jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Bouchakour F | Driche E | Unsal T | Fares C | Taskın O.S | Aksu A | Sebaihia M
Source: International Research Journal of Multidisciplinary Technovation (article, 2026-01-13)
Field: Materials Science — Materials Chemistry

Study of Streptomyces extract as an effective inhibitor against microbiologically influenced corrosion by Pseudomonas aeruginosa biofilm on API 5L X52 steel This research investigates the effect of a Streptomyces-derived extract (SE) on microbiologically influenced corrosion (MIC) induced by Pseudomonas aeruginosa biofilms on API 5L X52 steel. Various amounts of SE were evaluated in P. aeruginosa cultures by 7-day immersion assays. SE was extracted from Actinobacteria strains found in a soil sample from the Béchar-Kenadsa region of the Sahara. Gas chromatography-mass spectrometry (GC-MS) was utilized to analyze the chemical composition of the extract. This facilitated the identification of specific components that inhibit corrosion. The anticorrosion efficacy of SE against biofilm-induced corrosion under microbiological influence (CMI) of API 5L X52 steel caused by P. aeruginosa was assessed by potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Scanning electron microscopy (SEM) was employed to examine the surface morphology. The findings indicate that the incorporation of SE significantly inhibits the development of P. aeruginosa biofilms on the coupons. This inhibitory activity leads to a significant reduction in the rate of microbiologically induced corrosion, commonly attributed to bacterial colonization.. In silico investigations validated that the discovered compounds exhibit a strong affinity for the corrosive bacterium P. aeruginosa, elucidating their inhibitory function. Biofilm ; Pseudomonas aeruginosa ; Corrosion ; Bacteria ; Dielectric spectroscopy ; Pseudomonadaceae ; Scanning electron microscope ; Actinobacteria Corrosion Behavior and Inhibition ; Bacterial biofilms and quorum sensing ; Concrete Corrosion and Durability
Authors: Nathaniel L. Nevis | Aliyah Basheba Zackpah
Source: International Journal of Research and Innovation in Applied Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Selective Removal of Purines from Aqueous Solution Using Cucurbit[N]Uril: A Comprehensive Review Purine bases and their metabolites, including adenine, guanine, xanthine, hypoxanthine, uric acid, and methylxanthines such as caffeine, are essential biological compounds that have increasingly emerged as environmentally relevant micropollutants due to widespread human consumption and their incomplete removal by conventional wastewater treatment processes. Their high water solubility, structural similarity, and persistence at trace concentrations in complex aqueous matrices make selective removal particularly challenging. This review examines the sources, environmental significance, chemical behavior, and health implications of purines in aquatic systems, while critically assessing the limitations of existing treatment technologies such as conventional adsorption, membrane filtration, biological degradation, and advanced oxidation processes, which often suffer from poor selectivity, high energy demand, fouling, or incomplete mineralization. Emphasis is placed on cucurbit[n]urils (Q[n]) as a promising supramolecular platform for the selective removal of purines from water. The unique molecular architecture of Q[n], characterized by hydrophobic cavities and carbonyl-lined portals, enables highly specific host–guest interactions driven by size complementarity, hydrophobic inclusion, hydrogen bonding, and ion–dipole interactions. The review highlights the influence of cucurbituril ring size on purine selectivity, competitive binding behavior in multicomponent systems, and the advantages of nonporous adaptive crystals for selective uptake under realistic conditions. Current challenges related to scalability, material stability, and process integration are discussed, alongside future perspectives for the rational design of next-generation Q[n]-based adsorbents. Overall, this work underscores the potential of cucurbituril-based supramolecular systems as precision-engineered tools for sustainable purine management in environmental and biomedical applications. Cucurbituril ; Supramolecular chemistry ; Purine metabolism ; Aqueous solution ; Human health ; Green chemistry ; Aptamer ; Bioprocess Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Jimin Xue | Peng Liu
Source: Arabian Journal of Chemistry (article, 2026-03-06)
Field: Materials Science — Biomaterials

