jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sana Aniba | Nathalie Leclerc | Clément Falaise | Catherine Roch‐Marchal | Samah Akriche | Emmanuel Cadot | Mohamed Haouas
Source: Dalton Transactions (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Immobilization of Keggin-type polyoxometalates in cyclodextrin-based polymers for oxidation catalysis Immobilization of polyoxometalates (POMs) in organic materials by electrostatic attraction has emerged as one of the most effective methods to design robust and efficient heterogeneous catalysts. However, alternative strategies based on other weak supramolecular interactions, such as molecular recognition, remain less explored. In the present work, we investigate the adsorption capacity of insoluble γ-cyclodextrin (γ-CD)-based polymers towards Keggin-type POMs driven by the chaotropic effect, to design supramolecular hybrid composites for oxidative catalysis. First, the polymeric host materials were synthesized by crosslinking γ-CD with epichlorohydrin (EPI) and fully characterized by infrared spectroscopy, solid-state NMR and thermogravimetric analysis (TGA). Four POMs, [PW<sub>12</sub>O<sub>40</sub>]<sup>3-</sup>, [PV<sup>V</sup>W<sub>11</sub>O<sub>40</sub>]<sup>4-</sup>, [PV<sup>IV</sup>W<sub>11</sub>O<sub>40</sub>]<sup>5-</sup>, and [H<sub>2</sub>W<sub>12</sub>O<sub>40</sub>]<sup>6-</sup>, with different ionic charges and chemical compositions, were studied to evaluate and compare their adsorption kinetics and equilibrium isotherms. The results show a fast and efficient adsorption process for all POMs, characterized by pseudo-second-order kinetics and a Langmuir isotherm model. The obtained POM@CD-EPI hybrids were then tested as heterogeneous catalysts in the oxidation reaction of benzyl alcohol. Excellent catalytic performances in terms of conversion (up to 100%), selectivity towards benzoic acid (up to 100%), and recyclability (up to 5 cycles) were achieved under mild conditions (60 °C/24 h) using <i>tert</i>-butyl hydroperoxide as the oxidizing agent. However, the use of H<sub>2</sub>O<sub>2</sub> as an oxidant led to lower catalytic performance due to the rapid degradation of the POM-polymer composites under these conditions. It is then proposed that the POM-CD host-guest supramolecular arrangement plays a key role in both catalyst stability and the selective oxidation mechanism. Polyoxometalate ; Catalysis ; Cyclodextrin ; Chemistry ; Polymer ; Combinatorial chemistry ; Heterogeneous catalysis ; Organic chemistry Polyoxometalates: Synthesis and Applications ; Chemical Synthesis and Reactions ; Oxidative Organic Chemistry Reactions
Authors: Keamohetse Asmiralda Makgoana | Alex T. Kuvarega | Kutloano Edward Sekhosana | Lawrence Mzukisi Madikizela
Source: Journal of Polymer Research (article, 2025-07-01)
Field: Chemistry — Analytical Chemistry

