jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Paul Tautorat | Benedetta Tremolada | Antonio J. Martín | Lucas F. Santos | Gonzalo Guillén‐Gosálbez | Javier Pérez‐Ramírez | Bjarne Steffen
Source: Green Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A global analysis of the rise, reign, and retreat of topics in research toward sustainable platform chemicals Platform chemicals-such as olefins, ammonia, aromatics, and methanol-serve as fundamental building blocks for the chemical industry. At the same time, they account for 4% of global CO<sub>2</sub> emissions, highlighting the need for renewable feedstocks, renewable energy, or other alternative approaches to develop more sustainable production routes toward carbon neutrality. Despite substantial research output, we lack a holistic understanding of where innovation is heading. This gap leaves research planning and policy decisions without a quantitative basis for understanding the directions of innovation. A better understanding of how they differ between platform chemicals is critical for delineating policies and strategic plans toward a net-zero future. Our study addresses this gap by providing unprecedented clarity on global research trends in platform chemicals spanning the last three decades since the establishment of the Green Chemistry principles and other subsequent sustainability approaches for chemical systems, showing the rise, reign, and retreat of topics in this area. For this purpose, we develop a novel approach by integrating topic modelling, generative AI, and expert judgment to analyse >90 000 research articles from Scopus, identifying 62 distinct research topics and tracking their temporal and geographical trends. Our results reveal different innovation patterns across the four platform chemicals. Driven by the concepts of an ammonia or methanol economy, research output has increased for these platform chemicals by a factor of 17 and 6 between 2000 and 2024, respectively. This growth has been led by new strategies like photo- and electrochemical routes, which now account for approximately 65% of ammonia-related research. For olefins and aromatics, innovation patterns show less momentum as research has rather focused on optimising available technologies. Reliance on existing alternative routes (based on renewable methanol) and olefins and aromatics' molecular complexity could explain this lower momentum. Our quantitative findings can help define research priorities for green chemistry and derive the implications of emerging technological trends on industrial systems regarding future electricity, biomass, and feedstock demand. CLARITY ; Sustainability ; Renewable energy ; Production (economics) ; Government (linguistics) ; Sustainable development Machine Learning in Materials Science ; Green IT and Sustainability ; CO2 Reduction Techniques and Catalysts
Authors: Mustansar Abbas
Source: Kashf Journal of Multidisciplinary Research (article, 2025-09-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

IRON OXIDE BASED NANOCOMPOSITES AS ELECTRODE MATERIAL FOR SUPERCAPACITORS Supercapacitors (SCs) are an extremely effective and environmentally friendly type of electrochemical energy storage devices that have gained a lot of attention as an alternative for batteries. The limited electrical conductivity of a supercapacitor must be greatly boosted in order to facilitate rapid charging and discharging. Among the diverse electrode materials examined, iron oxide compounds have attracted extensive investigation as promising anode constituents for supercapacitors owing to their broad operating potential range under negative bias, exceptionally high theoretical gravimetric capacity, favorable redox kinetics, natural abundance, and environmental friendliness. However, iron oxides continue to struggle with deficiencies of inadequate longevity and weak conductivity. This survey aims to recapitulate recent breakthroughs involving iron oxide-derived nanostructures, such as carbon-coated iron oxides (C@Fe2O3) and nickel and carbon-coated iron oxide (Ni@C@Fe2O3) that exhibit utility as electrode components for supercapacitors. Supercapacitors show great promise for applications in portable electronics and wearable technology. Iron oxide nanomaterials can be engineered into versatile electrode composites with properties well-suited to these uses. When configured as all-solid-state or transparent, flexible assemblies, such supercapacitors leverage the wide-ranging capabilities of their constituent nanoscale components. Continued progress in the synthesis of multicomponent nanocomposites will likely guide future leaps toward increasingly powerful and durable energy storage solutions. Supercapacitor ; Nanocomposite ; Iron oxide ; Oxide ; Energy storage ; Nanomaterials ; Anode ; Electrode Supercapacitor Materials and Fabrication ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry
Authors: Lucas Almeida | Renata Souza
Source: Pharmaceutical Sciences and Drug Design (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