Synthesis and crosslinking-induced self-assembly of copolymer prodrug for tumor intracellular acid-triggered doxorubicin delivery Supramolecular self-assembled copolymer-based micelles and nanoparticles show promising potential as drug delivery systems (DDSs) for tumor chemotherapy. However, the stability upon dilution and premature leakage of encapsulated drugs limit their practical application. Herein, core-crosslinked copolymer prodrug nanoparticles were developed via facile crosslinking-induced self-assembly (CISA) of doxorubicin (DOX)-conjugated poly(hydrazide oxyethyl methacrylate)- b -PEG copolymer prodrug through acid-labile hydrazone and imine bonds, with hexamethylene 1,6-bis(4-oxybenzaldehyde) (BFA) as crosslinker. The optimized core-crosslinked copolymer prodrug nanoparticles (PEG-cPMN-DOX) with a high DOX content of 35.72% and average hydrodynamic diameter (Dh) of 183 nm possessed better acid-triggered controlled DOX release performance than the corresponding supramolecular self-assembled copolymer prodrug nanoparticles (PEG-PMN-DOX), showing tumor intracellular acid-triggered sustained release of DOX with similar cumulative DOX release of &gt;80% in the simulated tumor intracellular microenvironment (TME) in 72 h but much lower premature DOX leakage of 7%. Both copolymer prodrug nanoparticles can be internalized by the tumor cells and release DOX in the TME condition, showing an enhanced tumor growth inhibition than free DOX, while the core-crosslinked copolymer prodrug nanoparticles (PEG-cPMN-DOX) gave a higher anti-tumor efficiency than the corresponding supramolecular self-assembled copolymer prodrug nanoparticles (PEG-PMN-DOX), maybe due to the excellent acid-triggered sustained DOX release. Prodrug ; Copolymer ; Micelle ; Doxorubicin ; Nanoparticle ; Drug delivery ; Intracellular ; Supramolecular chemistry Nanoparticle-Based Drug Delivery ; Advanced Polymer Synthesis and Characterization ; Nanoplatforms for cancer theranostics
Authors: Charles H Antaki
Source: ChemRxiv (article, 2026-03-18)
Field: Chemistry — Organic Chemistry

The Antaki Synthesis Revisited: Hexahydroquinoline Chemistry, Ultraviolet Spectroscopic Priority, and Antimalarial Relevance of a 1963 Cairo Contribution The hexahydroquinoline scaffold has attracted renewed pharmaceutical interest as a privileged structure in antimalarial drug discovery, driven in part by growing resistance to artemisinin-based therapies. We report here that the three-component condensation of cyclohexane-1,3-dione, aromatic aldehydes, and ethyl b-aminocrotonate to yield ethyl 4 Relevance (law) ; Yield (engineering) ; Drug ; Ultraviolet ; Drug resistance ; Drug development Multicomponent Synthesis of Heterocycles ; Malaria Research and Control ; Phosphorus compounds and reactions
Authors: Ping Yi | Ruoqin Yan | Yulong Liu | Jinhao Gao | Peng Li | Zhiqiang Dang | Xujie Lin
Source: Frontiers in Chemistry (article, 2026-01-20)
Field: Materials Science — Polymers and Plastics

Self-thickening mechanism of an amphiphilic polymer during acid rock reaction and performance testing Using acrylamide, methacryloyloxyethyl trimethyl ammonium chloride, and 2-acrylamido-2-methylpropanesulfonic acid as raw materials, an amphoteric ionic self-thickening acid ADAM was prepared. The viscosity changes of ADAM during the acid-rock reaction process were studied, demonstrating that the self-thickening behavior of ADAM depends on the concentration of Ca<sup>2+</sup> in the solution. Specifically, the ADAM acid solution demonstrated a post-reaction viscosity increase of 110 mPa s, representing a rise of 183%. Temperature and shear resistance of the residual acid solutions were examined using the HAKKE MARS IV. After 1 hour of shear, ADAM retained viscosities of 123, 83, and 28 mPa s at 90, 120, and 150 °C, respectively. These values exceed those of the ADC system by 162%, 295%, and 211% under identical conditions. The ADAM formulation exhibits effective self-thickening capability, and its robust temperature and shear stability support its potential for large-scale application in high-temperature carbonate reservoirs. Viscosity ; Polymer ; Shear rate ; Apparent viscosity ; Ionic strength ; Shear (geology) ; Ammonium carbonate ; Ammonium Polymer composites and self-healing ; Enhanced Oil Recovery Techniques ; Hydraulic Fracturing and Reservoir Analysis
Authors: Uma Venkatesan | Rajiniraja Muniyan
Source: Frontiers in Microbiology (article, 2026-04-01)
Field: Materials Science — Biomaterials

