jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: John Busayo Adeoye | Sie Yon Lau | Yie Hua Tan | Yee Yong Tan | Tung Chiong | Nabisab Mujawar Mubarak | Mohammad Khalid | Jonathan Ng
Source: Scientific Reports (article, 2025-08-28)
Field: Chemistry — Organic Chemistry

Efficient dye removal from aqueous solution using a hybrid GA@ZnO-AC nanocomposite Environmental damage caused by colored effluents poses a threat to the environment, as vast amounts of harmful water contamination are regularly discharged into water sources. The hybrid nanocomposite was successfully synthesized using hydrothermal and thermal treatment methods. A prepared hybrid nanostructure metal composite material, utilizing gallic acid (GA@ZnO-AC), was synthesized and employed for the treatment of methylene blue (MB) in an aqueous environment via adsorption. FTIR, SEM-EDX, BET, and XRD analyses were performed on the hybrid composite. The ZnO, ZnO-AC, and GA@ZnO-AC have a BET surface area of 3.7360, 491.8929, and 467.51 m<sup>2</sup>/g, pore volume of 0.004039, 0.286580, and 0.247606 cm<sup>3</sup>/g, and average pore diameter of 4.3240, 2.3304, and 2.1185 nm, respectively. TGA and TEM results indicate that the material is thermally stable due to its phase transition and exhibits a nano-scale shape. The adsorptive performance of nanocomposites ZnO-AC and GA@ZnO-AC for MB removal was significantly influenced by contact time (60 min), temperature (298 K), adsorbent dosage (60 mg (ZnO-AC), 50 mg (GA@ZnO-AC)), and pH (11). The percentage absorbed MB was 98.61% for ZnO-AC and 98.30% for GA@ZnO-AC at their optimum condition. The Langmuir isotherm showed that ZnO-AC and GA@ZnO-AC had the highest adsorption capacities of 153.85 mg/g and 175.44 mg/g, respectively, at 298 K. Isotherm, kinetics, and thermodynamics studies showed that the results fitted the Redlich-Peterson and PSO models, which indicated a spontaneous, feasible, exothermic, and physisorption process. This study presents a low-cost hybrid material that addresses environmental concerns related to the removal of dyes from aqueous media. Nanocomposite ; Aqueous solution ; Materials science ; Chemical engineering ; Nuclear chemistry ; Nanotechnology ; Chemistry ; Organic chemistry Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal
Authors: Célia Karina Maia Cardoso | Ícaro Thiago Andrade Moreira | Antônio Fernando de Souza Queiroz | Olívia Maria Cordeiro de Oliveira | Ana Katerine de Carvalho Lima Lobato
Source: Resources (article, 2025-09-08)
Field: Materials Science — Surfaces, Coatings and Films

Bio-Based Sorbents for Marine Oil Spill Response: Advances in Modification, Circularity, and Waste Valorization Marine oil spills remain a recurring environmental concern, particularly in coastal and estuarine areas. Among the available strategies for managing spilled oil, sorbents derived from natural fibers have attracted considerable interest as viable alternatives to synthetic materials due to their biodegradability, low cost, and alignment with circular economy principles. This review synthesizes recent advances by connecting technical and environmental aspects with operational applications. It emphasizes structural and surface modifications of lignocellulosic fibers to enhance petroleum sorption capacity, selectivity, buoyancy, and reusability. Physical, chemical, and biological approaches are discussed, focusing on how these modifications influence sorption dynamics under realistic conditions. The review also highlights the incorporation of agricultural and industrial residues as raw materials, along with regeneration and reuse strategies that support waste valorization. However, significant gaps remain, such as the lack of studies with weathered crude oils, the limitation of larger-scale testing, and the need for standardized methods and evaluation of the final fate of exhausted biosorbents. Through the integration of technical, environmental, and operational criteria, this review provides a critical foundation for developing more efficient and circular marine oil spill response technologies. Oil spill ; Reuse ; Circular economy ; Sorption ; Raw material ; Petroleum ; Foundation (evidence) ; Resource recovery ; Petroleum product Surface Modification and Superhydrophobicity ; Microplastics and Plastic Pollution ; Electrospun Nanofibers in Biomedical Applications
Authors: Claire Hotton | Yasine Sakhawoth | Anne‐Laure Rollet | Juliette Sirieix‐Plénet | Lingsam Tea | Sophie Combet | Melissa Sharp | Ingo Hoffmann | Frédéric Nallet | Natalie Malikova
Source: Comptes Rendus Chimie (article, 2025-01-23)
Field: Chemistry — Physical and Theoretical Chemistry

