jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhuan Wang | Qilin Li | Bart Van der Bruggen | Zhen Jiang | David M. Cahill | Jingliang Li | Shuaifei Zhao
Source: Advanced Functional Materials (article, 2025-07-23)
Field: Materials Science — Materials Chemistry

Photoresponsive Gas‐Permeable Membranes: Fundamentals, Innovations, and Prospects Abstract Gas‐permeable membranes are vital in various applications, such as carbon capture, hydrogen purification, and air separation, due to their advantages, including low energy consumption, scalability, and environmental sustainability. However, traditional gas‐permeable membranes exhibit fixed permeation properties and thus lack adaptability under dynamic operating conditions. Recently, stimuli‐responsive membranes have emerged as promising alternatives capable of adjusting their permeability and selectivity in real time under external triggers. Among various stimuli‐responsive membranes, photoresponsive membranes stand out due to their unique advantages, including remote and non‐contact activation, precise spatial and temporal control, and switchable capabilities. These attributes make photoresponsive membranes highly attractive for tunable, energy‐efficient gas separation applications. As an emerging research area, photoresponsive gas‐permeable membranes have yet to be systematically studied in terms of their design strategies, light‐induced gas transport mechanisms, and potential applications. To address this gap, this review provides a comprehensive analysis of these key aspects, offering a structured classification of photoresponsive membrane architectures, an in‐depth discussion of their functional characteristics, and a detailed examination of the transport mechanisms governed by light stimuli. This review aims to inspire broader research interest and accelerate the development of intelligent, stimuli‐responsive membrane technologies for sustainable and adaptable gas separation systems. Materials science ; Membrane ; Nanotechnology ; Engineering physics ; Engineering ; Chemistry Covalent Organic Framework Applications ; Membrane Separation and Gas Transport ; Advanced Photocatalysis Techniques
Authors: Qianjun He | Jinhui Xiong | Huanbo Wang | Linkun Xie | Xijuan Chai | Lianpeng Zhang | Siqun Wang | Guanben Du | Kaimeng Xu
Source: Molecules (article, 2025-05-16)
Field: Materials Science — Biomaterials

A Comparative Study on Absorption of Gaseous Formaldehyde by Electrospun Biomass Carbon Nanofiber Membranes Modified by Plasma Activation and Chemical Treatment To comparatively study the effects of cold plasma activation and chemical treatment on the adsorption capacities of biomass carbon nanofiber membranes (BCNMs), microcrystalline cellulose (MCC) and chitosan (CS) were used to fabricate porous BCNMs by electrospinning and carbonization. Two modification methods, including oxygen (O<sub>2</sub>) plasma activation and chemical treatment using nitric acid (HNO<sub>3</sub>), sulfuric acid (H<sub>2</sub>SO<sub>4</sub>), hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), and urea, were further employed to enhance their adsorption performance. Various carbonyl group (C=O), ether bond (C-O), carboxyl group (O-C=O) and pyridinic nitrogen (N), pyrrolic N, and quaternary N functional groups were successfully introduced onto the surface of the BCNMs by the two methods. The BCNM-O<sub>2</sub> showed optimal formaldehyde absorption capacity (120.67 mg g<sup>-1</sup>), corresponding to its highest contents of N, O-containing functional groups, and intact network structure. However, chemical treatment in strong acid or oxidative solutions destructed the microporous structures and changed the size uniformity of fibers in the BCNMs, resulting in a decline in formaldehyde adsorption capacity. A synergistically physical-chemical adsorption took place during formaldehyde adsorption by the modified biomass nanofiber membranes, due to the coexistence of suitable functional groups and porous structures in the membranes. Formaldehyde ; Membrane ; Absorption (acoustics) ; Nanofiber ; Chemical engineering ; Electrospinning ; Plasma ; Biomass (ecology) ; Chemistry ; Carbon nanofiber ; Materials science ; Carbon nanotube ; Nanotechnology ; Organic chemistry ; Polymer ; Composite material ; Biochemistry Electrospun Nanofibers in Biomedical Applications ; Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors
Authors: Ahmed Hamdy | Hassan Nageh | Saad S. M. Hassan | Mohamed A. Mekewi | Atef S. Darwish
Source: Scientific Reports (article, 2025-02-08)
Field: Chemistry — Organic Chemistry

