jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zahraa Sabah Ghnim | Ayat Hussein Adhab | M. Sudhakara Reddy | Girish Chandra Sharma | Haider Radhi Saud | Debasish Shit | Sachin Jaidka | Pushpa Negi Bhakuni | Morug Salih Mahdi | Aseel Salah Mansoor | Usama Kadem Radi | Nasr Saadoun | Asgar Batuli
Source: Scientific Reports (article, 2025-04-03)
Field: Materials Science — Materials Chemistry

Crosslinking a nanocomposite by zirconium sulfate to synthesize a high-durable new-generation polymer gel Enhancing the stability of polymer gels under harsh conditions is vital for improving enhanced oil recovery (EOR) applications. This study introduces a novel gel synthesized using a MgO-HPAM nanocomposite and zirconium sulfate crosslinker (CL). The gel demonstrates exceptional durability, capable of maintaining its properties under high temperature and salinity, addressing long-standing challenges in EOR. The research involved several key experiments. Initial tests revealed that MgO does not influence gelation time; this is controlled by polymer and CL concentrations. The nanocomposite significantly improved the storage modulus, with increases of 72.47% and 84.52% at 250 and 500 ppm MgO, respectively. Syneresis studies showed that after 50 days, gels with 250 ppm nanocomposite retained 88% of their weight, unlike the nanocomposite-free gels which lost 75%. In core flooding experiments, nanocomposite gels demonstrated higher injection pressure and reduced permeability compared to nano-free gels. SEM imaging confirmed nanoparticle agglomeration in the sand face, enhancing the gel's barrier properties. Over 50 days at 90 °C and 2000 psi, permeability reductions were observed at 58%, 98.1%, and 97.9% across the samples. These findings underscore the potential of this gel in advancing EOR techniques. Nanocomposite ; Zirconium ; Polymer ; Materials science ; Sulfate ; Toughening ; Copolymer ; Chemical engineering ; Polymer science ; Polymer chemistry ; Nanotechnology ; Composite material ; Toughness ; Metallurgy ; Engineering Silicone and Siloxane Chemistry ; Polyoxometalates: Synthesis and Applications ; Mesoporous Materials and Catalysis
Authors: Varsha Gautam
Source: International Journal of Physics and Applications (article, 2025-07-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Probing elastic and dielectric properties in Liquid Crystals through Molecular Spectroscopy The electro-optical properties of liquid crystals are determined by the properties of electronic and dielectric. If the properties are suitable for a particular application, the performance of the liquid crystal will be optimal. When spectroscopic techniques are used in conjunction with computational and theoretical modelling to study liquid crystals, it is possible to gain valuable insight into the properties on a molecular scale while gaining an understanding of liquid crystal behaviour on a macroscopic scale. This study presents an overview of the principles and the theories related to elastic and dielectric liquids and examines how vibrational, rotational, and electronic spectroscopy can be used to determine the relationship between the molecular structure and the physical properties of the liquid crystals being studied. Molecular modelling, continuum modelling, and spectroscopy simulation techniques, which are specifically applicable to today&#39;s liquid crystal technologies are presented and discussed. Liquid crystal ; Dielectric ; Spectroscopy ; Molecular dynamics ; Crystal (programming language) ; Dielectric permittivity Liquid Crystal Research Advancements ; Molecular spectroscopy and chirality ; Nonlinear Photonic Systems
Source: International Research Journal of Modernization in Engineering Technology and Science (article, 2025-08-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Designing Multi-Scale Energy Storage Infrastructures Combining Electrochemical, Thermal, and Mechanical Systems for Sustainable Grid Decarbonization and Load Flexibility As global energy systems pivot toward high-penetration renewable sources, the need for robust, scalable energy storage solutions has become increasingly urgent.Variable generation from solar and wind poses significant challenges to grid stability, demanding a multi-pronged approach to energy buffering, dispatchability, and load flexibility.This paper proposes a multi-scale energy storage infrastructure that integrates electrochemical (batteries), thermal (molten salts, phase-change materials), and mechanical (pumped hydro, compressed air) systems to provide synergistic energy services across spatial and temporal scales.The framework leverages the complementary characteristics of each storage modality fast-response lithium-ion batteries for frequency regulation, thermal storage for medium-term load shifting, and mechanical systems for seasonal balancing and inertia support.A systems architecture is developed using a hybrid optimization model that minimizes lifecycle emissions and levelized cost of storage while satisfying operational constraints under varying demand and generation scenarios.Simulation results using a representative smart grid in sub-national Europe reveal that this integrative design achieves a 63% reduction in renewable curtailment and a 45% improvement in grid flexibility index compared to single-modality storage.The model incorporates geographic dispersion, state-ofcharge dynamics, and material lifecycle impacts, ensuring alignment with decarbonization and sustainability targets.Importantly, the infrastructure supports decentralized microgrid applications while also enabling national-scale load balancing.The proposed strategy underscores the importance of systems-level thinking in energy storage planning and provides actionable design principles for policy makers, utilities, and infrastructure investors.By holistically coordinating electrochemical, thermal, and mechanical assets, this approach lays the foundation for a resilient, low-carbon energy ecosystem. Flexibility (engineering) ; Energy storage ; Grid ; Thermal energy storage ; Scale (ratio) ; Electrochemical energy storage ; Grid energy storage ; Computer science ; Load shifting ; Environmental science ; Distributed generation ; Process engineering ; Materials science ; Renewable energy ; Electrochemistry ; Engineering ; Electrical engineering ; Supercapacitor ; Chemistry ; Power (physics) ; Electricity ; Physics ; Geology ; Thermodynamics Supercapacitor Materials and Fabrication
Authors: Candela Melendreras | Jesús Montero | José M. Costa‐Fernández | Ana Soldado
Source: Analytical and Bioanalytical Chemistry (article, 2025-10-18)
Field: Chemistry — Analytical Chemistry