Ion-specific effects in polyelectrolyte solutions: chain–chain interactions, chain rigidity and dynamics In this article, ion-specific effects in aqueous solutions of polyelectrolytes (PEs) are addressed. We focus on ionene cationic chains, featuring simple structure, absence of side groups, and very regular chain charge density. Ion-specific effects in ionene solutions are demonstrated using a series of monovalent (halide) counterions. The study combines both static and dynamic measurements by small angle neutron scattering, neutron spin echo (NSE), and pulsed field gradient NMR (PFG-NMR). Ion-specific effects are a phenomenon at high PE concentration, and the nature of the counterion is seen to influence drastically ionene chain–chain interactions via what we refer to as “ion-specific screening”. The origin lies in the closer approach of large, highly polarisable counterions to the chain backbone, leading to more constricted counterion clouds. Equally affected is the local chain rigidity as well as collective and self-diffusion coefficients at larger scales. Small, nonpolarisable, strongly hydrating counterions, here F - ions, lead to locally rigid chains. For such chains, the nm-scale collective dynamics as seen by NSE is the fastest while self-diffusion seen at the µm scale by PFG-NMR is the slowest. In other words, the loss of charge on the chain due to ion-specific screening has the opposite effect on collective diffusion and self-diffusion of the chains. Polyelectrolyte ; Chain (unit) ; Rigidity (electromagnetism) ; Ion ; Chemistry ; Chemical physics ; Single chain ; Materials science ; Polymer chemistry ; Polymer ; Physics ; Organic chemistry Electrostatics and Colloid Interactions ; Spectroscopy and Quantum Chemical Studies ; Surfactants and Colloidal Systems
Authors: Jules Bellon | Feriel Bacoup | Stéphane Marais | Richard Gattin
Source: Materials (article, 2025-08-18)
Field: Materials Science — Polymers and Plastics

PLA, PBS, and PBAT Biocomposites—Part A: Matrix–Filler Interactions with Agro-Industrial Waste Fillers (Brewer’s Spent Grain, Orange Peel) and Their Influence on Thermal, Mechanical, and Water Sorption Properties Plastic pollution, largely driven by packaging waste, calls for sustainable alternatives. This study investigates biodegradable thermoplastic biocomposites based on PLA, PBS, and PBAT, incorporating 10 wt.% of agro-industrial filler-brewers' spent grain (BSG) and orange peel (OP) without compatibilization. The biocomposites were produced by melt extrusion followed by thermo-compression. A full factorial design was implemented to assess matrix-filler interactions and compare biocomposites to pure polymer fragments. OP particles, smaller and rougher than BSG, exhibited a higher specific surface area, influencing composite morphology and behavior. The OP slightly plasticized PLA, possibly due to volatile release during processing, whereas BSG increased stiffness in PBS and PBAT. Both fillers reduced mechanical strength, especially in PLA, due to limited interfacial adhesion, and significantly decreased PLA's thermal stability. The addition of fillers also increased water sorption and modified the sorption kinetics of the three main modes (Langmuir-type, Henry's law sorption, and water molecule clustering), as well as the values of the half-sorption diffusion coefficients (D<sub>1</sub> and D<sub>2</sub>), with notable differences between the OP and BSG linked to their structure and composition. These findings provide a better understanding of structure-property relationships in biodegradable composites and highlight their potential for sustainable packaging and other industrial applications. Filler (materials) ; Materials science ; Sorption ; Composite material ; Orange (colour) ; Food science ; Chemistry ; Adsorption ; Organic chemistry Natural Fiber Reinforced Composites ; biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies
Authors: Shenzhen Cong | Si Sun | Yijing Zhang | Ming Wang | Zhehua Jia | Youhua Zhao | Huan Pang
Source: Advanced Functional Materials (article, 2025-08-13)
Field: Chemistry — Inorganic Chemistry