N-Substituted Indole-2-carboxylates Bearing Rhodanine Moiety: Design, Synthesis, and Evaluation as Antimicrobial Agents with In Silico Insights Seventeen novel derivatives of (Z)-methyl 3-(4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-1H-indole-2-carboxylate were synthesized and tested for antimicrobial properties. These compounds demonstrated remarkably potent antibacterial activity against eight different bacterial strains, significantly outperforming the standard antibiotics ampicillin and streptomycin by factors of 10 to 50. Compound 8 was identified as the most effective antibacterial agent. Furthermore, the compounds showed good to Antimicrobial ; Rhodanine ; In silico ; Streptomycin ; Antibiotics ; Ampicillin Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Anna Czajkowska | Łukasz Szczerbiński | Macin Czajkowski | Anna Citko-Rojewska | Paulina Konopka | Agnieszka Błachnio‐Zabielska | Adam Krętowski | Piotr Zabielski
Source: Research Square (preprint, 2025-04-23)
Field: Chemistry — Spectroscopy

Ion-chromatogram libraries assembly in DIA proteomic analysis of post-exercise skeletal muscle in prediabetic subjects Skeletal muscle ; Chemistry ; Chromatography ; Ion ; Computational biology ; Endocrinology ; Biology ; Organic chemistry Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Adipose Tissue and Metabolism
Authors: José Anderson Machado Oliveira | Jadson de Farias Silva | Josefa Aqueline da Cunha Lima | Josiane Dantas Costa | Arthur Filgueira de Almeida | Ana Regina Nascimento Campos | Renato Alexandre Costa de Santana
Source: Revista Interfaces Saúde Humanas e Tecnologia (article, 2025-04-16)
Field: Materials Science — General Materials Science

TECHNOLOGICAL STUDY AND MONITORING OF THE SURFACE FUNCTIONALIZATION OF THE Ni–Ti SHAPE MEMORY ALLOY WITH POLYMERIC COATING Ni–Ti shape memory alloys are generally applied to produce orthodontic and orthopedic implants. However, it is essential to highlight that implants may fail due to local inflammation caused by the accumulation of bacteria. Therefore, functionalizing the metal surface with biocompatible polymeric coatings is generally used to avoid implant failure. This article addresses a technological monitoring study of Ni–Ti shape memory alloys with surface functionalized with polymeric coatings, using patents as sources of information. The Questel Orbit® platform was used to collect the information, applying the following keywords as previous search terms: “nickel–titanium”, “Ni–Ti”, “Nitinol”, “Coated”, and “Polymer”. Among the areas of technologies related to the topic, the ones that stood out the most were the systems used to produce advanced biomedical devices for use in medicine, such as stents, plates, pins, and wires applied to orthodontic and orthopedic devices. Therefore, the results of this research show a general overview of the main innovations developed in the area and, therefore, can guide future research focused on developing systems formed by Ni–Ti alloys coated with polymers applied in different technological sectors. Surface modification ; Coating ; Materials science ; Alloy ; Surface (topology) ; Metallurgy ; Nanotechnology ; Chemical engineering ; Engineering ; Mathematics ; Geometry Material Properties and Applications ; Advancements in Materials Engineering ; Surface Treatment and Coatings
Authors: Beatrice Ruth Nathania Simanjuntak | W Wiji | Tuszie Widhiyanti
Source: Jurnal Penelitian Pendidikan IPA (article, 2025-07-25)
Field: Chemistry — Physical and Theoretical Chemistry

Systematic Literature Review: Three-Tier Diagnostic Test to Identifying Misconceptions in Chemistry This study presents a literature review on the use of the three-tier diagnostic test in identifying students’ misconceptions in chemistry and offers insights into its effectiveness in educational evaluation. A literature review of studies from 2019 to 2024 shows that 71.43% of these tests use close-ended questions due to their efficiency in terms of time, cost, and data analysis, compared to 28.57% that use open-ended questions. Research findings indicate that this test has successfully identified misconceptions in various chemistry topics, such as equilibrium, chemical bonding, ionization energy, and acids-bases. The ability of the three-tier diagnostic test to detect misconceptions makes it an effective tool for improving students’ conceptual understanding. The findings indicate that the three-tier diagnostic test has been widely used to uncover students’ conceptual difficulties across various chemistry topics. Its use has shown promise in supporting more accurate and in-depth assessments compared to traditional evaluation methods. The review suggests that this type of diagnostic testing can enhance the quality of formative assessments and contribute to improved instructional planning. Test (biology) ; Diagnostic test ; Chemistry ; Computer science ; Medicine ; Pediatrics ; Geology Various Chemistry Research Topics ; Science Education and Pedagogy ; Chemical Safety and Risk Management
Authors: Bhumit Lakra, Rohit Gill, Anju Malik
Source: Journal of Carcinogenesis (article, 2025-10-10)
Field: Chemistry — Analytical Chemistry

