jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Carlos Alberto Ávila-Orta | Víctor Javier Cruz-Delgado | Zureima García Hernández | Florentino Soriano-Corral | Gregorio Cadenas‐Pliego | Felipe Padilla-Vaca | Fernando Anaya-Velázquez | B Franco | Claudia Leticia Mendoza-Macías | José Antonio Alvarez-Canales | Edgar Alfonso Radillo-Pineda | Rodolfo Radillo-Ruíz
Source: Textiles (article, 2026-02-10)
Field: Chemistry — Organic Chemistry

Development and Evaluation of Antimicrobial Hospital Apparel Incorporating Copper Nanoparticles: Upscaling, Durability, and Hospital Assessment Healthcare-associated infections (HAIs) remain a major challenge in clinical environments, where textiles frequently act as reservoirs for pathogenic bacteria. This study reports the development, upscaling, and hospital validation of antimicrobial hospital apparel incorporating copper nanoparticles (CuNPs) embedded within polyamide-6 core–sheath bicomponent filaments. A CuNP–polyamide masterbatch was produced through ultrasound-assisted melt extrusion and processed into continuous filament yarns under varying draw conditions. Filaments drawn at 1500 m/min exhibited uniform nanoparticle distribution, improved sheath exposure, and suitable mechanical properties for weaving. The optimized yarns were incorporated into woven narrow fabrics and integrated into prototype medical coats. Antimicrobial assays demonstrated &gt;90% inhibition of S. aureus and 70% inhibition of P. aeruginosa. Durability testing showed minimal activity loss after 10 laundering cycles and no significant decline after up to 200 abrasion cycles. Cytotoxicity evaluation confirmed high fibroblast viability (97%), supporting the biocompatibility of the materials. In a hospital field trial, antimicrobial uniforms achieved substantial reductions in microbial burden, particularly at sleeve cuffs (30% total bacteria, 55% Gram-positive, 70% Gram-negative). It was demonstrated that intrinsically antimicrobial CuNP-embedded textiles offer a durable and safe strategy for reducing bacterial contamination in healthcare apparel and improving infection-control practices. Antimicrobial ; Biocompatibility ; Abrasion (mechanical) ; Clothing ; Textile Antimicrobial agents and applications ; Dyeing and Modifying Textile Fibers ; Infection Control in Healthcare
Authors: A.D.N. Lestari | A. Ungirwalu | Evelina Somar | Murtihapsari
Source: Asian Journal of Chemistry (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

Formulation and Evaluation of Ethanolic Extract of Black Fruit (Haplolobus sp.) Leaves and Chitosan-Tripolyphosphate Mixture as Antioxidant and Antibacterial Agents This study investigated the mixture system comprising an ethanolic extract of black fruit (Haplolobus sp.) leaves and chitosan-tripolyphosphate (TPP), hereinafter called extract-chitosan-TPP mixture (ECTM), with a focus on its an antioxidant and antibacterial properties. The solution was prepared by adding the extract to the chitosan solution followed by the addition of TPP and then subsequent sonication. The resulting ECTM was centrifuged and then its encapsulation efficiency was determined based on the phenolic content using gallic acid method. The results showed that the ECTM particle size ranged from 190.7 to 496.8 nm with a polydispersity index of less than 0.5, which indicated that the suspension was homogeneous. The statistical results based on Taguchi method showed that the smallest possible size was 187.08 nm at a chitosan:TPP ratio of 0.2, extract concentration of 15% and ultrasonic time of 10 min. Encapsulation efficiency ranged from 75.45-80.43%. The antioxidant activity, expressed as IC50 values, ranged from 0.54 to 25.77, while the antibacterial activity was highest for sample E, showing inhibition of 15.63% against Staphylococcus aureus and 14.70% against Escherichia coli, relative to the antibacterial activity of chloramphenicol. Gallic acid ; Antioxidant ; Antibacterial activity ; Dispersity ; Minimum inhibitory concentration ; Particle size ; Staphylococcus aureus ; IC50 Plant-Derived Bioactive Compounds ; Nanocomposite Films for Food Packaging ; Tannin, Tannase and Anticancer Activities
Authors: David A. O. Meier | B. T. Glazer | V. Celeste Lanclos | Hans K. Carlson | John D. Coates
Source: Frontiers in Microbiology (article, 2026-03-19)
Field: Materials Science — Biomaterials