Regulating the Growth Orientation of ZIF‐L Membrane for H <sub>2</sub> /CO <sub>2</sub> Separation Abstract Metal–organic framework (MOF) membranes offer a wide range of applications, including simultaneous hydrogen generation and decarbonization. The permselectivity of gas molecules can be considerably increased by optimizing the oriented of MOF membranes, and it is possible to construct MOF membranes with high permeance and high selectivity. Here, chelation‐assisted interfacial growth is used to prepare ZIF‐L membranes for H 2 /CO 2 separation. The growth rate of the ZIF‐L crystal plane is regulated by optimizing the interface Zn 2+ diffusion, and a ZIF‐L membrane with preferred orientation is constructed for efficient separation of H 2 /CO 2 . The optimized ZIF‐L membrane has an H 2 permeance of over 2000 GPU, and the H 2 /CO 2 selectivity exceeds 30. Additionally, the prepared ZIF‐L membrane exhibits outstanding operating stability and tolerance, making it a promising candidate for industrial applications. Materials science ; Orientation (vector space) ; Separation (statistics) ; Membrane ; Chemical engineering ; Crystallography ; Nanotechnology ; Geometry ; Machine learning ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: Jiali Guo | Kai Xu | Jesika Asatryan | Matías J. Alonso‐Navarro | Osnat Zapata‐Arteaga | Mariavittoria Craighero | Aleksandr Perevedentsev | Renee Kroon | María Mar Ramos | José L. Segura | Jaime Martín | Christian Müller | J. S. Reparaz | Mariano Campoy‐Quiles
Source: Advanced Functional Materials (article, 2025-07-25)
Field: Materials Science — Materials Chemistry

Microstructural Evolution Dominates the Changes in the Thermal Conductivity of Conjugated Polymers Upon Doping Abstract In this study, the correlation between the changes in microstructure of conjugated polymers upon doping and their concomitant thermal transport properties is elucidated. Eight conjugated polymers across distinct doping systems are examined: molecular dopants, Lewis acid type dopants, and ion‐exchange systems. These findings indicate that, upon doping, there is a decrease in out‐of‐plane thermal conductivity for five polymers characterized by high structural order, such as those based on thiophene, diketopyrrolopyrrole, and terthiophene‐naphthalimide copolymers. Conversely, for polymers with less ordered structures, including regioregular poly(3‐hexylthiophene) and thiophene‐based polymers with oligoether side chains, an increase in out‐of‐plane thermal conductivity is observed. To elucidate these trends, several hypotheses are examined: i) enhanced intrinsic thermal anisotropy originating from backbone orientation, ii) variations in the crystalline to amorphous fraction, and (iii) alloying effects resulting from dopant incorporation. Grazing incidence wide‐angle X‐ray scattering reveals that in‐plane alignment exerts a direct influence on both in‐plane and out‐of‐plane thermal conductivities. Photooxidation experiments provide further insights into the role of alloy scattering. Ultimately, the in‐plane thermoelectric figure of merit is ascertained for two diketopyrrolopyrrole‐based polymers, underscoring the critical importance of measuring thermal and electrical properties in the same orientation to ensure precise thermoelectric evaluation. Materials science ; Conjugated system ; Doping ; Polymer ; Thermal conductivity ; Conductivity ; Thermal ; Chemical engineering ; Chemical physics ; Composite material ; Thermodynamics ; Physical chemistry ; Optoelectronics Thermal properties of materials ; Advanced Thermoelectric Materials and Devices ; Conducting polymers and applications
Authors: Fuqiang Chen | Hua Shang | Guangtong Hai | Xinlei Huang | Zhe Chu | Haoran Sun | Yang Liu | Qiwei Yang | Zhiguo Zhang | Qilong Ren | Zongbi Bao
Source: Angewandte Chemie International Edition (article, 2025-07-08)
Field: Chemistry — Inorganic Chemistry

