jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yifan Li | Jingyuan Zhao | Dongtao Liu | Guangshan Zhu
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Porous organic polymers based on carbon–carbon coupling reaction: synthesis and applications Porous organic polymers (POPs) are a class of materials formed by covalent bonding, which possess large specific surface area, good physical and chemical stability, and strong designability. Among these, POPs constructed through carbon-carbon coupling, including conjugated microporous polymers (CMPs), porous aromatic frameworks (PAFs), hypercrosslinked porous polymers (HCPs), and porous polymer networks (PPNs), generally show higher stability than those connected by reversible covalent bonds. These POPs can retain their structural stability even under harsh chemical conditions. This remarkable stability enables them to undergo diverse chemical functionalization modifications, thereby endowing them with broad application prospects that align more closely with practical requirements. Carbon-carbon coupling reactions are the core synthetic strategy for constructing POPs, mainly including classic reaction types such as Ullmann coupling, Sonogashira-Hagihara cross-coupling, Suzuki-Miyaura cross-coupling, Heck cross-coupling, Eglinton coupling, and Friedel-Crafts alkylation reaction. These reactions correspondingly enable the formation of five types of carbon-carbon bonds <i>via</i> coupling reactions, including C(sp<sup>2</sup>)-C(sp), C(sp<sup>2</sup>)-C(sp<sup>2</sup>), C(sp)-C(sp), C(sp<sup>2</sup>)-C(sp<sup>3</sup>), and C(sp<sup>3</sup>)-C(sp<sup>3</sup>). By precisely regulating monomer structures, catalyst systems, and reaction conditions, key parameters of POPs such as pore size, specific surface area, and surface chemical properties can be directionally designed, thereby obtaining material structures that meet specific application requirements. POPs have been attracting wide attention because of their excellent performances in gas adsorption, gas separation, catalysis, electrochemistry, and many other fields. Moving forward, carbon-carbon coupling reactions have unique potential in expanding the structural diversity of POPs and developing new functional porous materials, representing a promising direction for focused exploration in the field of POP synthesis. Polymer ; Covalent bond ; Porosity ; Coupling (piping) ; Organic polymer ; Porous medium Covalent Organic Framework Applications ; Synthesis and Properties of Aromatic Compounds ; Surface Chemistry and Catalysis
Authors: Andoko Andoko | Kuncoro Diharjo | Hairul Arsyad | Sanjay M R
Source: Arabian Journal of Chemistry (article, 2026-03-17)
Field: Materials Science — Materials Chemistry

Effectiveness of corrosion protection for 6061 aluminum with orchid leaf extract inhibitor in 1M HCl solution Understanding the corrosion behavior of aluminum in acidic environments requires both experimental and molecular-level investigation. This study investigates the effectiveness of Orchid leaf extract (OLE) as a green corrosion inhibitor for Aluminium alloy 6061 (AA6061) in 1 M HCl solution using combined experimental and computational approaches. Potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) revealed optimal inhibition efficiencies of 90.11% and 80.07%, respectively, at 3000 mg L⁻ 1 . The adsorption process followed the Langmuir isotherm, with a free energy of adsorption (ΔGₐds = –27.31 kJ mol⁻ 1 ), indicating a synergistic mechanism of physisorption and chemisorption. Phytochemical components containing aromatic rings and oxygen-bearing groups were modeled as representative inhibitor molecules (A₁ and A₂). Density functional theory (DFT) and Monte Carlo simulations confirmed that both molecules can adsorb strongly onto the Al (111) surface through electron donation and charge transfer, showing higher adsorption energies than water molecules. Fourier transform infrared (FT-IR) and UV-Vis spectroscopy verified the interaction of functional groups such as –OH, C=O, and aromatic rings with the aluminum surface. Scanning electron microscopy (SEM) demonstrated that the inhibitor forms a compact protective film, markedly reducing corrosion damage. Adsorption ; Physisorption ; Corrosion inhibitor ; Dielectric spectroscopy ; Corrosion ; Aluminium ; Fourier transform infrared spectroscopy ; Langmuir adsorption model Corrosion Behavior and Inhibition ; Anodic Oxide Films and Nanostructures ; Aluminum Alloy Microstructure Properties
Authors: Karukuri Premalathaa | Ravikumar Kapavarapu | Sridhar Kavela | Sirassu Narsimha
Source: Frontiers in Chemistry (article, 2026-03-13)
Field: Chemistry — Organic Chemistry