Trends on vibrational spectroscopy tools in the agri-food sector Ensuring food safety and quality has become a critical priority in response to increasing global demand and regulatory requirements. To address these challenges, the food industry is demanding sensitive, selective, and robust analytical strategies. Among these, non-destructive spectroscopic sensors (NDSS), particularly those based on vibrational spectroscopy such as near infrared (NIR) and Raman spectroscopy, have demonstrated significant potential for rapid, in situ analysis of food matrices without compromising sample integrity. Current research efforts are focused on the miniaturization and cost-effective design of spectroscopic instrumentation, enabling the development of portable devices suitable for real-time food monitoring across the supply chain. In parallel, advanced chemometric techniques and machine learning algorithms are revolutionizing spectral data interpretation, enhancing model calibration, transferability, and predictive reliability. Artificial intelligence approaches in spectroscopic workflows facilitate the extraction of meaningful patterns from large and complex spectral datasets. Together, these advanced vibrational proposals are converging toward the realization of intelligent, real-time decision-making systems that support sustainable, efficient, and safe food production and distribution, redefining the standards of food quality control in modern agri-food systems. Miniaturization ; Workflow ; Food industry ; Raman spectroscopy ; Quality (philosophy) ; Chemometrics ; Food supply ; Infrared spectroscopy ; Sample (material) Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Rahul Amin Sheikh | Danie Kingsley
Source: Asia-Pacific Journal of Molecular Biology and Biotechnology (article, 2025-12-05)
Field: Materials Science — Biomaterials

Harnessing plant-based nanoparticles for therapeutic intervention in triple-negative breast cancer: Current insights and future directions Triple-negative breast cancer (TNBC) presents a formidable clinical challenge owing to its high aggressiveness, molecular heterogeneity, and lack of effective targeted therapies. Nanotechnology-enabled drug delivery systems have emerged as a transformative strategy to enhance therapeutic precision and overcome conventional treatment limitations in TNBC. This review provides a comprehensive analysis of plant-based nanoparticles, biocompatible, eco-friendly, and inherently cytotoxic against cancer cells, focusing on their green synthesis, physicochemical characterization, and surface functionalization techniques. We examine both active targeting (e.g., folate, EGFR, CD44 ligands, aptamers) and passive targeting via the enhanced permeability and retention (EPR) effect, elucidating mechanisms that enable selective accumulation in TNBC subtypes. Recent in vitro and in vivo studies are critically evaluated, highlighting pharmacokinetics, biodistribution profiles, and synergistic anticancer efficacy when combined with immunotherapy, radiotherapy, or chemotherapeutics. Advances in AI-driven nanoparticle design, biomarker-guided patient stratification, and digital health integration for real-time treatment monitoring are discussed as future directions. Key translational hurdles—scalable manufacturing, regulatory approval, and clinical trial design are addressed, alongside strategies for companion diagnostics using ctDNA and TIL profiling. The convergence of green nanomedicine and precision oncology underscores the potential of plant-derived nanosystems to revolutionize TNBC treatment. Nanomedicine ; Breast cancer ; Clinical trial ; Nanocarriers ; Drug delivery ; Transformative learning ; Biodistribution ; Targeted drug delivery Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Nanoparticles: synthesis and applications
Authors: Essa Ahsan Khan | Narayan Prasad Tiwari | A. Agnihotri | Garima Awasthi
Source: International Journal of Biological Innovations (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