B[a]P in Food Products: Sources, Dietary Exposure, And Toxicity Benzo(a)pyrene (B[a]P), a highly carcinogenic polycyclic aromatic hydrocarbon (PAH), enters the food chain via environmental pollution, industrial activities, and cooking at high temperatures. This review compiles research on B[a]P contamination in plant-based foods, animal products, and beverages, emphasizing its widespread presence, particularly in smoked, grilled, and processed items. The data indicate that dietary exposure to B[a]P differs notably by region, with cereals, meats, and smoked foods serving as primary sources. Mechanistically, B[a]P triggers oxidative stress, DNA damage, and prolonged inflammation through metabolic activation by cytochrome P450 enzymes (CYP1A1, CYP1B1), resulting in mutations in critical oncogenes such as TP53 and Ki-Ras. Although regulatory thresholds for B[a]P in food are established, enforcement is often inconsistent, with some products surpassing safe limits. This study highlights the pressing need for stronger food safety regulations, increased public education, and innovative risk-reduction approaches, such as diets rich in antioxidants and healthier cooking methods, to mitigate health threats posed by B[a]P, including cancer, cardiovascular issues, and neurological damage. Toxicity ; Food safety ; Carcinogen ; Oxidative stress ; Food chain ; Processed meat ; Food products ; Food contaminant Dye analysis and toxicity
Authors: Nemanja Todorović | Aleksandra Ćoškov | Nebojša Andrić | Bojana Stanić | Boris Milijašević | Nataša Milošević | Slobodan Јаnkovic | Mladena Lalić‐Popović
Source: Hospital Pharmacology - International Multidisciplinary Journal (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Physiologically based pharmacokinetic and toxicokinetic modeling: A multidisciplinary approach to drug development and ecotoxicology Introduction: Physiologically based pharmacokinetic (PBPK) modeling is a powerful tool in pharmaceutical research and drug development, offering accurate predictions of drug absorption, distribution, metabolism, and elimination (ADME). This method, when extended to xenobiotics, enables the study of toxins and other substances through physiologically based toxicokinetic (PBPT) models. Methodology: This narrative review outlines recent applications of PBPK and PBTK modeling in drug development and ecotoxicology, based on literature retrieved from PubMed, Scopus, and Web of Science. Topic: By incorporating physiological and biochemical data, PBPK models provide more precise simulations that closely resemble in vivo conditions. Advances in technology have improved the feasibility of these models, making them increasingly valuable for predicting drug behavior, as well as for cross-species and route-of-administration extrapolation. The mechanistic nature supports regulatory decision-making and reduces the need for extensive in vivo testing. Furthermore, PBPK models are instrumental in special population assessments, such as pediatrics or patients with organ impairment. Conclusion: With continued integration of in silico tools and data obtained by other testing, PBPK modeling is poised to become a central platform in translational pharmacology and safety assessment. Regulatory agencies most commonly use PBPK models to support the assessment and prediction of drug-drug interactions. Toxicokinetics ; Drug development ; Pharmacokinetics ; Ecotoxicology ; Drug ; Pharmacology ; Toxicodynamics ; Biochemical engineering ; Medicine ; Chemistry ; Environmental chemistry ; Engineering Analytical Chemistry and Chromatography ; Pharmacogenetics and Drug Metabolism ; Effects and risks of endocrine disrupting chemicals
Authors: Van Tuan Le | Drew Vecchio | Ayse D. Uyulur | Ill‐hyuk Han | Andrei Ursu | Geehyun Kim | Mark D. Hammig
Source: Small (article, 2025-10-25)
Field: Materials Science — Materials Chemistry

