jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhengang Wang | Huanmei Han | Hongxia Li | Wenjuan Xu | Kuiying Ding
Source: Frontiers in Pharmacology (article, 2026-01-30)
Field: Chemistry — Analytical Chemistry

Development of an LC-MS/MS method for amantadine detection in human plasma using ZIF-8 as adsorbent and pharmacokinetic investigation In this study, a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and validated for the quantitative determination of amantadine in human plasma, with the incorporation of an internal standard to improve analytical accuracy. Plasma samples collected from volunteers were processed using acetonitrile-methanol (3:1, v/v) as the extraction solvent, followed by protein precipitation and purification via the QuEChERS (Quick, Easy, Cheap, Efficacious, Rugged, and Safe) method. Analysis was performed using LC-MS/MS under multiple reaction monitoring mode, with a total run time of 8 min. Quantification was carried out using the internal standard method. After a single oral administration of 200 mg amantadine hydrochloride, plasma concentrations were measured at various time points. Pharmacokinetic parameters were derived by fitting the data to a pharmacokinetic model using specialized software. The results demonstrated good linearity over the range of 0.5-20 ng/mL, with a correlation coefficient (R<sup>2</sup>) of 0.9978. The extraction recovery ranged from 94.5% to 110.1%, and both intra-day and inter-day relative standard deviations (RSD) were below 10%. The limit of detection (LOD) and limit of quantification (LOQ) were 0.15 ng/mL and 0.5 ng/mL, respectively. The absorption and elimination processes of amantadine in plasma followed first-order kinetics, with R<sup>2</sup> > 0.9. Notably, gender-specific differences were observed in the time to maximum concentration (T<sub>max</sub>) and maximum concentration (C<sub>max</sub>): females achieved a C<sub>max</sub> of 670.23 ng/mL at 4 h, whereas males reached a C<sub>max</sub> of 650.87 ng/mL at 8 h. This LC-MS/MS method is simple, rapid, and accurate, rendering it suitable for pharmacokinetic studies of amantadine in humans. Additionally, the established kinetic model provides valuable references for clinical medication guidance. Pharmacokinetics ; Detection limit ; Protein precipitation ; Amantadine ; Extraction (chemistry) ; Analyte ; Mass spectrometry ; Human plasma Analytical Methods in Pharmaceuticals ; Pharmaceutical Quality and Counterfeiting ; Pharmacological Effects and Assays
Authors: Hamza Coban | Alfredo Alexander-Katz
Source: arXiv (Cornell University) (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

SAFT-P: A plaquette level perturbation for self-assembly in patchy colloids We introduce SAFT-P, a plaquette-level extension of Statistical Associating Fluid Theory for patchy particles. By treating local clusters as associating superparticles and contracting their free energy back to monomer densities, SAFT-P retains information about patch topology that is lost in conventional SAFT. Grand-canonical Monte Carlo simulations of binary and ternary mixtures show that SAFT-P captures topology-dependent critical points and coexistence curves and discriminates between particles with identical valence but different patch layouts. Beyond topology, incorporating plaquette-scale correlations also improves predictions in regimes where patch specific interactions are absent. Results indicate that resolving correlations at the plaquette scale provides an analytical route to model complex condensates and self-assembly with topology-sensitive local structure. Binary number ; Monte Carlo method ; Perturbation theory (quantum mechanics) ; Perturbation (astronomy) ; Ternary operation ; Topology (electrical circuits) ; Scale (ratio) ; Valence (chemistry) Pickering emulsions and particle stabilization ; Block Copolymer Self-Assembly ; Micro and Nano Robotics
Authors: Christiana Subaar | Ziem Samuel Aanoneda | Sylivia Boateng | Emmanuella Konadu Amaniampong | Philimon Adjei
Source: ArXiv.org (article, 2026-01-15)
Field: Materials Science — Materials Chemistry