Sub‐Ångstrom Pore Engineering in Carbon Molecular Sieves Realizes Diffusion‐Gated Kinetic Sieving of Alkenes from Alkanes Sub-Ångstrom pore engineering offers a new paradigm for molecular separations. Here, we report sucrose-derived carbon molecular sieves (CMSs) with precisely tailored sub-Ångstrom slit pores that enable diffusion-gated kinetic sieving for the challenging separation of alkenes from alkanes. The optimized materials, C-Suc-650 and C-Suc-750, set new industry-leading standards for the kinetic separation of C<sub>3</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>, respectively. Through a combination of breakthrough experiments, pressure swing adsorption (PSA) simulations, and molecular dynamics (MD) modeling, we demonstrate that these sieves consistently achieve >99.9% alkene purity, with outstanding selectivity, rapid uptake kinetics, and remarkably low energy consumption. Mechanistic studies reveal that slit pore architecture uniquely enhances alkene diffusion while hindering alkane movement, establishing a clear design principle for next-generation, energy-efficient gas separations. These results provide a blueprint for exploiting diffusion-gated kinetic sieving at the sub-Ångstrom scale to address longstanding challenges in industrial gas purification. Molecular sieve ; Alkene ; Kinetic energy ; Diffusion ; Adsorption ; Chemistry ; Alkane ; Chemical engineering ; Pressure swing adsorption ; Molecular dynamics ; Molecular engineering ; Selectivity ; Triptycene ; Carbon fibers ; Nanotechnology ; Materials science ; Chemical physics ; Catalysis ; Physical chemistry ; Thermodynamics ; Organic chemistry ; Computational chemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Zeolite Catalysis and Synthesis
Authors: Hiroshi Kimura | Hiroyoshi Tanabe | Susumu Shinoki
Source: Fluids (article, 2025-07-06)
Field: Materials Science — Biomaterials

Zeta Potential as a Key Indicator of Network Structure and Rheological Behavior in Smectite Clay Dispersions Smectite clay minerals are known to readily form thixotropic physical gels in aqueous media, even at low volume fractions. Although the rheological properties of these gels are closely related to the microstructure of the network, the influence of the clay’s physicochemical characteristics remains insufficiently understood. In this study, we systematically investigated the relationships between particle size, cation exchange capacity, and zeta potential, and the rheological behavior of aqueous dispersions of four synthetic smectites. After thorough deionization, dispersions were prepared at controlled NaCl concentrations. We found that the zeta potential strongly correlates with the fineness of the network structure and governs macroscopic rheological responses such as viscosity, yield stress, and gelation behavior. Even under identical conditions, gel transparency and structural coarseness varied significantly among clay types. Furthermore, the storage modulus was influenced not only by network density but also by the intrinsic stiffness of the clay branches. These findings demonstrate that zeta potential serves as a unified indicator of structure and function in smectite dispersions and offer useful insights for gel design in colloidal and soft matter systems. Rheology ; Zeta potential ; Clay minerals ; Key (lock) ; Geology ; Materials science ; Mineralogy ; Computer science ; Nanotechnology ; Composite material ; Nanoparticle Clay minerals and soil interactions ; Soil and Unsaturated Flow
Authors: Quan Yuan | Ge Qin | Xiujuan Zou | Yi Zhang | Yuhang Yang | Boyan Fu | Ruoyu Lin | Boxin He | Shuming Wang | Din Ping Tsai | Shining Zhu | Zhenlin Wang
Source: PhotoniX (article, 2025-05-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Scalable high-efficiency metasurface-refractive retro-reflector Abstract A retroreflector, an optical device that reflects light back along its incident path, plays a crucial role in optics. However, achieving high-efficiency, large-area retroreflection in planar optical systems remains a persistent challenge, constrained by the bulky nature of traditional designs like corner cube mirrors and cat’s eye retroreflectors. Here, we demonstrate a scalable metasurface-refractive retroreflector (MRR) that combines a refractive lens and meta-lens, achieving polarization-independent retroreflection with a half power field of view (FOV) of 70° and 88.5% efficiency at normal incident. The scalability of the MRR enables straightforward planar expansion into arrays, facilitating large-area effective retroreflection. Additionally, a moving object equipped with MRR is observed in a laser tracking experiment. The metasurface-refractive architecture evidently improves the functionality of the retroreflector, and paves a new path in the field of smart optical device design. Reflector (photography) ; Scalability ; Optics ; Optoelectronics ; Computer science ; Materials science ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Quentin Sirvin | Julien Genée | Benjamin Dod | Daniel Monceau | Damien Texier
Source: Metallurgical and Materials Transactions A (article, 2025-03-19)
Field: Materials Science — Materials Chemistry