Antimicrobial evaluation of Cardiospermum halicacabum L. leaf fractions and its usage in active bioactive film formation for shelf-life enhancement in fresh-cut fruits Food wrapping plays a critical role in maintaining the superior quality, protection, and preservation of food commodities by preventing contamination and spoilage. The current study investigated the biological potential, chromatographic profiling, molecular docking, and simulation studies of Cardiospermum halicacabum L. leaf fractions. Furthermore, the bioactive fraction of C. halicacabum was incorporated with chitosan and pectin matrices (Chi/Pec/CF) to develop an innovative antioxidative and antibacterial edible film for packaging fresh-cut fruit. Antioxidant and antimicrobial activities were estimated using different solvent extracts (petroleum ether, chloroform, and ethanol). Among these, the ethanol extract exhibited the highest free radical scavenging activity and the strongest antimicrobial activity. Furthermore, bioactivity-guided fractionation with antimicrobial activity was performed using column chromatography. The bioactive fraction was subjected to GC–MS analysis, identifying 27 phytocomponents, which were subsequently evaluated by docking analysis against DNA gyrase B from S. aureus and dihydrofolate reductase from E. coli. The results indicated that three compounds exhibited higher binding affinities than the reference compounds. The docking scores of Hit 1 (4′-pentylbicyclohexyl-4-carboxamide) were −9.57 and −16.33 kcal/mol, Hit 2 (2-formyl-9-[beta-d-ribofuranosyl] hypoxanthine) were −10.95 and −15.00 kcal/mol, and Hit 3 (2-hydroxymethyl-9-[beta-d-ribofuranosyl] hypoxanthine) were −11.18 and −14.80 kcal/mol against the respective target proteins. Moreover, the overall bioactive fraction was used to develop the Chi/Pec/CF film as a packaging material, and it was evaluated for extending the shelf life of fresh apple slices stored for 6 days at 4 °C. Overall, the results highlight the potential of these composite films as promising food packaging materials owing to their antimicrobial, antioxidative, and biodegradable properties. Antimicrobial ; Pectin ; Antioxidant ; Shelf life ; Fractionation ; Antibacterial activity ; Bioactive compound ; Active packaging Nanocomposite Films for Food Packaging ; Phytochemicals and Antioxidant Activities ; Postharvest Quality and Shelf Life Management
Authors: Kai Sheng | Zijie Xiao | Jiakun Meng | Miaomiao Tian | Xueli Cao | Jingwei Hou | Shi‐Peng Sun | Yatao Zhang | Junyong Zhu | Bart Van der Bruggen
Source: Advanced Functional Materials (article, 2026-01-10)
Field: Materials Science — Materials Chemistry

Synergistic Light‐Thermal‐Mass Engineering of Metal‐Coordinated Covalent Organic Framework Membranes for Water Purification ABSTRACT Membrane‐based photothermal evaporation and separation offer a sustainable solution for both clean water access and environmental remediation. Covalent organic framework (COF) membranes are highly attractive due to their ordered porosity and chemical tunability, yet efficient light‐to‐heat‐to‐mass conversion at the interface remains challenging. Here we present a synergistic light‐thermal‐mass engineering strategy to overcome this limitation by utilizing cation‐coordinated COF membranes. Through interfacial polymerization, we synthesized a photothermal COF with abundant nitrogen and oxygen chelating sites, followed by coordination with various divalent cations. Experimental and simulation results reveal that atomic dispersion of Co centers within a COF layer facilitates steeper interfacial gradients under one‐sun irradiation, driving intensified buoyant convection to enhance mass transport and evaporation. The representative cobalt‐COF (Co‐COF) membrane achieves an extraordinary 99.996% ion removal, which meets stringent WHO standards. Complementary frontier molecular orbital analysis indicates substantial shifts in the HOMO and LUMO energy levels, resulting in a pronounced near‐infrared redshift of the optical absorption edge. This substantially increases the photon budget for highly efficient photothermal and photocatalytic processes, conferring a high removal efficiency of volatile organic contaminants. This work underscores how precise metal ion coordination within COF structures significantly boosts both photothermal and photocatalytic efficiencies for sustainable water treatment. Covalent organic framework ; Photothermal therapy ; Membrane ; Covalent bond ; Portable water purification ; Absorption (acoustics) ; Dispersion (optics) ; Porosity ; Evaporation Covalent Organic Framework Applications ; Solar-Powered Water Purification Methods ; Membrane Separation Technologies
Authors: Shengfei Bao | Xiao Yang | Rui L. Reis | Bo Xiao | Subhas C. Kundu | Lian Duan
Source: Communications Materials (article, 2026-02-17)
Field: Materials Science — Biomaterials