Synthesis and application of a molecularly imprinted polymer for the selective adsorption of emtricitabine in river water and wastewater Abstract In this work, a 2-vinylpyridine-based molecularly imprinted polymer (MIP) was synthesized, characterized, and applied for the adsorption of emtricitabine in river water, and wastewater treatment plant influent and effluent. Emtricitabine, 2-vinylpyridine, ethylene glycol dimethacrylate, 1,1´-azobis-(cyclo-hexanecarbonitrile), and toluene were used for the synthesis of MIP at 70 ℃ for 24 h as template, functional monomer, cross-linker, initiator, and porogen solvent, respectively. A non-imprinted polymer (NIP) was synthesized under the same conditions without a template molecule. The resulting polymers were characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, thermogravimetric analysis, and X-ray diffraction. The adsorption of emtricitabine in aqueous solutions using the synthesized MIP followed a pseudo-second-order kinetic model and Freundlich adsorption isotherm. These results suggested that a multilayer chemisorption occurred on heterogeneous sites and controlled the adsorption rate. The adsorption performance of the MIP was superior when compared to that of NIP. The reusability studies revealed that MIP can be reused for 5 cycles with extraction efficiencies exceeding 80%. Furthermore, the extraction efficiency for MIP was above 80% for emtricitabine in the presence of competitors with a distribution coefficient of 1.62 mg g −1 . This translated to the adsorption capacity of 4.75, 4.71, and 4.65 mg g −1 for MIP in river water, effluent, and influent, respectively. The results demonstrated that the MIP exhibited high selectivity and extraction efficiency, indicating its potential application in the adsorption of emtricitabine in surface water and wastewater. Materials science ; Adsorption ; Molecularly imprinted polymer ; Wastewater ; Polymer ; Molecular imprinting ; Chemical engineering ; Organic chemistry ; Environmental engineering ; Composite material ; Environmental science ; Selectivity ; Catalysis ; Chemistry Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal ; Nanomaterials for catalytic reactions
Authors: Meena Choudhary | Nandana Chakinala | Pooja Saini | Praveen K. Surolia | Anand G. Chakinala
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Carbon foams derived from biomass with ultra-high adsorption capacity for the removal of tetracycline Biomass-derived carbon foam (CF/ZIF-8) for tetracycline removal via batch and column adsorption, highlighting key adsorption mechanisms. Adsorption ; Biomass (ecology) ; Tetracycline ; Carbon fibers ; Chemical engineering ; Chemistry ; Environmental chemistry ; Materials science ; Waste management ; Composite material ; Organic chemistry ; Composite number ; Ecology ; Biology ; Biochemistry ; Antibiotics ; Engineering Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies ; Adsorption and biosorption for pollutant removal
Authors: Ahmed E. Alprol | Ahmed M. Bakr | Sameerah I. Al‐Saeedi | Ehab El‐Haroun | Mohamed Ashour
Source: Frontiers in Marine Science (article, 2025-09-17)
Field: Chemistry — Analytical Chemistry

Sunlight-driven degradation of acid red 14 using a ZnO-doped carbon-ammonia composite: kinetics, equilibrium, and thermodynamic studies To identify the efficacy of a ZnO-doped activated carbon-ammonia (AC-ZnO-NH3) composite on photocatalytic degradation of Acid Red 14 (AR14) dye from aqueous solutions, the compositional and structural properties of the assembled composite were evaluated by FTIR, XRD, SEM and EDX. The material was synthesized and characterized using FTIR, XRD, SEM, and EDX, confirming the successful incorporation of ZnO and nitrogen functionalities. The composite achieved a maximum AR14 removal efficiency of 95.55% under optimal conditions (pH 3, catalyst dose of 0.18 g, and dye concentration of 25 mg/L). The kinetic data fitted well with the pseudo-second-order model, suggesting chemisorption as the primary mechanism. Adsorption equilibrium followed the Henderson isotherm model, indicating a heterogeneous surface. Thermodynamic analysis revealed that the process is endothermic and spontaneous at higher temperatures, with positive ΔH° and negative ΔG° values. Additionally, the presence of hydrogen peroxide (H 2 O 2 ) enhanced photocatalytic efficiency by reducing the dye’s half-life from 382.9 min to 289.3 min. The composite exhibited partial reusability across three cycles, supporting its potential for practical application. These findings highlight the composite’s effectiveness as a sustainable and cost-efficient photocatalyst for azo dye removal under natural sunlight. Endothermic process ; Photocatalysis ; Composite number ; Adsorption ; Degradation (telecommunications) ; Hydrogen peroxide ; Reusability ; Aqueous solution Dye analysis and toxicity ; Electrochemical sensors and biosensors ; Water Quality Monitoring and Analysis
Authors: Inga Skans | Mthokozisi Mnguni | Philiswa N. Nomngongo
Source: Analytical Science Advances (article, 2025-05-25)
Field: Chemistry — Inorganic Chemistry