X‐ray and γ‐ray Sensing from Aqueous‐Based Lead Sulfide Telluride Nanocomposites Lead chalcogenides (PbS, PbSe, and PbTe) are exceptional semiconductors for a variety of applications that exploit their unique combination of heavy atomic mass and high charge mobility. For sensors of energetic quanta such as X-rays and γ-rays, the de-coupling of electronic and phononic modes can deliver high intrinsic energy resolution at room temperature. Thus far, the lack of a simple, effective fabrication procedure for making large-volume percolating networks has prevented the exploitation of these materials. Here, a synthesis strategy is reported that utilizes aqueous colloids of PbS<sub>x</sub>Te<sub>y</sub> nanoparticles that are grafted upon an aramid nanofiber scaffold, such that excellent charge transport is realized throughout the size-scalable solids. When sensing individual X-rays and γ-rays, the resulting nanoparticle-polymeric composite can exhibit an energy resolution equivalent to that of a commercial single-crystalline cadmium telluride detector (2.8 keV at 81 keV). Furthermore, the addition of interfaces and randomly distributed lattice planes within the solid results in enhanced stopping of the secondary electrons from the photonic interactions, a scattering effect that can result in either thin-film X-ray stopping layers or lightweight, flexible, charged-particle shielding. Lead sulfide ; Fabrication ; Semiconductor ; Nanoparticle ; Cadmium telluride photovoltaics ; Nanocomposite ; Composite number ; Cadmium sulfide ; Scattering Quantum Dots Synthesis And Properties ; Advanced Semiconductor Detectors and Materials ; Electronic and Structural Properties of Oxides
Authors: Md Towhidul Islam Tarun | Hassan Y. Ebrahim | Dalal Dawud | Zakaria Y. Abd Elmageed | Eva Corey | Khalid A. El Sayed
Source: Nutrients (article, 2025-12-17)
Field: Chemistry — Organic Chemistry

The Olive Phenolic S–(–)–Oleocanthal as a Novel Intervention for Neuroendocrine Prostate Cancers: Therapeutic and Molecular Insights <b>Background/Objectives</b>. Prostate cancer (PCa) is among the leading causes of death from cancer in men. Frequent use of androgen receptor inhibitors induces PCa transdifferentiation, leading to poorly differentiated neuroendocrine PCa (NEPC). ROR2 is critical for NEPC pathogenesis by activating ASCL1, promoting lineage plasticity. Protein lysine methylation mediated by <i>N</i>-lysine methyltransferases SMYD2 and its downstream effector EZH2 upregulates the NEPC marker ASCL1 and enhances c-MET signaling, promoting PCa aggression. Epidemiological studies suggest a lower incidence of certain malignancies in Mediterranean populations due to their intake of an olive-phenolics-rich diet. <b>Methods</b>. Cell viability, gene knockdown, and immunoblotting were used for in vitro analyses. A nude mouse NEPC xenograft model evaluated the anti-tumor efficacy of purified and crude oleocanthal. Xenograft tumors were subjected to RNA-seq, qPCR, and Western blot analyses, with clinical validation performed using tissue microarrays. <b>Results</b>. A tissue microarray analysis showed that SMYD2 expression was significantly elevated in PCa tissues with higher IHS versus normal prostate tissue cores. The olive phenolic <i>S</i>-(-)-oleocanthal (OC) suppressed the de novo NEPC NCI-H660 cells proliferation. Male athymic nude mice xenografted with the NCI-H660-Luc cells were used to assess OC effects on de novo NEPC progression and recurrence. Male NSG mice transplanted with LuCaP 93 PDX tumor tissues generated a heterogeneous in vivo model used to assess OC effects against t-NEPC progression. Daily oral 10 mg/kg OC administration significantly suppressed the NCI-H660-Luc tumor progression and locoregional recurrence after primary tumor surgical excision. OC treatments effectively suppressed the progression of LuCaP 93 PDX tumors. OC-treated tumors revealed downregulation of ROR2, ASCL1, SMYD2, and EZH2, as well as activated c-MET levels versus the placebo control. RNA sequencing of the collected treated NEPC tumors showed that OC disrupted NEPC splicing, translation, growth factor signaling, and neuronal differentiation. <b>Conclusions</b>. This study's findings validate OC as a novel lead entity for NEPC management by targeting the ROR2-ASCL1-SMYD2-EZH2-c-MET axis. Prostate cancer ; Prostate ; In vivo ; Downregulation and upregulation ; Carcinogenesis ; Tissue microarray ; Cancer ; Methyltransferase ; Neuroendocrine differentiation ; Tumor progression Edible Oils Quality and Analysis ; Epigenetics and DNA Methylation ; Wnt/β-catenin signaling in development and cancer
Authors: Khaleda Begum | Ankur Das | Raja Ahmed | Suraiya Akthar | Sofia Banu
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-04-30)
Field: Chemistry — Organic Chemistry