Growth-associated polyhydroxybutyrate accumulation in Azospira suillum PS during aerobic and perchlorate respiration Polyhydroxyalkanoates (PHAs) are widespread microbial storage polymers increasingly recognized for roles beyond carbon and energy storage, including redox homeostasis and stress physiology. While PHA accumulation is classically associated with stationary-phase metabolism under severe nutrient imbalance, comparatively little is known about growth-associated PHA synthesis in facultative anaerobes with unusual respiratory strategies. Here, we investigated polyhydroxybutyrate (PHB) metabolism in <i>Azospira suillum</i> PS, a genetically tractable perchlorate-reducing bacterium capable of both aerobic and anaerobic respiration. Using physiological growth experiments, targeted gene deletions, PHB extractions, and intracellular redox measurements, we examined PHB accumulation under varying respiratory and nutrient conditions. We demonstrate that PHB accumulates during exponential growth under moderately nitrogen-limited conditions, both aerobically and during perchlorate respiration, representing a rare example of growth-associated PHB synthesis under anaerobic conditions. Genomic analysis revealed four <i>phaC</i> homologs, one of which could not be deleted under the experimental conditions tested and co-localized with <i>phaB</i> and <i>phaR</i>. Redox profiling further revealed a strong positive correlation between PHB accumulation and intracellular NADPH/NADP<sup>+</sup> ratios. Together, these findings expand the physiological contexts in which PHB synthesis is known to occur and highlight perchlorate-respiring bacteria as underexplored model systems for studying growth-integrated carbon and redox storage strategies. Polyhydroxybutyrate ; Polyhydroxyalkanoates ; Redox ; Bacteria ; Intracellular ; Cellular respiration ; Metabolism ; Anaerobic exercise biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Enzyme Catalysis and Immobilization
Authors: Myrsini Sakarika | Joost Brancart | Korneel Rabaey
Source: Chemical Engineering Journal (article, 2026-03-23)
Field: Materials Science — Biomaterials

The properties of bio-based plastics from microbial biomass and extracted microbial protein Bioplastic ; Biomass (ecology) ; Context (archaeology) ; Ultimate tensile strength ; Polymer ; Inert biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Microplastics and Plastic Pollution
Authors: Zhiming Shi | Hui Sun | Y. Jin | Xiaoming Xu
Source: Molecules (article, 2026-03-26)
Field: Chemistry — Organic Chemistry

Natural Product-Derived Activity-Based and Affinity-Based Probes: Tools for Mechanism of Action Studies Natural products have played a pivotal role in the history of drug discovery, yet mechanistic investigations have often posed significant challenges that impede the development of natural product-derived drugs. Traditional approaches using natural product prototypes as probes for target identification and mechanistic exploration are often hampered by labor-intensive optimization and low sensitivity, whereas the advent of advanced mass spectrometry and mature Activity-Based Protein Profiling (ABPP) strategies has propelled labeled probes derived from natural products to the forefront of research. Such probes enable efficient target identification and visualization, thereby greatly facilitating the elucidation of mechanisms of action. This article systematically introduces commonly used labeling groups, reviews recent applications of labeled probes across various classes of natural products, and aims to provide references for the study of unexplored natural products of similar types. It also outlines the development of novel photoaffinity groups, suggesting that future designs should focus on small size, strong binding affinity, and stable binding, so as to further expand their applications in chemical biology and drug discovery. Natural product ; Identification (biology) ; Mechanism (biology) ; Natural (archaeology) ; Profiling (computer programming) ; Drug discovery ; Drug development Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Biochemical and Structural Characterization
Authors: Minsu Heo | Kyu Hyoung Lee | Junwoo Song | Changwoo Lee | Insub Lee | Kwangjoo Kim | Hoon Wee | J. Lee | Youngdeog Koh | Hyun-Sik Kim | G. Jeffrey Snyder
Source: Energy & Environmental Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Effective mass model for thermoelectrics Thermoelectric performance ( zT ) can be written directly as a function of thermopower and quality factor B , providing a simple route to thermoelectric optimization. Thermoelectric materials ; Thermoelectric effect ; Seebeck coefficient ; Quality (philosophy) ; Thermoelectric generator ; Function (biology) Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; 2D Materials and Applications
Authors: D. Jebixson Immanuel | J. Winfred Jebaraj
Source: Asian Journal of Chemistry (article, 2026-01-31)
Field: Chemistry — Organic Chemistry