BIOREMEDIATION AND ADVANCED RESEARCH FOR DEGRADATION OF DYES Synthetic dyes are extensively used in industrial processes such as textiles, paper manufacturing, plastics, and food coloring, resulting in significant environmental pollution. Dealing dye-containing wastewater into aquatic ecosystems leads to severe consequences, including water contamination, reduced light penetration, and toxicity to marine organisms. Due to their complex aromatic structures, synthetic dyes exhibit high chemical stability and resistance to conventional degradation processes, making their removal from wastewater a pressing concern. The current review focuses on biological treatment, which includes the degradation of dyes by using microbial strains, enzymes, enzymatic mechanisms, metabolic pathways, and environmental factors that influence microbial dye degradation. Bacterial strains such as Pseudomonas, Bacillus and Acinetobacter have shown significant potential in breaking down complex dyes through enzymatic actions involving oxidoreductases, peroxidases, laccases, and azoreductases. Additionally, fungi and yeast contribute to dye degradation through biosorption and extracellular enzymatic activities. The advance technologies can be approached for the biodegradation of dyes such as genetic engineering, enzyme immobilization, metabolic engineering, and nanotechnology by focusing on pathway analysis. More researches are required to challenges the existing dye problem and find future perspectives in the field. Advance technologies for microbial degradation, can develop more effective and environmentally friendly treatment strategies to mitigate dye pollution and ensure sustainable wastewater management. Bioremediation ; Degradation (telecommunications) ; Environmental chemistry ; Environmental science ; Chemistry ; Biochemical engineering ; Computer science ; Engineering ; Contamination ; Biology ; Ecology ; Telecommunications Dye analysis and toxicity
Authors: Arpita Saha | S. Maity | Ratan K. Saha
Source: International Journal of Research Publication and Reviews (article, 2025-11-01)
Field: Materials Science — Materials Chemistry

Nanoparticle-Driven Advances in Biotechnology: A Cross-Disciplinary Review of Applications in Health, Agriculture, and the Environment Nanotechnology has emerged as a transformative force in modern biotechnology, offering unprecedented tools to manipulate biological systems at the nanoscale.Among its many innovations, engineered nanoparticles have demonstrated remarkable potential in reshaping approaches to healthcare, agriculture, and environmental management.This review provides a comprehensive, cross-disciplinary synthesis of recent advancements in nanoparticle-based applications, highlighting their multifaceted roles in targeted drug delivery, precision diagnostics, smart agrochemical formulations, and eco-friendly remediation strategies.In biomedical sciences, nanoparticles facilitate site-specific therapeutics, enhance bioavailability, and enable non-invasive imaging platforms, thereby contributing to early disease detection and personalised medicine.In agricultural biotechnology, nano-enabled fertilisers, pesticides, and seed treatments are revolutionising crop productivity while minimising ecological burden.Similarly, in environmental domains, nanoparticles offer efficient solutions for pollutant degradation, heavy metal sequestration, and water purification, aligning with the principles of sustainability and green chemistry.The review further explores the functional properties and surface modifications that govern nanoparticle behaviour in biological and ecological contexts, along with critical considerations surrounding biosafety, toxicity, and regulatory frameworks.Despite significant progress, challenges such as long-term environmental fate, standardisation of toxicity assessments, and scale-up barriers remain unresolved.Future trajectories emphasise the convergence of nanotechnology with synthetic biology, artificial intelligence, and precision engineering to unlock next-generation biotechnological innovations.Through this interdisciplinary lens, the review underscores the necessity of collaborative research and responsible integration of nanoparticle-based technologies to address global challenges in health, agriculture, and the environment. Work (physics) ; Identification (biology) ; Key (lock) ; Context (archaeology) ; Focus (optics) Nanoparticles: synthesis and applications ; Polymer-Based Agricultural Enhancements ; Nanoparticle-Based Drug Delivery
Authors: Fabian Resare | Somiya Islam Soke | Witlef Wieczorek
Source: ArXiv.org (preprint, 2025-08-19)
Field: Materials Science — Surfaces, Coatings and Films

