phenyl-hexyl column under isocratic mobile phase mode in which methanol and 20 mM ammonium acetate buffer (pH 3.5) were used to provide maximum analyte interaction and resolution. The method was found to have good linearity for both analytes (<i>R</i> <sup>2</sup> > 0.999) over the concentration ranges studied. Limits of detection were 0.23 and 0.15 μg/mL for MET and CAM, respectively, and corresponding limits of quantification were 0.35 and 0.42 μg/mL, respectively. Recovery tests gave high precision values of 98.2%-101.5%, while intra- and inter-day precision in relative standard deviation (RSD) was below 2%. The method was effectively applied for the analysis of commercial tablet formulations, confirming its reliability and suitability for routine quality control and regulatory analyses. Overall, the validated RP-HPLC method provides a sensitive, accurate, and efficient means of simultaneous determination of MET and CAM in pharmaceutical dosage forms. Analyte ; Ammonium acetate ; Resolution (logic) ; Quality by Design ; Detection limit ; Linearity ; Response surface methodology ; Methanol Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Spectroscopy and Chemometric Analyses
Authors: Mohamed Bechir Ben Hamida | Ali B. M. Ali | Narinderjit Singh Sawaran Singh | Loghman Mostafa
Source: Scientific Reports (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

Optimization of MXene-based aqueous ionic liquids for solar systems using conventional and AI-based techniques MXene-based aqueous ionic liquids hold significant promise for enhancing heat transfer in solar energy systems. However, their full potential remains underexplored, particularly concerning the simultaneous optimization of key thermophysical properties such as thermal conductivity (TC), dynamic viscosity (DV), and specific heat capacity (SHC). This study employs an integrated data-driven approach to optimize MXene-based aqueous ionic liquids by varying system temperature and MXene mass fraction (MF). Response surface methodology (RSM) is used for predictive modeling, while enhanced hill climbing (EHC), non-dominated sorting genetic algorithm II (NSGA-II), and the multi-objective generalized normal distribution optimizer (MOGNDO) are applied for multi-objective optimization. Weighted decision-making tools, including the desirability function and the MARCOS method, refine the selection of optimal solutions. The cubic RSM models effectively captured the relationships between input variables and responses, facilitating accurate optimization. MOGNDO demonstrated broader solution diversity and more comprehensive Pareto front coverage compared to NSGA-II. Optimal thermophysical performance was observed at 50 °C with MF ranging from 0.00188 to 0.2%. Predicted optimal values include TC up to 0.797 W/m K, DV between 2.028 and 2.157 mPa s, and SHC ranging from 2.192 to 2.503 J/g K. The proposed methodology offers a reliable and scalable strategy for optimizing MXene-based nanofluids, contributing to improved thermo-hydraulic performance in solar systems. These findings support the advancement of renewable energy solutions and provide a robust framework applicable to broader engineering optimization problems. Ionic liquid ; Aqueous solution ; Computer science ; Ionic bonding ; Biological system ; Chemistry ; Process engineering ; Biology ; Organic chemistry ; Ion ; Engineering ; Catalysis MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Nanomaterials for catalytic reactions
Authors: Dalila Capasso | Roberta Zeuli | Gavin Arno | Michael Kwint | Raoul Timmermans | Karla Alejandra Ruiz-Ceja | Marianthi Karali | Francesca Simonelli | Sabrina Signorini | Enza Maria Valente | Frans P.M. Cremers | Sandro Banfi | Susanne Roosing | Daan M. Panneman | Suzanne E. de Bruijn
Source: Human Genetics and Genomics Advances (article, 2025-04-18)
Field: Materials Science — Materials Chemistry

Targeted long-read cDNA sequencing reveals novel splice-altering pathogenic variants causing retinal dystrophies Splice-altering variants are suggested to be responsible for part of the missing heritability of inherited retinal diseases (IRDs). The interpretation of these variants is challenging as functional evidence is required to validate pathogenicity. We explored the diagnostic value of a targeted long-read cDNA sequencing (lrcDNA-seq) approach to investigate IRD-associated splicing defects. For each affected individual, RNA was isolated from blood, and for each candidate gene, cDNA amplicons, spanning the complete open reading frame or multiple exons, were generated and subjected to long-read sequencing. We validated our approach by assessing previously described pathogenic splice-altering variants in IRD-associated genes. Next, we investigated six genetically unexplained affected individuals, each carrying pathogenic variant(s) in NMNAT1. In two probands, we provided functional validation for previously identified variants of uncertain significance present on the second allele. In four other subjects, lrcDNA-seq revealed the partial inclusion of an SVA_F retrotransposon in the NMNAT1 mRNA, predicted to introduce a premature stop codon. We showed that targeted lrcDNA-seq is effective in characterizing splice defects and in identifying novel splice-altering variants and uncovered the IRD genetic basis for six previously unexplained subjects. We believe that the implementation of this technique has the potential to contribute to an increased diagnostic rate of IRDs. splice ; Genetics ; Biology ; Complementary DNA ; Computational biology ; Retinal ; RNA splicing ; Gene ; RNA Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Retinal Development and Disorders
Authors: Tesfaye Worku
Source: American Journal of Materials Synthesis and Processing (article, 2025-04-22)
Field: Materials Science — Polymers and Plastics