Synthesis and antimicrobial activity of sulfonyl-imidazole linked fused isoxazolo[3,4-b][1,2,3]triazolo[4,5-d]pyridines:PEG-400 mediated one-pot reaction under ultrasonic irradiation Overall, compound 6k was identified as a promising lead with potent antibacterial, antibiofilm, and immunomodulatory properties, combined with a favourable safety profile, warranting further preclinical development against drug-resistant <i>S. aureus</i> infections. Cytotoxicity ; Hemolysis ; Antimicrobial ; Antibacterial activity ; Cytokine ; Drug ; Immune system ; Biological activity Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Synthesis and Reactivity of Heterocycles
Authors: Omar Ghazi Almohammdi | Fahad Mohammad Alminderej | Lotfi M. Aroua
Source: JOURNAL of QASSIM UNIVERSITY FOR SCIENCE (article, 2026-03-10)
Field: Chemistry — Organic Chemistry

Recent Advances in Benzimidazole Chemistry: A Comprehensive Review on Synthetic Approach and Therapeutic Potential Heterocyclic molecules are crucial in organic chemistry, and benzimidazoles, with their intricate structure and adaptability, are especially significant in the field of medicinal chemistry. This review provides an overview of benzimidazole chemistry, including its basic properties, synthetic procedures, and numerous biological applications. Benzimidazole nucleus, derived from the fusion of a benzene ring with imidazole, has been known since 1944 for its biological importance, structural similarities to purines, and its capability to interact with proteins and modulate biochemical processes. Different synthetic approaches for benzimidazole derivatives, primarily based on o-phenylenediamine, have also been systematically classified in this review. These methodologies involve reactions with carboxylic acids (Phillips method, ammonium chloride catalysis, microwave irradiation, polyphosphoric acid-assisted reflux, and ZnO nanoparticles-assisted green synthesis), aldehydes (oxygen molecular oxidation, iodine catalysis, sodium metabisulfite, ferric hydrogensulfate, sodium hexafluoroaluminate, dioxanedibromide, SDS-assisted synthesis, palladium/copper catalysis, copper(II) hydroxide, tert-butyl nitrite, solvent-free methods, boric acid catalysis, PEG-400, and lactic acid), Lewis acid, anhydride, ketone, orthoester, acid chloride, cyanogen bromide, orthoformate, ester, and nitrile. Special attention is paid to the green chemistry revolution across processes and methods, with environmentally friendly, benign solvents, catalysts, and synthetic plans that have reduced environmental impact. The review also highlights the wide range of biological activities of benzimidazole derivatives and their potential in drug discovery. These biological activities consist of excellent antibacterial activities against Gram+ and Gram- bacteria, strong anticancer activities against different cell lines and enzymes (e.g., DNA topoisomerase I, sirtuin enzymes), and remarkable antiviral activities against a set of viruses such as HIV and TMV. Moreover, BZDs demonstrate anti-inflammatory and analgesic, antifungal, antioxidant, antidiabetic (α-amylase, α-glucosidase suppression), antiprotozoal ( Trichinella spiralis and Giardia lamblia parasites), antihypertensive (ACE inhibitors and AT₁ antagonists), anticoagulant (thrombin inhibitory), and antidepressant effects (GSK-3β inhibitors). The report highlights the therapeutic potential of the benzimidazole framework as a promising lead for new drug design based on a large number of biological and clinical studies. Benzimidazole ; Drug discovery ; Biological activity ; Pharmacophore ; Chemical synthesis Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Chimdi Mang Kalu | Udoka Vitus Ogugua | Ebere Lovelyn Udeh | Sarah Otun | Adewale O. Oladipo | Sogolo Lucky Lebelo | P. Adriaanse | Khayalethu Ntushelo | Memory Tekere
Source: Discover Nano (article, 2026-01-25)
Field: Materials Science — Materials Chemistry