Genome-wide identification and expression analysis of CDPK proteins in agarwood-producing Aquilaria agallocha trees Abstract Calcium is the most common secondary messenger of the plant signal transduction mechanism. The Calcium-dependent protein kinases ( CDPK s), a plant multi-gene family protein, act as sensors of calcium ion concentration inside plant cells. CDPK s convert variations in calcium concentration into a signal and phosphorylate various proteins that translate calcium signals into physiological reactions. Aquilaria agallocha is an aromatically important crop due to the production of valuable fragrant resinous agarwood in their heartwood. The trees produce agarwood when wounded and exposed to biotic and abiotic stresses. CDPK s are essential in plant development and growth, biotic and abiotic stress responses, and phytohormone-mediated signalling pathways. A comprehensive investigation of the stress-combating gene family (CDPK) in the A . agallocha genome is currently lacking. In this work, we used a bioinformatics approach to examine the entire genome of A . agallocha and identified 24 CDPK genes. According to the molecular phylogenetic relationships, the putative Aa CDPK s are grouped into four groups. Synteny analysis identified a few conserved segments (orthologous genes) between A . agalloch a and Arabidopsis thaliana (eight pairs), A . sinensis (twenty pairs), Glycine max (sixteen pairs), Solanum tuberosum (five pairs), and Vitis vinifera (ten pairs). Duplication analysis of AaCDPK genes indicated that dispersed duplications significantly contributed to the expansion of the CDPK gene family of A . agallocha. The observed AaCDPK-RBOH interaction within the protein interaction network suggests that this interaction may be crucial in integrating Ca 2+ and ROS signaling pathways. RNA-seq data analysis shows differential expression of seven putative AaCDPK genes in agarwood tissue. qRT-PCR analysis revealed that six out of ten selected AaCDPK genes exhibited altered expression levels in response to MeJA, H 2 O 2 , and CaCl 2 treatments. Integrated promoter analysis, PPI data, and in silico gene expression validated with qRT-PCR-analysis collectively suggest the role of CDPK-RBOH as a signalling molecule in initiating phytohormone-mediated agarwood resin formation. This study provides a strong foundation for future investigations into the study of functional roles and regulatory mechanisms of AaCDPK genes in sesquiterpene biosynthesis and agarwood formation. Agarwood ; Identification (biology) ; Genome ; Biology ; Computational biology ; Genetics ; Botany ; Gene ; Medicine Wood and Agarwood Research ; Identification and Quantification in Food
Authors: Nuritov Ikrom Rajabovich | Tashmuradova Khalima Alaberdiyevna | Matasova Irina Yurievna | Evsyukov Dmitry Yurievich | Panfilova Tatyana Alexandrovna | Stupina Alena Alexandrovna
Source: Tikrit Journal of Engineering Sciences (article, 2025-12-19)
Field: Materials Science — Materials Chemistry

High-Efficiency Ultrajet Cracking of Heavy Crude Oil Using High-Velocity Hydrodynamic Jets This study presents an experimental investigation into the efficiency of ultranet cracking technology for processing heavy crude oil fractions. A high-pressure hydrodynamic system equipped with tungsten carbide nozzles and rotating targets was employed to generate compact liquid jets with velocities ranging from 400 to 750 m/s. The experiments evaluated the effects of jet velocity, impact angle, and target material on the breakdown of long-chain hydrocarbons. Results demonstrated that at a jet velocity of 600 m/s and an impact angle of 80°, the yield of light fractions with boiling points below 350°C increased to 28.4%, exceeding the untreated oil baseline by approximately 9–12%. Additionally, viscosity was reduced from 220 to 145 mPa·s after two treatment cycles, indicating significant molecular degradation. The introduction of cyclic flow regimes and turbulence promoters further enhanced the performance, increasing the light fraction yield by up to 4% and 2–3%, respectively. Calculated deceleration forces reached up to 1.6×10⁶ m/s², emphasising the intense mechanical impact driving the cracking process. The findings highlight ultranet cracking as an energy-efficient and adaptable method for upgrading heavy petroleum feedstocks. Compared with ultrasonic cavitation under comparable specific energy inputs (≈500–700 kJ·kg⁻¹), ultranet cracking achieved higher light-cut yields (28.4%–31.2% vs. ~21–23%), highlighting its performance advantage in partial upgrading. Cracking ; Nozzle ; Jet (fluid) ; Yield (engineering) ; Residual oil ; Kerosene ; Light crude oil ; Boiling ; Viscosity ; Fraction (chemistry) Ultrasound and Cavitation Phenomena ; Petroleum Processing and Analysis ; Catalysis and Hydrodesulfurization Studies