Radiation Shielding Performance of Different Concrete Materials: A Systematic Review Background: Concrete is one of the most-used material today in nuclear, medical, and industrial applications for radiation shielding due to its economic advantages and availability together with its structural performance. However, differences in the use of aggregates, density, and other additives affect radiation attenuation efficiency. It is therefore necessary to understand and compare shielding properties of various concrete formulations for the optimization of safety and performance in radiation-prone environments. Methods: Using Preferred Reporting Items for Systematic reviews and Meta-Analyses (PRISMA) guidelines, a literature search was performed across PubMed, Scopus, ScienceDirect, and Google Scholar. 17 peer-reviewed studies published between 2010 and 2025 were analysed systematically. Data was extracted based on material composition, density, radiation type, energy range, attenuation coefficients, and shielding efficiency. The obtained results were compared to find the trend in performance and optimization of the considered materials. Conclusion: Radiation shielding efficiency of concrete is dependent on its density, microstructural characteristics and type of aggregate. For superior performance in a mixed radiation field, Heavy and boron-rich additives can be added. Newly developed UHPCs and nano-engineered concretes are lightweight, durable, and environmentally friendly options for shielding materials compared to traditional ones. Further studies are needed to focus on the standardization of test methods, validation of long-term stability, and coupling computational modelling with experimental data in order to guide material design for applications featuring enhanced radiation shielding. Electromagnetic shielding ; Radiation shielding ; Attenuation ; Environmentally friendly ; Radiation ; Standardization ; Material properties Radiation Shielding Materials Analysis ; Graphite, nuclear technology, radiation studies ; Radiation Therapy and Dosimetry
Authors: Onur Yucak | Deniz Uzunsoy | Halit L. Hoşgün
Source: Journal of Innovative Science and Engineering (JISE) (article, 2026-04-11)
Field: Materials Science — Polymers and Plastics

Utilizing Recovered Carbon Black as a Reinforcing Agent for Ethylene Propylene Diene Rubber Formulation The environmental risks caused by accumulated rubber wastes have increased the need of recovering these wastes rather than disposing of them. Pyrolysis of waste rubber is recognized as a promising technique. While pyrolysis products oil and gas have previously found industrial applications, there is currently a shortage of viable applications for the solid pyrolysis residue, recovered carbon black (RCB). This study examines the potential use of the RCB as a substitute for virgin carbon black (VCB) in Ethylene Propylene Diene (EPDM) rubber formulation. The goal of this research is to expand technical understanding about the use of the RCB as a green raw material in the rubber industry. In order to characterize the VCB and RCB, Scanning Electron Microscopy (SEM), Energy dispersive X-ray (EDX), Fourier Transform Infrared (FTIR) analyses, and standard test methods were used. The compounds were produced by replacing the VCB with RCB in the EPDM matrix at various loadings. The influence of the RCB addition on the rheological, physical, mechanical and thermal properties of the EPDM composites was evaluated and compared to those formed with the only VCB. The RCB filled compounds usually show detectably inferior properties compared to the only VCB filled compound due to more impurity content, less active surface area, and limited surface functionality of the RCB filler. Although, the VCB can’t be completely replaced by the RCB, the results showed that overall performance of the 75-25 compound is better than the reference compound with 100% VCB filler. Moreover, the more RCB may be utilized in combination with the VCB depending on the permissible deviations from the properties of the end products. Carbon black ; Natural rubber ; Ethylene propylene rubber ; Economic shortage ; Pyrolysis ; Raw material ; Diene ; Ethylene Polymer Nanocomposites and Properties ; Polymer crystallization and properties ; Fiber-reinforced polymer composites
Authors: Devi Soorya Narayana Sasikumar | Rajesh Raju | Vidya Viswanad
Source: Oxygen (article, 2026-03-30)
Field: Materials Science — Materials Chemistry