Applications of nanoparticles in plant disease identification and control for sustainable crop production Nanotechnology is a vast field applicable in various areas of study, including agriculture. Nanoparticles (NPs) can be used in plant disease control in many ways, including as fungicide delivery systems and to enhance cell-to-cell interactions in plants. Their ease of use can be manipulated not only for disease control in crop production but also for the identification of plant diseases. Information on the use of NPs for plant disease control and disease identification was collated. Mechanisms of action of NPs were outlined and discussed. Through these mechanisms, ZnO-NPs reduced Fusarium wilt symptoms in tomatoes by 28.57% and provided 67.99% protection. Ag-NPs promoted a 49.2% reduction of bacterial leaf blight disease in rice caused by Xanthomonas oryzae pv. oryzae. Various techniques involving NPs have been developed for plant disease identification and have shown promise. To ensure the sustainability of applications of NPs and crop production, several knowledge gaps need to be addressed. These include the timeliness of disease identification, the lack of standardised toxicity assessment protocols for NPs, and the paucity of information on NPs-microbiome-plant tri-interactions under field conditions. Furthermore, integration of NPs biosensing with remote sensing or innovative agricultural tools, and the unclear impact of NPs accumulation on soil enzyme activity and nutrient cycling, needs to be addressed. Further study is required to develop a novel technique for real-time identification of plant disease and to accurately identify and quantify the appropriate NPs for specific plant diseases. Plant disease ; Identification (biology) ; Disease management ; Crop ; Crop production ; Blight ; Disease control ; Disease Nanoparticles: synthesis and applications ; Biosensors and Analytical Detection ; Plant-Microbe Interactions and Immunity
Authors: Saad Shaaban | Tarek A. Yousef | Ahmed Mohammed Abu-Dief | Amal H. T. Haffez | Khadra B. Alomari | Hanan A. Althikrallah | Faisal Mohammed Alkahtani | Mohamed Alaasar | Anwar Adil Hameed | Ahmed S. M. Al-Janabi | Kamal Shalabi
Source: Arabian Journal of Chemistry (article, 2026-03-18)
Field: Materials Science — Materials Chemistry

Synthesis, characterization, and corrosion inhibition performance of multifunctional organoselenium schiff base–metal hybrids for Q235 steel in acidic media In this study, we report the synthesis of a novel selenated Schiff base, namely, 2-(((4-(methylselanyl)phenyl)imino)methyl)phenol (MeSeOH), and its [Ni(MeSeO) 2 (H 2 O) 2 ] complex. Their corrosion inhibition performance toward Q235 steel in 0.5 M H 2 SO 4 was evaluated using electrochemical techniques, surface characterization, density functional theory (DFT) calculations, and Monte Carlo (MC) simulations. The Ni(II) complex [Ni(MeSeO) 2 (H 2 O) 2 ] exhibited a maximum inhibition efficiency of 95.5%, markedly higher than that of the free ligand MeSeOH. DFT analysis and MC simulations indicate strong adsorption of the inhibitors on the steel surface and a favorable planar orientation that maximizes surface coverage. These results demonstrate that the synthesized organoselenium Schiff base and its Ni(II) chelate are promising candidates for anticorrosion applications, particularly as protective coatings in oil and gas, automotive, and construction industries. Schiff base ; Corrosion ; Density functional theory ; Electrochemistry ; Adsorption ; Ligand (biochemistry) Corrosion Behavior and Inhibition ; Organometallic Compounds Synthesis and Characterization ; Organoselenium and organotellurium chemistry
Authors: Curtis Chong | Jorge Colindres
Source: arXiv (Cornell University) (article, 2026-04-08)
Field: Materials Science — Materials Chemistry