Challenges and Prospects of Composite Materials Manufacturing Using Textile Fibers as Reinforcement Recent advancements in composite materials reinforced with textile fibers have garnered significant attention due to their potential to replace synthetic fibers in a range of industrial applications. Natural fiber polymeric composites&amp;apos; mechanical properties, manufacturing processes, and application performance have all been thoroughly investigated. However, it may be challenging to establish consistent mechanical properties due to the inherent variability of textile fibers. The challenges and opportunities of making composite materials with textile fiber as reinforcement Significant research on natural fiber polymeric composites has been published in recent years. The majority of research focuses on characterizing natural fibers and comparing their mechanical behavior and application performance to that of conventional composites. Natural fibers come in dozens of varieties, each with unique qualities that affect whether or not they are used in particular industrial applications. It is challenging to choose the right fiber for a given application because of the natural origin of these materials, which generally results in a wide range of variances in attributes dependent mostly on the harvesting area and conditions. In order to map the positions of each type of fiber in various attributes, this paper presents a thorough analysis of the challenges and opportunities associated with using natural fibers as reinforcement in composite materials. Additionally reviewed is recent published research on emergent fiber types. Applications of natural fiber composites are examined in a bibliometric study. There is also a discussion and presentation of a prospective study of the future trends of natural fiber applications and the necessary advancements to increase their range. Textile ; Composite number ; Reinforcement ; Materials science ; Composite material Natural Fiber Reinforced Composites ; Textile materials and evaluations ; biodegradable polymer synthesis and properties
Authors: Stephanie Biedka | Svitlana Yablonska | Peng Xi | Duah Alkam | Mara Hartoyo | Hannah VanEvery | Daniel J. Kass | Stephanie D. Byrum | Kunhong Xiao | Yingze Zhang | Robyn T. Domsic | Robert Lafyatis | Dana P. Ascherman | Jonathan S. Minden
Source: Journal of Proteome Research (article, 2025-01-15)
Field: Chemistry — Spectroscopy

IP-to-MS: An Unbiased Workflow for Antigen Profiling Immunoprecipitation is among the most widely utilized methods in biomedical research, with applications that include the identification of antibody targets and associated proteins. The path to identifying these targets is not straightforward, however, and often requires the use of chemical cross-linking and/or gel electrophoresis to separate targets from an overabundance of immunoglobulin protein. Such experiments are labor intensive and often yield long lists of candidate antibody targets. Here, we describe an unbiased immunoprecipitation-to-mass spectrometry (IP-to-MS) method that relies on a novel protein tag to separate low abundance immunoprecipitated proteins from overwhelmingly abundant immunoglobulins. We demonstrate that the IP-to-MS serotyping workflow is highly reproducible and can be used for the identification of novel, patient-specific antigen targets in multiple disease states. Furthermore, we show that IP-to-MS may outperform conventional methods of antibody detection, including enzyme-linked immunosorbent assay, while also enabling patient stratification beyond what is possible with traditional approaches. Immunoprecipitation ; Computational biology ; Antibody ; Profiling (computer programming) ; Workflow ; Proteomics ; Antigen ; Chemistry ; Computer science ; Biology ; Biochemistry ; Immunology ; Gene ; Database Advanced Proteomics Techniques and Applications ; Biosensors and Analytical Detection ; Mass Spectrometry Techniques and Applications
Authors: V. Samouillan | Camille Ober | Marie-Hélène Lacoste-Ferré
Source: Biomolecules (article, 2025-07-08)
Field: Chemistry — Physical and Theoretical Chemistry