Oxygen-Based Therapies and ROS-Targeted Drug Delivery in Pneumonia: A Redox Perspective Pneumonia, an acute inflammatory condition of the lung tissue, imposes a significant burden on global health and is characterized by a high rate of illness and death. The pathogenesis of the disease extends beyond infection to breakdown of redox hemostasis, where the excessive reactive oxygen species produced during the immune response inflict damage on the alveolar tissues and hence promote varying complications. This dual role of oxygen and oxidative mechanisms makes the management of pneumonia challenging, as the very oxygen that is vital for host defense, when not regulated, imposes severe lung damage. Antioxidant administration and oxygen therapy offer limited efficacy, mostly due to their non-specific action and iatrogenic harm from oxygen oversupply. These limitations are overcome by the use of emerging therapeutic strategies, which primarily focus on precision-targeted approaches. These include inhalable antioxidants, nanoparticle-based systems and biomaterials that are engineered to respond to local ROS concentrations, which aim to deliver the therapeutic agent directly to the inflamed regions of the lung. Calcium peroxide- and manganese dioxide-incorporating materials are being designed to modulate the oxygen levels, either by releasing it in hypoxic zones or scavenging it in hyperoxic microenvironments. This approach simultaneously addresses hypoxia and oxidative stress. Despite showing promising results in experimental and preclinical studies, complications related to product stability, regulatory compliance, and manufacturing scalability need to be addressed. Personalized treatment protocols, guided by biomarkers, involve the future generation of treatments, aiming to achieve a delicate recalibration of the lung’s oxidative environment for improved patient outcomes. Reactive oxygen species ; Oxidative stress ; Immune system ; Drug ; Drug delivery ; Hypoxia (environmental) ; Oxidative phosphorylation ; Antioxidant Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Neutrophil, Myeloperoxidase and Oxidative Mechanisms
Authors: Debanjon Sarker | Saidur Rahman Shakil | Nazmul Huda | Hridoy Roy | Manjushree Chowdhury | Md. Shahinoor Islam
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Biomaterials

Tannery solid waste generation trend and sustainable management techniques for commercialization The global rise in leather consumption has led to a significant increase in tannery solid waste (TSW), especially in developing countries where inadequate treatment practices pose serious environmental and public health risks. This study reveals that TSW generation has surged more than 100-fold over the past six decades, with production shifting predominantly to Asia. In this review, as a representative developing country, we outlined the details of the TSW generation scenario for Bangladesh and sustainable approaches to manage them, as it faces disproportionately severe impacts despite contributing less than 1% of global TSW. The review identifies major challenges in current management practices, including the inefficiency of direct disposal methods and the limited scalability of conventional dechroming techniques. Critical findings show that emerging valorization approaches, such as biodiesel production from fleshing, enzyme-assisted anaerobic co-digestion, which boosted biogas build-up to 81%, and low-temperature gasification, offer environmentally sound and commercially viable alternatives. Likewise, pyrolysis and immobilization strategies demonstrate potential for both energy recovery and resource stabilization. The study also proposes a context-sensitive hypothetical circular economy model for TSW management, integrating technological pathways with socio-economic indicators to support long-term sustainability. Ultimately, this review offers strategic insights for transitioning from linear to circular waste management frameworks. It emphasizes the importance of policy reform, stakeholder collaboration, and future research focused on Life Cycle Assessment (LCA) and Techno-Economic Analysis (TEA). The proposed framework aligns with multiple Sustainable Development Goals, including SDG 3 (Good Health and Well-being), SDG 7 (Affordable and Clean Energy), and SDG 15 (Life on Land), providing a pathway toward safer, inclusive, and globally certified tannery practices. Commercialization ; Context (archaeology) ; Circular economy ; Resource (disambiguation) ; Resource recovery ; Sustainable development ; Municipal solid waste ; Resource use Collagen: Extraction and Characterization ; Food Waste Reduction and Sustainability ; Bioeconomy and Sustainability Development
Authors: Batuhan Yardımcı | Sinem Çolak | Jülide Yener
Source: Arabian Journal of Chemistry (article, 2026-02-16)
Field: Chemistry — Analytical Chemistry