LitXBench: A Benchmark for Extracting Experiments from Scientific Literature Aggregating experimental data from papers enables materials scientists to build better property prediction models and to facilitate scientific discovery. Recently, interest has grown in extracting not only single material properties but also entire experimental measurements. To support this shift, we introduce LitXBench, a framework for benchmarking methods that extract experiments from literature. We also present LitXAlloy, a dense benchmark comprising 1426 total measurements from 19 alloy papers. By storing the benchmark's entries as Python objects, rather than text-based formats such as CSV or JSON, we improve auditability and enable programmatic data validation. We find that frontier language models, such as Gemini 3.1 Pro Preview, outperform existing multi-turn extraction pipelines by up to 0.37 F1. Our results suggest that this performance gap arises because extraction pipelines associate measurements with compositions rather than the processing steps that define a material. Benchmarking ; Python (programming language) ; Benchmark (surveying) ; Pipeline transport ; Scientific literature ; Property (philosophy) Machine Learning in Materials Science ; Scientific Computing and Data Management ; Intellectual Property and Patents
Authors: Yashvant Vitthal Khandare | Prashant N Muskawar
Source: Journal of Research in Chemistry (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Mild synthesis of chromeno[4,3-B]chromene derivatives using novel Lewis-acid hexyl-benzimidazolium based ionic liquid surfactant combined catalyst A new 1-hexyl, 3-butane sulfonate benzimidazolium ionic liquid combined with Lewis acid facilitates a novel catalyst for the synthesis of chromeno[4,3-b]chromene derivatives. Chromene derivatives were prepared through the multicomponent reaction among Aromatic aldehydes, 4-hydroxy coumarin and 1,3-dicarbonyl compounds in acetonitrile solvent at 70℃. The significant advantages of this new method include low reaction time, easy work-up, cost-effective, wide substrate scope, excellent yield, and complete atom economy of the final products. Moreover, the prepared catalyst could be frequently recovered many times with only a little decrease in the catalytic activity. The structures of the LAHBimILSC and synthesized chromeno[4,3-b]chromene derivatives investigated by using spectral data (UV-Vis, IR, NMR and mass spectra). Catalysis ; Ionic liquid ; Acetonitrile ; Substrate (aquarium) ; Pulmonary surfactant ; Solvent ; Atom economy ; Sulfonate Multicomponent Synthesis of Heterocycles ; Synthesis of Indole Derivatives ; Ionic liquids properties and applications
Authors: Sabina Rachel Harold | Ramesh Kumar Miryala | Kalyani Sambaru | Venu Kumar Boghe
Source: Journal of Applied Pharmaceutical Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Biological activity of 1,3,4-oxadiazole: A bibliometric analysis (2000–2025) The study of 1,3,4-oxadiazole derivatives has witnessed significant growth due to their versatile biological activities and therapeutic potential in medicinal chemistry. The present study reports bibliometric analysis from 2000 to 2025, focusing on a comprehensive overview of research trajectory associated with 1,3,4-oxadiazoles. The Scopus and Web of Science databases have been used in the study to collect bibliometric data. The bibliometric tools Biblioshiny and VOS viewer are used. The evolution of literature regarding oxadiazoles was presented using publication metrics, citation patterns, institutions and influential journals. Along with the mentioned metrics, trend, thematic and tree maps were also included in the study. The study enables the researchers to identify the research gap and give future directions in the area of 1,3,4-oxadiazoles. Scopus ; Web of science ; Bibliometrics ; Citation ; Thematic map ; Citation analysis Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Structural and Chemical Analysis of Organic and Inorganic Compounds
Authors: Joachim Storsberg | Sophia Rosencrantz | Ruben R. Rosencrantz
Source: Preprints.org (preprint, 2026-02-26)
Field: Materials Science — Surfaces, Coatings and Films

Glycopolymers as a Tool for Specific Surface Modification of Polymeric Biomaterials The interface between biomaterials and biological systems is crucial for medical implants and tissue engineering. Surface modifications are a key strategy for controlling interactions. Synthetic glycopolymers offer a versatile toolbox, mimicking the structure and function of natural glycoconjugates like mucins. This review highlights the significance of glycopolymers for targeted surface modifications of established biomaterials, such as silicones and poly(meth)acrylates. Controlled polymerization techniques, like RAFT polymerization, enable the synthesis of well-defined glycopolymer architectures. Glycopolymeric surface functionalization creates tailored interfaces for different biological responses: From preventing protein and cell adhesion to promoting specific cell-type binding. The focus lies on using single, well-characterized polymeric base materials and tuning their surface properties through glycopolymer coatings to achieve various and specific functions. This approach opens new dimensions in the development of advanced biomaterials for applications like contact lenses, drug delivery systems, and biosensors and also possesses potential regulatory advantages by leveraging the safety profiles of existing materials. Glycopolymer ; Surface modification ; Drug delivery ; Self-healing hydrogels ; Biosensor ; Biomimetic materials ; Biocompatible material ; Natural materials Polymer Surface Interaction Studies ; Advanced Polymer Synthesis and Characterization ; Hydrogels: synthesis, properties, applications
Authors: Nguyễn Lê | Javier Izquierdo | Fei Fan | Bartosz Górski | Russell T. Smith | Julia Masuda | Jonas Rein | Nicholas G. W. Cowper | Jonas K. Widness | Benoit Cardinal‐David | Abigail G. Doyle | Eric Voight | Song Lin
Source: ChemRxiv (article, 2026-01-29)
Field: Chemistry — Organic Chemistry