Impact of Aging and Pathologies on Human Oral Mucosa: Preliminary Investigation of Biophysical Markers from Thermal and Vibrational Analyses This study first examines the potential of using Fourier-transform infrared spectroscopy (FTIR) and differential scanning calorimetry (DSC) to extract molecular and organizational markers from human oral mucosa. These indicators are then examined in relation to age and pathophysiological conditions. Oral mucosa biopsies were collected from 38 patients during surgical procedures and analyzed using FTIR and DSC-validated protocols. The patients were divided into two age groups, namely 20-40 and 70-90 years. Vibrational markers of the lamina propria and epithelium, including lipid-to-protein and collagen-to-protein ratios and lipid order, were extracted from the FTIR spectra of both layers. Hydration levels and collagen thermal stability were determined from DSC thermograms of the entire biopsy. The preliminary findings of this study, which will require further validation in a larger patient cohort, indicate a significant decrease in bound water content and collagen denaturation temperature in the older population. This suggests that oral mucosa undergoes structural dehydration and collagen destabilization with age. Further comparisons within the older group revealed links between biophysical markers of the oral mucosa and chronic or local pathologies. Patients with cardiovascular diseases exhibit altered collagen organization, while patients with diabetes display differences in the lipid-to-protein ratio and the order of lipid chains in the epithelium. Gingivitis is associated with variations in the collagen-to-protein ratio, which supports the role of inflammation in extracellular matrix remodeling. Oral mucosa ; Computational biology ; Biology ; Chemistry ; Medicine ; Pathology thermodynamics and calorimetric analyses ; Infrared Thermography in Medicine
Authors: Zuguo Yang | Yanxia Liu | Jing Jiang | Lijuan Pan | Dandi Wei | Xingen Feng | Long He | Jixiang Guo | Yagang Zhang
Source: Molecules (article, 2025-11-18)
Field: Chemistry — Analytical Chemistry

A Multi-Component and Multi-Functional Synergistic System for Efficient Viscosity Reduction of Extra-Heavy Oil The extra-heavy oil in the Tahe Oilfield of China has extremely high viscosity, as it is rich in the heavy components asphaltene and resin, creating significant difficulties in its exploitation and transportation. Therefore, it is important to effectively reduce the viscosity and improve the fluidity of this extra-heavy oil. The traditional viscosity reduction method suffers from a high blending ratio and a shortage of light crude oil resources for extra-heavy oil blending. In this study, coal tar and washing oil-widely available low-cost by-products of the coal chemical industry-are used for extra-heavy oil blending and viscosity reduction. Washing oil-containing light components distilled from coal tar-was highly effective in reducing the viscosity of extra-heavy oil. When the dilution ratio of washing oil is 0.25, the viscosity of extra-heavy oil is reduced to 1214 mPa·s, and the viscosity reduction rate is 99.8%, indicating that washing oil is an efficient viscosity-reducing agent in extra-heavy oil blending. GC-MS showed that the washing oil contained abundant aromatic hydrocarbons and aromatic heterocyclic rings. A multi-component viscosity reduction system using washing oil coupled with toluene, xylene, and surfactant achieved an even better viscosity reduction effect. In conclusion, we designed a low-cost, high-efficiency, multi-component, and multi-functional synergistic system for extra-heavy oil viscosity reduction in the Tahe Oilfield. In the proposed working mechanism, aromatic hydrocarbons and aromatic heterocyclic rings in washing oil can intercalate into the layered structure of dense asphaltene aggregates, thereby dispersing and dissociating them. Viscosity ; Asphaltene ; Light crude oil ; Dilution ; Enhanced oil recovery ; Emulsion ; Dispersant ; Coal tar ; Coal Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Ying Dang | Zhi‐Wen Zhao | Bo Wang | Aichao Du | Shuangyi Li | Guoqiang Yuan | Yawen Pan
Source: International Journal of Molecular Sciences (article, 2025-01-07)
Field: Materials Science — Biomaterials

Polymeric Polylactic Acid–Glycolic Acid-Based Nanoparticles Deliver Nintedanib Across the Blood–Brain Barrier to Inhibit Glioblastoma Growth The aim of this study was to investigate the inhibitory effect of nintedanib (BIBF) on glioblastoma (GBM) cells and its mechanism of action and to optimize a drug delivery strategy to overcome the limitations posed by the blood-brain barrier (BBB). We analyzed the inhibition of GBM cell lines following BIBF treatment and explored its effect on the autophagy pathway. The cytotoxicity of BIBF was assessed using the CCK-8 assay, and further techniques such as transmission electron microscopy, Western blotting (WB), and flow cytometry were employed to demonstrate that BIBF could block the autophagic pathway by inhibiting the fusion of autophagosomes and lysosomes, ultimately limiting the proliferation of GBM cells. Molecular docking and surface plasmon resonance (SPR) experiments indicated that BIBF specifically binds to the autophagy-associated protein VPS18, interfering with its function and inhibiting the normal progression of autophagy. However, the application of BIBF in GBM therapy is limited due to restricted drug penetration across the BBB. Therefore, this study utilized poly-lactic-co-glycolic acid (PLGA) nanocarriers as a drug delivery system to significantly enhance the delivery efficiency of BIBF in vivo. In vitro cellular experiments and in vivo animal model validation demonstrated that PLGA-BIBF NPs effectively overcame the limitations of the BBB, significantly enhanced the antitumor activity of BIBF, and improved therapeutic efficacy in a GBM BALB/c-Nude model. This study demonstrated that BIBF exerted significant inhibitory effects on GBM cells by binding to VPS18 and inhibiting the autophagy pathway. Combined with the PLGA nanocarrier delivery system, the blood-brain barrier permeability and anti-tumor effect of BIBF were significantly enhanced. Targeting the BIBF-VPS18 pathway and optimizing drug delivery through nanotechnology may represent a new strategy for GBM treatment, providing innovative clinical treatment ideas and a theoretical basis for patients with GBM. Glycolic acid ; Polylactic acid ; Blood–brain barrier ; Glioblastoma ; Chemistry ; Nanoparticle ; Cancer research ; Pharmacology ; Biophysics ; Medicine ; Nanotechnology ; Lactic acid ; Internal medicine ; Biology ; Materials science ; Central nervous system ; Organic chemistry ; Bacteria Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoplatforms for cancer theranostics
Authors: Bishnu Pada Majee | Keith Bryce | Liping Huang | Jie Lian
Source: npj Materials Degradation (article, 2025-06-20)
Field: Materials Science — Materials Chemistry