Effective and promising feasibility study: Determination of marker ions for the separation of water samples according to regions by chemometric method combined with ion chromatography Anion and cation concentration data analyzed in drinking water can be very useful in source identification with multivariate statistical methods. In this study, anions and cations were analyzed in samples collected from four regions by ion chromatography (IC). The effects of seasons and regions on ion concentrations were analyzed by variance analysis (ANOVA). Multivariate statistical methods such as principal component analysis (PCA), discriminant analysis (DA), and hierarchical cluster analysis (HCA) were used in the study. In the DA, the percentage of classification of the samples to the original regions was found to be 91.7%. HCA results revealed that Na + , Mg 2+ , and Ca 2+ ions exhibited very similar behavior. In the PCA analysis, PC1 and PC2 explained 68.3% of the total variance for anions, 95.3% for cations, and 99.7% for Ca 2+ , Mg 2+ , and Na + . It has been observed that different water supply sources can be distinguished using Ca 2 ⁺, Mg 2 ⁺, and Na⁺ cations, and it is also possible to differentiate regions belonging to the same source. Differences in ion concentrations may be caused by the chemicals used during treatment, the geological structure of the region, and seasonal effects. However, this study has demonstrated that chemometric techniques combined with IC can identify the source of drinking water samples when their regional origin is unknown. Principal component analysis ; Ion chromatography ; Linear discriminant analysis ; Ion ; Multivariate statistics ; Chemometrics ; Analytical Chemistry (journal) Analytical chemistry methods development ; Analytical Chemistry and Chromatography ; Water Treatment and Disinfection
Authors: Xinhua Zhu | Yanyu Wang | He Huang | Y Zhang | Xuhong Jia | Maoyong Zhi
Source: Frontiers in Chemistry (article, 2026-01-30)
Field: Chemistry — Organic Chemistry

Synthesis, characterization and surface properties of an organosilicon surfactant In order to explore alternative substances for traditional fluorocarbon surfactants while maintaining high surface activity, this study successfully designed and synthesized an organosilicon surfactant (SiCH) containing a hydroxyl quaternary ammonium salt. Its molecular structure was confirmed by Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR), and mass spectrometry (MS). This surfactant exhibits excellent thermal stability, with an initial decomposition temperature of 167 °C and minimal residue at high temperatures. The critical micelle concentration (CMC) and the surface tension (<i>γ</i> <sub>CMC</sub>) at the CMC of SiCH are 9.10 mmol/L and 22.81 mN/m, respectively. The organosilicon surfactant-sodium hexanesulfonate (SiCH-SHS) exhibits significant synergistic effect, reducing the CMC and <i>γ</i> <sub>CMC</sub> to 6.88 mmol/L and 21.03 mN/m respectively. The area occupied by a single surfactant molecule at the air/water interface (<i>A</i> <sub>S</sub>) of the SiCH-SHS is 1.24 nm<sup>2</sup>, and the pC<sub>20</sub> is 2.91. The size distribution of SiCH is unimodal, and they can self-assemble into non-uniform sized spheroidal aggregates (122-295 nm). Moreover, the thermodynamic process of micelle formation of the surfactant was studied through conductivity tests conducted at different temperatures (298.15 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>-</mml:mo></mml:mrow> </mml:math> 303.15 K). Thermodynamic analysis indicates that micellization is a spontaneous ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msubsup><mml:mrow><mml:mo>Δ</mml:mo> <mml:mi>G</mml:mi></mml:mrow> <mml:mi>m</mml:mi> <mml:mn>0</mml:mn></mml:msubsup> </mml:mrow> </mml:math> <0), entropy-driven process. Organosilicon ; Pulmonary surfactant ; Thermodynamics of micellization ; Critical micelle concentration ; Surface tension ; Fourier transform infrared spectroscopy ; Micelle ; Fluorocarbon Surfactants and Colloidal Systems ; Polymer Surface Interaction Studies ; Advanced Polymer Synthesis and Characterization
Authors: Satish Geeri | Gantyada Amaladevi
Source: International Journal of Research in Engineering Science and Management (article, 2026-04-12)
Field: Materials Science — Materials Chemistry