Modification of adhesion between microparticles and engineered silicon surfaces A key challenge in performing experiments with microparticles is controlling their adhesion to substrates. For example, levitation of a microparticle initially resting on a surface requires overcoming the surface adhesion forces to deliver the microparticle into a mechanical potential acting as a trap. By engineering the surface of silicon substrates, we aim to decrease the adhesion force between a metallic microparticle and the silicon surface. To this end, we investigate different methods of surface engineering that are based on chemical, physical, or physio-chemical modifications of the surface of silicon. We give quantitative results on the detachment force, finding a correlation between the water contact angle and the mean detachment force, indicating that hydrophobic surfaces are desired for low microparticle adhesion. We develop surface preparations decreasing the mean detachment force by more than a factor of three compared to an untreated silicon surface. Our results will enable reliable levitation of microparticles and are relevant for experiments requiring low adhesion between microparticles and a surface. Microparticle ; Adhesion ; Silicon ; Levitation ; Surface modification ; Surface (topology) ; Surface force Surface Modification and Superhydrophobicity
Authors: Andrey V. Tokar | Анатолій Ф. Булат | Oleksandr Burchak
Source: Journal of Chemistry and Technologies (article, 2025-10-19)
Field: Materials Science — Materials Chemistry

КВАНТОВО-ХІМІЧНІ КРИТЕРІЇ ЕФЕКТИВНОСТІ МІЖМОЛЕКУЛЯРНИХ ВЗАЄМОДІЙ У КОМПЛЕКСНИХ СИСТЕМАХ «МЕТАН/КАРБОН ДІОКСИД – АРОМАТИЧНІ ВУГЛЕВОДНІ» ВИКОПНОГО ВУГІЛЛЯ За допомогою ab initio методів функціоналу густини досліджено особливості міжмолекулярних взаємодій, що виникають у комплексних системах на основі метану та карбон діоксиду за участю модельних ароматичних вуглеводнів, які входять до складу вуглефікованої викопної органіки. Детальний топологічний аналіз цих систем у межах QT-АІМ теорії Р. Бейдера на прикладі молекулярних комплексів СН4 × С6Н6, СН4 × С10Н8, СН4 × 2С10Н8, а також СО2 × С10Н8 продемонстрував наявність (3,–1) критичних точок зв’язків, що виникають на відстанях близько 3.089–3.533 Å, які можна цілком охарактеризувати як слабкі міжмолекулярні взаємодії. В якості критеріїв ефективності такого зв’язування зручно застосовувати параметри електронної густини r(r) та лапласіана електронної густини Ñ2r(r), що в випадку досліджуваних структур не перевищують 0.0027–0.0036 е/Å3 та 0.0022–0.0034 е/Å5 відповідно, із загальною енергією стабілізації не більше, ніж 2.9–7.5 кДж/моль. Порівняльний аналіз розрахованих термодинамічних характеристик цих систем за умов варіювання параметрів температури та тиску свідчить про незначний внесок ентальпійного фактору із перевагою на користь ентропійної складової за рахунок зміни поступальних, обертальних та коливальних ступенів свободи окремих молекул. Відповідні частоти резонансних коливань становлять ~3162–3170 см–1. Результати розрахунків добре узгоджуються з даними такого типу, одержаними для споріднених систем, та свідчать про адекватне їх відтворення в межах обраного розрахункового наближення. Context (archaeology) ; Point (geometry) ; Identification (biology) ; Object (grammar) Thermal Expansion and Ionic Conductivity ; Thermodynamic and Structural Properties of Metals and Alloys ; Advanced Materials and Semiconductor Technologies
Authors: Etienne Palos | Heng Zhao | Kimberly J. Daas | Eduardo Fabiano | Francesco Paesani | Stefan Vuckovic
Source: ChemRxiv (preprint, 2025-05-01)
Field: Chemistry — Spectroscopy