Electronic and Molecular Insights into Vericiguat: A Combined DFT, SAR and Molecular Docking Approach A medication called vericiguat is employed to treat symptomatic chronic heart failure. This work utilised Gaussian 16W in the gaseous phase to perform density functional theory (DFT) algorithms at the B3LYP/6-311++G(d,p) level. The electronic structure, Mulliken charge distribution and electrostatic potential (ESP) map were analyzed to explain the fundamental properties of molecule. The hole-electron interaction studies revealed the nature of charge transfer. Theoretical vibrational and UV-Vis spectral analyses were performed to support structural characterisation. Fukui function analysis was employed to predict reactive sites toward electrophilic, nucleophilic and radical attacks. Aromaticity indices, non-covalent interaction (NCI) analysis, shaded surface mapping and localised orbital locator (LOL) projections were generated using Multiwfn 3.8. Furthermore, molecular docking and structure-activity relationship (SAR) studies were performed with Maestro (Schrödinger) against target protein 6JT2, providing insights into binding interactions and the potential therapeutic significance of vericiguat. Mulliken population analysis ; Gaussian ; Charge density ; Density functional theory ; Electronic structure ; Docking (animal) ; Charge (physics) ; Molecular orbital Free Radicals and Antioxidants ; Nonlinear Optical Materials Research ; Computational Drug Discovery Methods
Authors: Saurabh Bhatia | Yasir Abbas Shah | Aysha Salim Alhadhrami | Talha Shireen Khan | Muhammad Jawad | Ahmed Al-Harrasi | Esra Koca | Levent Yurdaer Aydemir | Tanveer Alam
Source: Frontiers in Food Science and Technology (article, 2026-01-16)
Field: Materials Science — Biomaterials

Exploring the impact of Galbanum on the functionality of gelatin-based packaging films Introduction The current study was designed to investigate the effect of Galbanum absolute over the physico-chemical and antioxidant properties of gelatin films. Methods Traditional casting method was used to fabricated gelatin and galbanum absolute film samples. The developed films were further subjected to FTIR, XRD, SEM, and DSC analysis determine their physiochemical and structural properties. Results It was found that with an increase in the concentration of Galbanum absolute, film thickness (0.07 mm – 0.17 mm), thermal stability, and contact angle (51.53° – 80.14°) were increased whereas transmittance (63.44 – 90.32) and crystallinity of the samples decreased. Furthermore, the incorporation of Galbanum absolute significantly increased the antioxidant properties (from 39.44% to 61.99% for DPPH radical scavenging activity and 8.89% to 62.86% for ABTS radical scavenging activity) of gelatin films. However, micrographs of Galbanum absolute-loaded films showed an increase in roughness and cracks over the films with the addition of Galbanum absolute. Discussion Therefore, further optimization of the Galbanum absolute proportion in the biopolymer films can result in the development of stable active packaging. These findings highlight the potential applications of Galbanum absolute as a natural additive in biodegradable food packaging materials to enhance the thermal stability and antioxidant properties. Gelatin ; Crystallinity ; DPPH ; Biopolymer ; ABTS ; Thermal stability ; Contact angle ; Absolute (philosophy) Nanocomposite Films for Food Packaging ; Collagen: Extraction and Characterization ; Material Properties and Processing
Authors: Jaka Mur | Rok Petkovšek | Claus-Dieter Ohl
Source: Ultrasonics Sonochemistry (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Sonoluminescence from single cavitation bubbles near solid surfaces Sonoluminescence, the light emission from bubbles undergoing large volume oscillations, has traditionally been associated with near-spherical bubble collapses in free liquid. In contrast, highly asymmetric bubble collapses near solid boundaries are known to cause surface erosion from transient and extreme pressure build ups. While both phenomena are caused from energy focusing during bubble collapse, a connection between erosion and light emission has not been previously reported. Here, we for the first time observe the highly asymmetric toroidal cavitation bubble collapse leading to erosive effects on the nearby boundary emits light, too. Through multi-modal measurements of the bubble dynamics and the associated phenomena near solid surfaces, we find that light emission occurs exclusively at the sites and time of the most intense flow focusing. Yet, we find no correlation between the occurrence of light emission from sonoluminescence and erosion. This findings reveal that the mechanisms governing energy focusing within the bubble and in the liquid are resulting from distinct energy focusing pathways. Sonoluminescence ; Cavitation ; Solid surface ; Sonochemistry ; Bubble Ultrasound and Cavitation Phenomena ; Ultrasound and Hyperthermia Applications ; Minerals Flotation and Separation Techniques
Authors: Bowen Tang | Yi Xu | Ran Zhuo | Jiaming Xiong | Ju Tang
Source: Coatings (article, 2026-01-24)
Field: Materials Science — Materials Chemistry