Waste PET Plastic‐Derived UIO‐66(Zr)‐MOF Adsorbent for Dispersive Solid Phase Extraction and Removal of Penicillin Antibiotics Water Systems The extensive use or misuse of broad-spectrum antibiotics such as penicillins and their existence in various water bodies is still one of increasing global concern due to their persistent nature, which could potentially lead to human health and environmental risks. Recycling or upcycling plastic waste to value-added products such as metal-organic frameworks (MOF) to solve other environmental problems, such as water pollution, has received more attention. As a result, UiO-66(Zr)-MOF derived from recycled waste PET bottles (PET-derived UiO-66(Zr)-MOF) was investigated for enrichment and removal of amoxicillin (AMX) and penicillin G (PNG) in water bodies. The synthesised adsorbent was characterised using different analytical characterisation techniques. UiO-66(Zr)-MOF produced the maximum adsorption capacities of 139 and 147 mg/g for AMX and PNG, respectively. Freundlich and pseudo-second-order kinetics models best explained the adsorption process. The dispersive micro-solid phase extraction (D-μ-SPE) of the target analytes was performed using a high-performance liquid chromatography-diode array detector (HPLC-DAD). The effectiveness of the developed method was confirmed by its remarkable analytical performances, such as limits of detection (0.19-0.21 µg/L) while the linear range was 0.6-1000 µg/L. The feasibility and applicability of the validated UiO-66(Zr)-MOF-D-μ-SPE/HPLC-DAD method were confirmed by applying it in real water analysis. The AMX and PNG were detected in wastewater samples in the ranges of 1.51-4.71 µg/L and 0.195-1.19 µg/L for influent and effluent. The spike recoveries ranged from 89.9% to 101%, while the precision (intraday and interday) of the method was less than 5%. Adsorption ; Solid phase extraction ; Freundlich equation ; Wastewater ; High-performance liquid chromatography ; Extraction (chemistry) ; Materials science ; Metal-organic framework ; Chromatography ; Detection limit ; Nuclear chemistry ; Chemistry ; Waste management ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Analytical chemistry methods development
Authors: Saniya R. Rakisheva | Anastassiya A. Mashentseva | Nuraiym B. Yessengaliyeva | Murat Barsbay | Ф. У. Абуова | Dmitriy A. Zheltov
Source: Scientific Reports (article, 2025-10-17)
Field: Chemistry — Inorganic Chemistry

MOF-decorated track-etched membranes for the U(VI) ions sorption removal This study presents the development of metal-organic framework functionalized track-etched membranes (MOF@TeMs) as efficient adsorbents for uranium(VI) removal from water. Poly(N-vinylformamide) was grafted onto PET membranes by UV-induced RAFT polymerization, hydrolyzed to poly(vinylamine), and further modified with terminal alkyne groups. Chromium-based MIL-101 MOFs were post-synthetically functionalized with azide groups and covalently immobilized onto the membrane surface through copper-catalyzed azide-alkyne cycloaddition. This covalent click-immobilization strategy provided a stable integration of MOFs onto polymer track-etched membranes, which has not been demonstrated previously for uranium(VI) sorption. Comprehensive characterization, including FTIR, XPS, SEM/EDX, BET, and contact angle, confirmed each modification step and successful MOF integration. The resulting composites displayed a uranium adsorption capacity of 418 mg g<sup>-1</sup> at pH 6.3, with kinetics following a pseudo-second-order model and isotherm fitting best to the Freundlich equation, indicating heterogeneous sorption sites. The Dubinin-Radushkevich model yielded an adsorption energy of 14.4 kJ·mol<sup>-1</sup>, consistent with coordination-driven interactions. Despite the relatively long equilibrium time (96 h), the membranes retained 70% of their capacity after five regeneration cycles and showed strong selectivity for U(VI) over competing cations (Co<sup>2+</sup>, Cr<sup>2+</sup>, Pb<sup>2+</sup>, Zr<sup>2+</sup>, Zn<sup>2+</sup>). The membrane architecture offers mechanical stability, reusability, and ease of handling, highlighting the potential of MOF-immobilized TeMs as practical sorbents for uranium remediation. Membrane ; Adsorption ; Sorption ; Covalent bond ; Hydrolysis ; Azide ; Uranium ; Selectivity Radioactive element chemistry and processing ; Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications
Authors: Hanieh Kolahi Azar | Leila Sabouri | Nima Beheshtizadeh | Reza Maleki
Source: Scientific Reports (article, 2025-11-25)
Field: Materials Science — Biomaterials