Møller-Plesset Adiabatic Connection Theory for Diverse Noncovalent Interactions Møller–Plesset adiabatic connection (MPAC) theory provides a powerful framework for constructing approximations to wavefunction-based correlation energy, enabling modeling of non- covalent interactions (NCIs) with near-CCSD(T) accuracy. We show that approximate MPAC functionals consistently outperform MP2 and dispersion-corrected DFT (DFT+DISP) across diverse systems, including charged and charge-transfer complexes. MPAC functionals oper- ate holistically at the electronic level, require no heuristic dispersion corrections, and achieve near-chemical accuracy even for abnormal NCIs, cases where DFT+DISP errors exceed those of DFT. To further improve MPAC for abnormal cases without compromising overall perfor- mance, we introduce MPAC25, a simple two-parameter functional treating neutral and charged NCIs equally, as demonstrated on DES15K benchmarks. Overall, MPAC functionals effec- tively describe a wide range of NCIs, including those beyond the reach of other methods, rep- resenting a significant step toward predictive simulations of molecular interactions in complex environments and motivating further MPAC developments. Møller–Plesset perturbation theory ; Connection (principal bundle) ; Adiabatic process ; Non-covalent interactions ; Physics ; Chemistry ; Statistical physics ; Mathematics ; Quantum mechanics ; Molecule ; Geometry ; Perturbation theory (quantum mechanics) ; Hydrogen bond Molecular spectroscopy and chirality ; Spectroscopy and Quantum Chemical Studies ; Advanced Chemical Physics Studies
Authors: Necati Çetin | Onur Okumuş | Satı Uzun | Mahmut Kaplan | Ahmad Jahanbakhshi | Gniewko Niedbała
Source: Agriculture (article, 2025-11-22)
Field: Chemistry — Analytical Chemistry

Comprehensive Quality Analysis of Common Vetch (Vicia sativa L.) Varieties Using Image Processing Techniques and Artificial Intelligence Common vetch (Vicia sativa L.) is a cool-season annual legume cultivated for grain and forage, valued for its high nutrient content, broad edaphoclimatic adaptability, and suitability for crop rotations. Physical seed attributes are critical for variety classification, quality evaluation, and breeding selection. This study aimed to characterize the nutritional composition, mineral contents, and physical attributes of nine common vetch varieties and to assess the feasibility of binary variety classification using supervised machine learning (ML). Proximate analyses (e.g., crude protein, tannin), macro/micro minerals, and morpho-physical seed descriptors were determined. Multivariate and discriminant analyses were conducted. Binary classifiers were developed with a multilayer perceptron (MLP) and random forest (RF) under stratified 10-fold cross-validation. The highest values were observed for crude protein (22.66%, Alper), ADF (11.36%, Alınoğlu), NDF (16.47%, Alperen), and tannin (3.12%, Alınoğlu). For mineral profiles, Alper, Ankara Moru, and Doruk emerged as prominent varieties. In pairwise discrimination, Ankara Moru vs. Ayaz achieved 89% (MLP) and 90% (RF) accuracy, followed by Ankara Moru vs. Özveren with 88% (MLP) and 90.50% (RF). These results demonstrate that MLP and RF can classify common vetch varieties from physical attributes with high reliability. Integrating compositional, mineral, and morpho-physical data with supervised learning provides an objective, low-cost pathway for variety identification. The approach has direct implications for quality assessment, planting system design, and breeding. Future work should expand datasets, incorporate color-rich/hyperspectral cues, and compare feature-based models with domain-adapted deep learning on larger, multi-site collections. Multilayer perceptron ; Random forest ; Linear discriminant analysis ; Sowing ; Legume ; Principal component analysis ; Deep learning ; Pattern recognition (psychology) Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Genetic and Environmental Crop Studies