High temperature steam corrosion of LuPO4 and high-entropy rare earth phosphates in the presence of Al(OH)3 and Si(OH)4 impurities In this work, five high-entropy rare earth phosphate and one single component rare earth phosphate (LuPO4) coupons were synthesized as novel environmental barrier coating (EBC) material candidates for silicon carbide ceramic matrix composites (SiC-CMCs). Their high temperature steam corrosion resistance was investigated at 1400 °C for 60 h in the presence of Al(OH)3 and Si(OH)4 contamination, with the focus on microstructural evolution, new phase formation, reaction layer thickness, and mass loss. LuPO4 shows a larger mass loss than all the high entropy phosphates, and the formation of a ~ 8.7 µm thick reaction layer enriched with micro-sized voids and porosity up to 19%. In contrast, high entropy phosphates exhibit significantly enhanced steam corrosion resistance at high temperatures with a lower porosity in the surface alteration layer than LuPO4. Among them, (Sc0.2Lu0.2Yb0.2Y0.2Gd0.2)PO4 and (Sc0.2Lu0.2Yb0.2Y0.2Sm0.2)PO4 are the least corroded samples based on the microstructure alteration observed by scanning electron microscope (SEM). Following the water vapor test, all the rare earth phosphates show the formation of a microvoided reaction layer of new phases, including RE2O3, Al5RE3O12, AlPO4, and RE2SiO5. The enhanced corrosion resistance of the high entropy rare earth phosphates is ascribed to the enhanced stability of the crystal structure because of their compositional complexity and size disordering. All these results indicate that high entropy rare earth phosphates are promising candidates for EBC for SiC-CMCs. Impurity ; Rare earth ; Corrosion ; High-temperature corrosion ; Chemistry ; Materials science ; Inorganic chemistry ; Metallurgy ; Organic chemistry Nuclear materials and radiation effects ; Luminescence Properties of Advanced Materials ; Glass properties and applications
Authors: M. Hamitoğlu | Gulcin Tugcu | Adil Kılıç | Gül Esen | Ahmet Aydın
Source: Naunyn-Schmiedeberg s Archives of Pharmacology (article, 2025-01-21)
Field: Chemistry — Organic Chemistry

In silico and in vitro evaluation of the potential genotoxic impurities of vildagliptin Establishing the safety of impurities in drug substances or products is crucial. The assessment of genotoxicity for these impurities and determining the acceptable limits pose considerable challenges, as recognized in recent guidelines. While the genotoxicity profile of vildagliptin-an oral hypoglycemic drug-is well established, there is limited knowledge about the genotoxic potential of its impurities. In this study, vildagliptin cyclic amidine, vildagliptin diketopiperazine, and vildagliptin amide were assessed in silico and in vitro for mutagenic and clastogenic/aneugenic potential using Ames and micronucleus tests. None of the investigated impurities showed mutagenic or clastogenic potential, thus, are considered non-mutagenic and non-clastogenic/aneugenic in vitro. These findings are consistent with negative in silico predictions for mutagenicity and clastogenicity/aneugenicity in vitro, indicating a good correlation between in silico and in vitro data. In conclusion, this study provides valuable information for the safety assessment of vildagliptin, confirming that its impurities are neither clastogenic/aneugenic nor mutagenic. Vildagliptin ; In silico ; In vitro ; Genotoxicity ; Biochemical engineering ; Computational biology ; Chemistry ; Nanotechnology ; Biochemistry ; Biology ; Biotechnology ; Materials science ; Engineering ; Gene ; Toxicity ; Organic chemistry ; Metformin Synthesis and Biological Evaluation ; Pharmacogenetics and Drug Metabolism ; Carcinogens and Genotoxicity Assessment