pH-stimuli-responsive doxorubicin release and stability in chitosan–Eudragit nanocarriers The efficacy of pH-responsive nanocarriers in targeted cancer therapy hinges on their stability in circulation (pH 7.4) and controlled drug release in the acidic tumor microenvironment (pH ~ 5-6.5). This study elucidates the molecular mechanism of doxorubicin (DOX) interaction with and release from chitosan–Eudragit nanocarriers using integrated all-atom (AA-MD) and coarse-grained (CG-MD) molecular dynamics simulations. Our simulations reveal a stark contrast in behavior between neutral (pH 7) and acidic (pH 5) conditions. At pH 7, the system exhibits remarkable stability, characterized by a lower average RMSD (5.25 nm vs. 5.84 nm at pH 5) and significantly stronger drug-carrier binding. This is evidenced by an approximately three-fold larger drug-nanocarrier contact surface area and a > 50% higher number of stabilizing hydrogen bonds compared to acidic conditions. The protonation of ionizable groups at pH 5 induces electrostatic repulsion, leading to nanocarrier deformation, a drastic reduction in interactions, and ultimately, DOX release. The consistency of these findings across both AA-MD and CG-MD simulations validates the robustness of our models. This work provides a fundamental molecular-level understanding of the pH-responsive behavior of chitosan–Eudragit carriers, confirming their high potential for targeted DOX delivery and establishing a computational framework for the rational design of next-generation smart nanocarriers. Nanocarriers ; Doxorubicin ; Protonation ; Molecular dynamics ; Rational design ; Drug delivery ; Hydrogen bond ; Cancer therapy Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Hydrogels: synthesis, properties, applications
Authors: Gautam Priyadarshi | Jaydip Kachhadiya | Dipti Shah | Bhakti K. Patel | Sherzodbek Tashbaev | Gulomov Gafurjon Shavkatbek Ugli | Mrugesh Trivedi | Dipak Kumar Sahoo | Ashish Patel
Source: Macromolecular Materials and Engineering (article, 2025-10-23)
Field: Chemistry — Organic Chemistry

Microwave‐Assisted Synthesis of Chitosan–Iron Oxide (CS@Fe <sub>3</sub> O <sub>4</sub> ) Nanocomposite for Removal of Cationic and Anionic Dyes ABSTRACT The present study investigates the microwave‐assisted synthesis of a Chitosan‐Iron Oxide (CS@Fe 3 O 4 ) nanocomposite for the removal of Alizarine Red (AR) and Malachite Green (MG) dyes. The synthesized materials were characterized by XRD, FTIR, SEM, TEM, and pHZPC to evaluate their elemental compositions, functional groups, surface structures, and surface charge. The AR and MG dye removal experiments were conducted using a UV–vis spectrophotometer at 432 and 617 nm wavelength, respectively, under various conditions including concentration (20–100 mg L −1 ), contact time (0– 120 min for AR and 0–60 for MG), dose (0.4–2 g L −1 ), pH (2–12). The maximum removals of 91% &amp; 96% obtained at 2 and 10 pH, 5 and 100 mg L −1 concentration, 1 &amp; 2 g L −1 dose of CS@Fe 3 O 4 for AR &amp; MG dyes, respectively. Adsorption kinetics were determined to be pseudo‐second order for both linear and non‐linear regression. The Langmuir adsorption capacity was 82.29 and 46.73 mg g −1 for AR and MG dyes, respectively. The thermodynamic parameters observed a spontaneous and endothermic. The field applicability of the adsorbent was confirmed through ionic strength, regeneration capacity, rapid and low‐cost synthesis, with potential applicability in wastewater treatment. Adsorption ; Nanocomposite ; Malachite green ; Cationic polymerization ; Langmuir adsorption model ; Oxide ; Langmuir ; Kinetics Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Microwave-Assisted Synthesis and Applications
Authors: Eva Clemente | Ruth Mateu | Avelino Ferreira | Tanja Ursula Lüdtke | Hender López | Sergio Moya | Luigi Lay | Mahmoud G. Soliman | Marco P. Monopoli
Source: Frontiers in Nanotechnology (article, 2025-01-13)
Field: Materials Science — Biomaterials

Monosaccharide coatings on nanoparticles affect protein corona formation but not the interaction with their binding receptor Surface coatings with polyethylene glycol (PEG) polymers have often been employed to improve nanoparticles (NPs) biocompatibility and extend circulation time by reducing protein adsorption. PEGylated NPs benefit from steric hindrance and repulsion effects, which are influenced by PEG molecular weight, density, and chain conformation. However, repetitive exposure to PEG can trigger acute and chronic immunological responses as a result of the development of Immunoglobulin G anti-PEG antibodies. NPs functionalisation with glycans has become an emerging approach to increase their biocompatibility as these biomolecules are highly hydrophilic, biocompatible interact with biological receptors expressed in the body, and can be conjugated, controlling their orientation. In this study, we developed a series of gold NPs (AuNPs) coated with PEG linkers of different lengths and conjugated with mannose (Man) or sialic acid (Sia) glycans, and we carried out a detailed characterisation prior to and after exposure to biological fluids to study their behaviour and protein corona formation. Our findings show that the glycan-coated NPs exhibit stabilisation after protein interaction, with Man coatings showing the lowest protein affinity and that the glycans are biologically active and capable of binding to glycan receptors (such as Concanavalin A ) despite the presence of a complex protein environment. Results indicate that glycan modification of PEGylated NPs reduces nonspecific interactions while preserving active targeting properties, underscoring their potential for therapeutic applications. Glycan ; Biocompatibility ; PEGylation ; Protein adsorption ; PEG ratio ; Polyethylene glycol ; Biomolecule ; Biophysics ; Chemistry ; Conjugated system ; Nanomedicine ; Nanoparticle ; Glycoprotein ; Materials science ; Nanotechnology ; Biochemistry ; Adsorption ; Polymer ; Organic chemistry Nanoparticle-Based Drug Delivery ; Polymer Surface Interaction Studies ; Advanced Drug Delivery Systems
Authors: Maria Khan | Afzal Shah | Mohsin Javed
Source: Discover Electrochemistry. (article, 2025-08-20)
Field: Chemistry — Electrochemistry