Oxygen Ingress in Titanium and Its Alloys After High-Temperature Oxidation: A Competition Between Strengthening and Embrittlement High-temperature oxidation of titanium leads to the formation of an external oxide scale and oxygen ingress into the metallic titanium material. Oxygen ingress can be significant due to the high solubility of O within Ti. An oxygen-rich layer (ORL) thus forms beneath the external oxide scale, exhibiting a brittle behavior. Microtensile specimens were used in order to exacerbate surface effects, i.e., surface reactivity in the case of the oxidation of titanium. Playing with the specimen thickness and pre-oxidation durations, it was possible to evaluate the evolution of tensile strength as well as the reduction in ductility for deep extensions of ORL relative to the specimen thickness (high fraction of ORL). In addition, ultrathin specimen extraction at different locations within the ORL depth aimed at better identifying the gradient of properties within the ORL. This micromechanical approach was applied to a commercially pure titanium (CP-Ti grade 2) and to a structural titanium alloy (Ti6242s). Both strengthening and loss of mechanical properties (yield strength and ductility) were observed depending on the material and oxygen ingress. While CP-Ti demonstrated an increase in mechanical strength up to ORL representing 80 pct of the gage section, Ti6242s experienced a loss of mechanical resistance even for the shortest exposure times (the ORL representing 10 pct of the gage section). Embrittlement ; Oxygen ; Materials science ; Titanium ; Metallurgy ; Competition (biology) ; Chemistry Titanium Alloys Microstructure and Properties ; Nuclear Materials and Properties ; Metal and Thin Film Mechanics
Authors: Khalida F. Al‐Azawi | Butheina A. Hasoon | Raid A. Ismail | Khetam Habeeb Rasool | Majid S. Jabir | Suaad S. Shaker | Kareem H. Jawad | Ahmed Mutanabbi Abdula | Suresh Ghotekar | Ayman A. Swelum
Source: Scientific Reports (article, 2025-04-29)
Field: Chemistry — Organic Chemistry

Pharmaceutical properties of novel 3-((diisopropylamino)methyl)-5-(4-((4-(dimethylamino) benzylidene) imino) phenyl)-1,3,4-oxadiazole-2(3 H)-thione The synthesis of novel chemical compounds is crucial for developing new pharmaceuticals and antimicrobial agents. The Mannich reaction, involving Maunch bases known as carrier beta-amino-ketone molecules, is significant for producing nitrogen-containing compounds. This study investigates a new compound for its potential biological activities, particularly its antibacterial and anticancer properties. A new chemical compound, (3-((diisopropylamino)methyl)-5-(4-((4-(dimethylamino)benzylidene)imino)phenyl)-1,3,4-oxadiazole-2(3 H)-thione) (DMDBIPOT), was synthesized through the Mannich reaction, where 1,3,4-oxadiazole-2-thiol derivatives reacted with various secondary amines and formaldehyde. The compound was characterized using FTIR, 1 H NMR, and <sup>13</sup>C NMR spectroscopy. Its antibacterial activity was tested against Klebsiella pneumoniae isolates, and its antioxidant properties were evaluated using the DPPH assay. Additionally, the anticancer activity was assessed using the MTT assay on the PC-3 prostate cancer cell line and in silico study. The synthesized compound exhibited strong antibacterial activity against K. pneumoniae, significantly outperforming Amikacin (P ≤ 0.05). It effectively prevented biofilm formation on urinary catheters, confirmed by atomic force microscopy (AFM). The findings indicate that DMDBIPOT effectively inhibits microbial biofilm growth, suggesting its potential as a preservative for Foley catheters. The DPPH assay demonstrated that higher concentrations of the compound resulted in greater free radical scavenging activity. Furthermore, the MTT assay showed significant cytotoxic effects against PC-3 cells, indicating that the compound stimulates programmed cell death. The docking study confirmed the interaction of DMDBIPOT with the target binding pocket, validating its efficacy as a therapeutic agent. The findings suggest that the novel chemical compound possesses potent antibacterial properties and exhibits significant anticancer activity by interacting with DNA and inducing apoptosis in cancer cells. These results highlight the potential clinical applications of the compound in treating infections and cancer. This study presents a novel chemical compound synthesized through the Mannich reaction, demonstrating promising antibacterial and anticancer activities. The compound's ability to inhibit biofilm formation and induce cytotoxic effects suggest that it as a candidate for future therapeutic development. Oxadiazole ; Chemistry ; Combinatorial chemistry ; Medicinal chemistry ; Stereochemistry ; Organic chemistry Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis of heterocyclic compounds