Insulation Design of Gas–Solid Interface at HVDC Condition-Part I: The Research Progress on Surface Charge Accumulation and Dissipation High voltage direct current (HVDC) gas-insulated equipment (GIE) has become a critical component in long-distance power transmission projects, owing to its advantages such as compact structure and high reliability. However, the gas–solid interface insulation of DC GIE under long-term operation faces charge accumulation phenomenon, which will distort the electric field distribution and cause insulation flashover. Due to the lack of technical guidelines for the insulation design of DC gas-insulated equipment, the method of insulation design usually adopts increasing the insulation structure size to ensure sufficient creepage along the surface, which greatly increases the dimensions and manufacturing costs of the final equipment, and fails to fully leverage the unique advantages of GIE in compactness and lightness. Therefore, it is of importance to clarify the mechanism of charge accumulation on the surface of insulators under HVDC, and to propose an insulation design method that can effectively inhibit the charge accumulation and adjust the electric field distribution at the gas–solid interface, which holds practical significance for the safe application of large-scale DC GIE projects. In view of this, this paper firstly summarizes the characteristics of surface charge accumulation at gas–solid interface, and then reviews the existing research progress from two perspectives: surface charge suppression of insulation structure and gas–solid interface electric field regulation, providing theoretical and technical support for optimizing the design of GIE insulation structure, formulating scientific operation and maintenance measures. Voltage ; Dissipation ; Insulation system ; Interface (matter) ; Charge density ; Surface charge ; Electric field ; High voltage ; Power transmission High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Aerosol Filtration and Electrostatic Precipitation
Authors: Pradeep Kumar | Monika Singh | Madhu Kamle | Anurag Singh | Akansha Gupta | Dipendra Kumar Mahato | Surabhi Pandey
Source: Food Science and Processing (article, 2026-01-21)
Field: Materials Science — Biomaterials

Edible Innovation: Exploring Advances in Active Packaging, Natural Additives, and Consumer Perception In the pursuit of sustainable and health-conscious food systems, edible innovation has emerged as a transformative frontier. This article explores the evolving landscape of edible packaging technologies, the integration of natural additives with functional benefits, and how consumer perception shapes the adoption of these novel approaches. Active packaging, such as chitosan-based films embedded with essential oils or silver nanoparticles, has demonstrated potential in extending shelf life and enhancing microbial safety. Natural additives, including rosemary extract, curcumin, and green tea polyphenols, are increasingly used for their antioxidant, antimicrobial, and health-promoting properties while supporting clean-label demands. Yet, consumer perception influenced by factors like sensory appeal, labeling, health consciousness, and environmental awareness remains a critical determinant of success. For instance, studies have shown that consumers are more likely to accept edible films if they are transparent, tasteless, and marketed as environmentally friendly. By examining recent scientific advances and market responses, this article provides a concise yet insightful overview of the edible innovation movement and its implications for the future of food. Natural (archaeology) ; Perception ; Transformative learning ; Consumer awareness ; Sustainability ; Sustainable development Nanocomposite Films for Food Packaging ; Consumer Packaging Perceptions and Trends ; Sensory Analysis and Statistical Methods
Authors: Noha M. Gamil | Rawan Atef Essmat | Fatma Shaban Hafez | Osama Aldesoky Abd Alaziz | Asmaa E. Bogor | Shehab Wageh | Donia G. Youssef | Nourhan Abdellatif | Riham A. El-Shiekh | Samar S. Khalaf
Source: Naunyn-Schmiedeberg s Archives of Pharmacology (article, 2026-03-26)
Field: Chemistry — Physical and Theoretical Chemistry