Electrocatalytic detection and adsorptive removal of rose bengal dye from wastewater Abstract A novel nanomaterial-based strategy is introduced that serves a dual purpose: the detection and removal of a hazardous dye Rose Bengal (RB) from wastewater. This approach aligns with the critical objective of promoting sustainable water management. Zinc oxide nanoparticles doped with 4% Fe (Fe–ZnO NPs), synthesized via a sol–gel method and characterized by UV–Vis, XRD, and FTIR, were integrated with multi-walled carbon nanotubes (MWCNTs) to modify a glassy carbon electrode, forming an electrochemical nanosensor for RB detection. The sensor demonstrated excellent sensitivity, selectivity, and reproducibility, achieving a detection limit as low as 70 pM under optimized conditions (10 s deposition time, 0 V deposition potential, and 0.2 M NaOH as the electrolyte). Electrochemical impedance spectroscopy confirmed efficient charge transport on the sensing platform. For dye removal, BiOCl NPs exhibited high adsorption efficiency, removing up to 95.5% of RB within 360 min at pH 5.4, with a maximum adsorption capacity (q m ) of 37.73 mg/g. The adsorption followed Langmuir isotherm behavior at low concentrations and Freundlich behavior at higher concentrations, with kinetics conforming to a pseudo-second-order model. This work highlights the integrated use of nanomaterials for simultaneous monitoring and remediation of dye pollutants, offering a cost-effective and environmentally friendly strategy for wastewater treatment. Rose bengal ; Wastewater ; Rose (mathematics) ; BENGAL ; Chemistry ; Pulp and paper industry ; Environmental science ; Environmental engineering ; Geography ; Engineering ; Organic chemistry ; Biology ; Horticulture ; Archaeology Electrochemical Analysis and Applications ; Water Quality Monitoring and Analysis ; Electrochemical sensors and biosensors
Authors: Supattra Klayya | Patcharee Pripdeevech | Emiliano Bilotti | Han Zhang | Nattakan Soykeabkaew
Source: RSC Applied Polymers (article, 2025-01-01)
Field: Materials Science — Biomaterials

High barrier bio-nanocomposite films of ethyl cellulose integrated with modified nanocellulose: effect of nanocellulose's substituted side chains on film performance Integrating modified nanofibrillated cellulose (mNFC) into an ethyl cellulose (EC) matrix can significantly increase film barrier properties due to their high compatibility and strong interface, which is controlled by the substituted side chain. Nanocellulose ; Nanocomposite ; Side chain ; Cellulose ; Materials science ; Ethyl cellulose ; Chemical engineering ; Nanotechnology ; Polymer chemistry ; Polymer science ; Composite material ; Polymer ; Engineering Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Lignin and Wood Chemistry
Authors: Sanad Altarawneh | John Luke Woodliffe
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Kinetics of CO<sub>2</sub> adsorption on UTSA-16(Zn) metal–organic framework: thermal, compositional, and geometrical effects A kinetic study on the adsorption of CO 2 on MOF UTSA-16(Zn) in the presence of different binders. A mixed order model was able to describe the adsorption data, suggesting a combined controlling nature of surface adsorption and diffusion. Adsorption ; Kinetics ; Metal-organic framework ; Metal ; Thermal ; Chemistry ; Chemical engineering ; Materials science ; Thermodynamics ; Physical chemistry ; Organic chemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Phase Equilibria and Thermodynamics ; Carbon Dioxide Capture Technologies