Machine Learning-Based Analysis for Thermal Properties of MWCNTs/Polymer Composites This article discusses thermal prediction and data-based prediction of E-glass fiber polymer composites reinforced with multi-walled carbon nanotube (MWCNT). The hand lay-up technique was used to make the laminates by the use of woven roving E-glass mats oriented at 0º/90º, 0º/45, and 0º/135º. The volume fractions of MWCNTs into the polymer matrix were 0%, 1%, 3%, 5% and 7%, which developed fifteen different composite configurations. The Thermogravimetric Analysis (TGA) was used to find out the thermal properties of the material including weight loss, degradation and decomposition behavior. These findings indicate that the orientation of fibers and MWCNT content are crucial determinants of thermal stability and that increased resistance exists at maximized filler loadings. A number of machine learning models were developed and trained using experimental data to increase predictive power. The performance of the models was measured using standard evaluation metrics and the importance of features analysis was conducted to identify important parameters on the thermal behavior. The integrated experimental and machine learning method offers a developed framework to predict thermal properties and optimize composite design, valuable information to be used in the advanced structural and thermal applications. Thermogravimetric analysis ; Thermal ; Thermal stability ; Composite number ; Carbon nanotube ; Polymer ; Matrix (chemical analysis) ; Fiber ; Thermal resistance Carbon Nanotubes in Composites ; Thermal properties of materials ; Natural Fiber Reinforced Composites
Authors: Yaxi Han | Ling Zhu | X. Y. Zhang | K. Q. Wang | Dixin Sha | Qing Chen | Xinmiao Yao | Ye Zhou | Bo Li | Lijun Guan
Source: Frontiers in Nutrition (article, 2026-02-16)
Field: Materials Science — Materials Chemistry

Green synthesis, characterization, and anticancer activity of silver nanoparticles via Pulsatilla koreana root extract A green synthesis route for silver nanoparticles (Pk-AgNps) has been successfully developed using <i>Pulsatilla koreana</i> root extract as both reducing and stabilizing agent. Optimal synthesis conditions of 80 °C for 60 min produced nanoparticles characterized by a distinct surface plasmon resonance (SPR) peak at 464 nm. Comprehensive characterization through field-emission transmission electron microscopy (FE-TEM), X-ray diffraction analysis (XRD), and Fourier transform infrared analysis (FTIR) confirmed the formation of quasi-cubic, polycrystalline nanoparticles in the size range of 80-100 nm, stabilized by phytochemical constituents from the extract. The synthesized Pk-AgNps demonstrated significant bioactivities including concentration-dependent antioxidant capacity and potent antibacterial effects against both Gram-positive and Gram-negative bacteria. Furthermore, the nanoparticles exhibited selective cytotoxicity against human cancer cell lines, with particular efficacy against A549 lung cancer cells. Mechanistic studies revealed that this anticancer activity involves Reactive oxygen species (ROS)-mediated apoptosis through suppression of the EGFR/MAPK signaling pathway and regulation of Bcl-2/Bax expression. These multifunctional properties of Pk-AgNps as a promising candidate for further exploration in functional food and biomedical applications. Silver nanoparticle ; Cytotoxicity ; Surface plasmon resonance ; Nanoparticle ; Reactive oxygen species ; Phytochemical ; Antioxidant Nanoparticles: synthesis and applications ; Phytochemical compounds biological activities ; Synthesis of Organic Compounds