Synthesis and application of silk fibroin nanoparticles for drug delivery Silk fibroin has emerged as a promising natural biomaterial due to the exceptional biocompatibility, unique functional architecture, and controllable biodegradability. It can be processed into silk fibroin nanoparticles through multiple techniques, such as microfluidic. Owing to the unique structural features, the prepared silk fibroin nanoparticles exhibit favorable drug-loading capacities and intrinsic stimulus-responsive behaviors, which have enabled their broad application in advanced drug delivery systems. This review summarizes the extraction methods and structural features of silk fibroin, as well as the fabricating and modifying strategies, physicochemical properties, and applications of silk fibroin nanoparticles. We also summarize the major challenges associated with the large-scale production and clinical translation of silk fibroin nanoparticles, including limitations in manufacturing reproducibility and quality control. Finally, we discuss several potential strategies that may help to address these barriers, with the aim of narrowing-rather than fully resolving-the current gap between fundamental laboratory research and future clinical development. Silk fibroin’s exceptional biocompatibility and biodegradability make it a promising biomaterial for drug delivery systems. Here, the authors review silk fibroin nanoparticles’ extraction, fabrication, and applications, highlighting challenges in large-scale production and proposing strategies to bridge the gap between laboratory research and clinical development, potentially advancing biomedical applications. Fibroin ; Drug delivery ; Biomaterial ; Biocompatibility ; SILK ; Nanoparticle Silk-based biomaterials and applications ; Surface Modification and Superhydrophobicity ; Electrospun Nanofibers in Biomedical Applications
Authors: Ester Giorgi | Tarita Biver | Michele Mannelli | Tania Gamberi | Matteo Becatti | Giuseppina Sabatino | Elisa Peroni | Olivier Monasson | Damiano Cirri | Chiara Gabbiani | Alessandro Pratesi
Source: Frontiers in Chemistry (article, 2026-02-25)
Field: Chemistry — Organic Chemistry

Thiosugar-functionalized gold(I)-NHC complexes as selective anticancer agents for potential targeted therapy Four novel gold(I) N-heterocyclic carbene (NHC) complexes were synthesized and characterized; they are tuned in terms of the aromatic extension of the NHC scaffold and two of them contain a thiosugar residue to enhance their cellular uptake. To verify their potential interaction with human serum albumin (HSA), ESI-MS interaction analysis and fluorescence titrations were performed. Biological studies were carried out to evaluate their possible cytotoxic effect on three ovarian cancer cell lines, i.e., A2780 (both sensitive and cisplatin-resistant), and SKOV-3. Confocal microscopy and fluorescence-activated cell sorting tests were also carried out for the four complexes. Thiosugar conjugation proved to be an effective strategy to enhance potency and selectivity, resulting in a considerable improvement compared to the corresponding complexes lacking the thiosugar moiety. Furthermore, six bioconjugates containing targeting peptides were synthesized; in most cases, no significant improvement in either cytotoxic activity or selectivity was observed, except for the LHRH peptide conjugates, which showed a slight enhancement in both cytotoxicity and selectivity compared to the unconjugated complexes. Cytotoxicity ; Peptide ; Selectivity ; Targeted therapy ; Potency ; Cytotoxic T cell ; Fluorescence ; Cell sorting ; Confocal microscopy N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Metal complexes synthesis and properties ; Click Chemistry and Applications
Authors: Ferydoon Khamooshi | Samaneh Doraji-Bonjar | Ali Reza Modarresi‐Alam | Mohammad hasan Mohammadi
Source: OBM Neurobiology (article, 2026-01-04)
Field: Chemistry — Organic Chemistry