Scalable Enantioselective Oxidation of Aliphatic N-heterocycles via Catalytic Hydride Abstraction Enantioselective C-H functionalization remains a highly desired yet challenging goal in organic synthesis. A prevailing strategy involves nonselective C-H cleavage followed by enantioselective functionalization of the resultant prochiral intermediate. A complementary but substantially less explored approach is direct asymmetric C-H activation (e.g., desymmetrization or kinetic resolution), which can generate multiple stereocenters and enable access to complex stereochemical arrays. Here, we report the enantioselective oxidation of N-protected cyclic amines to chiral lactams via asymmetric hydride abstraction by novel oxoammonium catalysts. This process employs a readily prepared amine catalyst precursor and is operationally simple, air-and water-tolerant, and highly selective across a broad substrate scope. This method streamlines the synthesis of key intermediates for bioactive molecules on preparative scale (up to 22 g lab scale and 10 kg plant scale) and provides rapid access to structural analogs of these medicinal agents. Mechanistic studies reveal hydride abstraction to be enantiodetermining and uncover stereoelectronic factors that underpin the observed high enantioselectivity. Enantioselective synthesis ; Desymmetrization ; Hydride ; Stereocenter ; Catalysis ; Amine gas treating ; Chirality (physics) ; Stereoisomerism Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis ; Oxidative Organic Chemistry Reactions
Authors: GANESH D MOTE | Mahesh Saralaya
Source: Asian Journal of Pharmaceutical and Clinical Research (article, 2026-01-07)
Field: Chemistry — Organic Chemistry

DESIGN, SYNTHESIS, AND ANTIMYCOBACTERIAL EVALUATION OF NOVEL PYRROLE-OXADIAZOLE MOLECULAR HYBRID AGAINST MYCOBACTERIUM TUBERCULOSIS Objective: To enhance the potency of susceptible Mycobacterium tuberculosis (MTB) and create novel derivatives for multidrug-resistant tuberculosis with a molecular hybrid of pyrrole with oxadiazole. Methods: A number of pyrrole-ligated oxadiazole molecular hybrid derivatives have been developed and produced in response to the bioisosteric similarities between isoniazid and pyrazinamide. Fourier transform infrared spectral data, mass spectrometry, and nuclear magnetic resonance were used to identify the target chemicals. The toxicity of the chosen ligands was assessed using human dermal fibroblast cell lines, and the in vitro Microplate Blue Alamar assay for antitubercular action of all the prepared compounds against the strain MTB H37Rv was assessed. Results: Every developed drug exhibited MTB inhibition, with a minimum inhibitory concentration (MIC) ranging from 3.12 to 50 μM. OP3 was the most effective MTB inhibitor among the drugs evaluated (MIC=3.12 μM). Conclusion: The current study’s findings indicate that the majority of the synthesized compounds exhibit an adequate range of molecular characteristics and are sensitive to MTB. Antimycobacterial ; Mycobacterium tuberculosis ; Isoniazid ; Oxadiazole ; In vitro ; Minimum inhibitory concentration ; Molecular mass ; Tuberculosis Synthesis and Reactivity of Heterocycles ; Tuberculosis Research and Epidemiology ; Synthesis and biological activity
Authors: Faleh Z Alqahtany | Norah A Alsaiari | Antar A Abdelhamid | Adel A. Marzouk | Amer A. Amer | Mohamed A Gad
Source: Pest Management Science (article, 2026-01-18)
Field: Chemistry — Organic Chemistry

Advancing pest control: synthesis, toxicological and biochemical studies of imidazole compounds as prospective insecticidal agents With median lethal concentrations (LC<sub>50</sub>) of 4.926 mg/L for fourth-instar larvae and 7.241 mg/L for second-instar larvae, comparable with the commercial insecticide fipronil, bioassays demonstrated that compound 5i had a strong insecticidal effect. In addition, some biochemical characteristics of the produced molecules were examined, including total protein, total lipids, and glutathione S-transferase and acetylcholinesterase activity. © 2026 Society of Chemical Industry. Bioassay ; PEST analysis ; Glutathione ; Insecticide resistance ; Pesticide ; Trogoderma granarium ; Larva ; Imidazole ; Acetylcholinesterase Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Microwave-Assisted Synthesis and Applications