Esculetin and its derivatives: recent advances in efficacy, mechanisms, and translational challenges Esculetin (ESC, 6,7-dihydroxycoumarin), a naturally occurring polyphenolic coumarin found in numerous medicinal and dietary plants, has emerged as a multi-target bioactive scaffold demonstrating anti-inflammatory, antioxidant, and antiproliferative properties in diverse preclinical models. Recent investigations reveal that ESC modulates critical signaling pathways, including NF-κB, Nrf2/antioxidant response element (ARE), and mitochondrial apoptotic cascades, across multiple disease contexts encompassing dermatology, metabolic disorders, cardiovascular disease, neurodegeneration, hepatorenal protection, and malignant transformation. Structural modification of the coumarin ring system yields derivatives with enhanced target selectivity and improved metabolic stability in select compounds. However, ESC is substantially limited by poor aqueous solubility, rapid phase II metabolism, and an estimated low oral bioavailability (5-15%), representing a critical barrier to therapeutic translation. Notably, no phase II/III clinical trials have been completed, and human safety and efficacy data remain virtually absent. Recent innovations, including cocrystal technology, nanoparticle formulations, and rational structural optimization, demonstrate promise in preclinical contexts. This comprehensive review synthesizes pharmacological evidence across disease indications, evaluates bioavailability enhancement strategies, explicitly discusses evidence limitations, addresses safety considerations, and outlines translational research priorities essential for clinical or nutraceutical development. Nutraceutical ; Bioavailability ; Coumarin ; Drug discovery ; Clinical trial ; Prodrug ; Disease ; Translational research Crystallography and molecular interactions ; Curcumin's Biomedical Applications ; Phytochemicals and Antioxidant Activities
Authors: A. J. Allen | E. Cockayne | W. Wong-Ng | J. Ilavsky | I. Kuzmenko
Source: Acta Crystallographica Section A Foundations and Advances (article, 2026-03-30)
Field: Chemistry — Inorganic Chemistry

Insights on new gas sorbents from <i>in situ</i> X-ray scattering and density functional theory By combining in situ scattering measurements at the Advanced Photon Source (APS), [1] namely microstructural characterization using ultra-small-angle and small-angle X-ray scattering (USAXS, SAXS) and structural characterization using wide-angle X-ray scattering (WAXS) including X-ray diffraction (XRD), all under various gas/pressure/temperature conditions, with density functional theory (DFT) calculations, key insights were drawn for CO 2 sorption behaviour in a 1dimensional (1D) porous coordination polymer (PCP): catena-bis(dibenzoylmethanato)-(4,4'-bipyridyl)nickel(II), denoted NiDBM-Bpy.It was shown that the 1D NiDBM-Bpy chains are held together by van der Waals forces and sorbed guest molecules preferentially occupy the spaces between the chains.The flexible structure variation was measured as a function of gas pressure, composition, and temperature, with both mixed gas flow and supercritical CO 2 regimes explored experimentally.It was further shown, when the precise structure varies with guest sorbate molecules, and may not even be fully known, DFT models of energy level can be used to predict gas sorption effects and structure changes indicated by XRD pattern variation.By comparing XRD pattern predictions with the corresponding experimental results, different scenarios could be selected or ruled out, thus providing insights on structures not available directly from single-crystal XRD studies under gas pressure conditions of interest.Meanwhile, corresponding USAXS/SAXS studies revealed microstructure motifs associated with organization of adsorbed CO 2 molecules within void spaces of the NiDBM-Bpy structure over extended length scales. Density functional theory ; Scattering ; Sorption ; Characterization (materials science) ; van der Waals force ; Supercritical fluid ; Molecule ; Void (composites) Metal-Organic Frameworks: Synthesis and Applications ; Phase Equilibria and Thermodynamics ; Covalent Organic Framework Applications