The Role of Nitrogen-Containing Compounds in Chemical Neuroscience: Implications for Drug Development The study explores the crucial biological function of nitrogen in cyclic and acyclic structures with resonance potential, including tetrazoles, pyrroles, piperidines, and carbamates, within the realm of chemical neuroscience. It highlights the importance of these compounds for their biological properties and their ability to cross the blood-brain barrier (BBB) to reach the central nervous system (CNS). The study emphasizes the necessity for neurochemical drugs, like morphine, to effectively cross the BBB, as modifications to their nitrogen structure can significantly impact their pharmacological effects. Additionally, the research explores the biochemical mechanisms of opioid and opioid-like analgesics, focusing on the impact of nitrogen heteroatoms and resonance on the stability of drug structures. The results highlight the importance of nitrogen-containing compounds in drug development, especially in pain management and other central nervous system applications. This document provides a thorough overview of the synthesis, characterization, and uses of different nitrogen heterocycles in medicinal chemistry. Neurochemical ; Drug development ; Drug discovery ; Drug ; Central nervous system ; Function (biology) Synthesis of Tetrazole Derivatives ; Cancer Research and Treatment ; Synthesis and bioactivity of alkaloids
Authors: Ninis Yuliati | Dwi Setyawan | Retno Sari
Source: Tropical Journal of Pharmaceutical Research (article, 2026-01-05)
Field: Chemistry — Organic Chemistry

Preparation and physicochemical characterization of para-methoxycinnamic acid cocrystals using &lt;i&gt;in silico&lt;/i&gt; method Purpose: To predict in silico bond formation between para-methoxycinnamic acid (PMCA) and coformers, using Autodock software. Methods: Cocrystals were synthesized with microwave irradiation so as to support green chemistry. Cocrystal characterization was performed using Fourier-Transform Infrared Spectroscopy (FTIR), Powder X-Ray Diffraction (PXRD), Differential Scanning Calorimetry (DSC), and Scanning Electron Microscopy (SEM). Results: In silico analysis showed the presence of non-covalent bonds such as hydrogen bonds, phi-phi bonds, and Van der Waals bonds, with binding energy values of -3.70, -2.63, -2.38, -1.96, -1.86, and -1.70 kcal/mol for L-glutamine, saccharin, nicotinamide, benzoic acid, malic acid and tartaric acid, respectively. The smaller the binding energy, the easier it is to form interactions between PMCA and coformers. Characterization with FTIR showed decreases in intensity, loss, and peak absorption in cocrystals, when compared to PMCA and coformers. The PXRD diffractogram also showed new diffraction peaks in the cocrystals when compared to PMCA and coformers. Results from DSC indicated changes in the melting points of cocrystals, while SEM results showed differences in crystal surface structures between PMCA cocrystals and coformers. Conclusion: In silico analysis of cocrystal formation is the initial stage in choosing an efficient and effective coformer. Characterization using FTIR, XRD, DSC, and SEM indicates that the cocrystals formed with the coformers met the characteristics of cocrystals. Keywords: Cocrystal ; Differential scanning calorimetry ; Hydrogen bond ; Powder diffraction ; Infrared spectroscopy ; Fourier transform infrared spectroscopy ; Characterization (materials science) ; Scanning electron microscope Microwave-Assisted Synthesis and Applications ; Crystallography and molecular interactions ; Supramolecular Chemistry and Complexes
Authors: Zhiyi Sun | Shuo Wang | Xuemin Hu
Source: Polymers (article, 2026-02-12)
Field: Chemistry — Organic Chemistry

Polymer-Functionalized Nanocatalysts: Engineering Interfaces and Microenvironments for Enhanced Catalysis Polymer functionalization is rapidly emerging as a transformative strategy for enhancing nanocatalysts by reprogramming the catalytic interface, rather than simply modifying the active phase. This approach leverages the unique tunability of polymers through their chemistry, thickness, permeability, charge density, and ionic/electronic conductivity to stabilize nanophases, regulate local microenvironments, and manage mass transport. These properties significantly improve catalytic activity, selectivity, and long-term durability. This review provides an in-depth examination of key construction strategies for polymer-functionalized nanocatalysts, categorizing them into six primary platforms: neutral functional polymers, ionomers/polyelectrolytes, conductive polymers, crosslinked networks/hydrogels, hybrid polymers, and framework polymers. Additionally, we explore recent advances in electrocatalysis, photocatalysis, and thermocatalysis, addressing challenges such as the trade-off between protection and accessibility, polymer stability under extreme conditions, and the need for standardized reporting of polymer descriptors. By framing polymers as programmable interfacial materials, this review highlights their potential to unlock significant improvements in catalytic performance across various catalytic systems. Catalysis ; Nanomaterial-based catalyst ; Polymer ; Transformative learning ; Framing (construction) ; Surface modification ; Functional polymers Nanomaterials for catalytic reactions ; Electrocatalysts for Energy Conversion ; CO2 Reduction Techniques and Catalysts