Carboxymethyl cellulose assisted reforming of poly acrylic acid co methyl methacrylate composite for wastewater treatment and effective hosting of antimicrobial silver Herein, novel polymer composite is fabricated by hybridizing poly (acrylic acid-co-methyl methacrylate) filaments with carboxymethyl cellulose, which efficiently reorients and strictly ties the fibrous chains to form polymeric units of plate-like morphology. This innovative hybrid polymer composite is analyzed using XRD, FT-IR, swelling and contact angle studies, DLS, AFM, and SEM. Removal efficiency of such polymer composite is scrutinized in colored wastewater treatment. Langmuir and pseudo-first-order kinetic models best describe safranine dye removal from wastewater, adopting exothermic adsorption progression with elevated capacity (~ 59.47 mg/g) and accelerated rate (~ 1.06 h<sup>- 1</sup>). Such polymer composite exhibits persistent removal efficiency of ~ 90% within 10 min for five consecutive cycles. Hybrid polymer composite is good candidate platform for hosting Ag particles to heighten their antimicrobial activity against Escherichia coli and Staphylococcus aureus, far exceeding 75% reduction. Future studies on applicability of oxygen-rich polymer composites in wastewater treatment and disinfection are optimistic and extremely competent. Carboxymethyl cellulose ; Acrylic acid ; Methyl methacrylate ; Composite number ; Cellulose ; Methacrylate ; Antimicrobial ; Wastewater ; Chemistry ; Polymer chemistry ; Polymer ; Nuclear chemistry ; Materials science ; Composite material ; Organic chemistry ; Waste management ; Monomer Nanomaterials for catalytic reactions ; Microplastics and Plastic Pollution ; biodegradable polymer synthesis and properties
Authors: Grazia Giuseppina Politano
Source: Photonics (article, 2025-01-29)
Field: Materials Science — Materials Chemistry

Localized Effects in Graphene Oxide Systems: A Pathway to Hyperbolic Metamaterials Graphene oxide (GO) has emerged as a carbon-based nanomaterial providing a different pathway to graphene. One of its most notable features is the ability to partially reduce it, resulting in graphene-like sheets through the elimination of oxygen-including functional groups. In this paper, the effect of localized interactions in an Ag/GO/Au multilayer system was studied to explore its potential for photonic applications. GO was dip-coated onto magnetron-sputtered silver, followed by the deposition of a thin gold film to form an Ag/GO/Au structure. Micro-Raman Spectroscopy, SEM and Variable Angle Ellipsometry (VASE) measurements were performed on the Ag/GO/Au structure. An interesting behavior of the GO deposited on magnetron-sputtered silver with the formation of Ag nanostructures on top of the GO layer is reported. In addition to typical GO bands, Micro-Raman analysis reveals peaks such as the 1478 cm−1 band, indicating a transition from sp3 to sp2 hybridization, confirming the partial reduction of GO. Additionally, calculations based on effective medium theory (EMT) highlight the potential of Ag/GO structures in hyperbolic metamaterials for photonics. The medium exhibits dielectric behavior up to 323 nm, transitions to type I HMM between 323 and 400 nm and undergoes an Epsilon Near Zero and Pole (ENZP) transition at 400 nm, followed by type II HMM behavior. Graphene ; Metamaterial ; Oxide ; Materials science ; Condensed matter physics ; Optoelectronics ; Optics ; Physics ; Nanotechnology Graphene research and applications ; Graphene and Nanomaterials Applications ; Metamaterials and Metasurfaces Applications
Authors: Ali Farzaneh | Mohammadreza Babazadeh | Ali Ehsani | Hossein Ganjidoust | Mojtaba Hadi
Source: Scientific Reports (article, 2025-09-24)
Field: Materials Science — Biomaterials

Batch experimental studies on Acid Blue 25 dye removal by synthesized chitosan containing sodium alginate and halloysite nanotubes An eco-friendly composite material was developed as a cost-effective and efficient adsorbent for removing Acid Blue 25 (AB25) dye from aqueous solutions. Despite extensive research on dye adsorbents, there remains a need for sustainable and high-performance materials. While chitosan and sodium alginate have shown promise individually, their composite with halloysite nanotubes (HNTs) is less explored. In this study, chitosan/sodium alginate (CSA) and chitosan/sodium alginate/halloysite nanotube (CSAH) composites were synthesized and evaluated for AB25 removal under varying conditions, including pH (3-11), contact time (2-120 min), initial dye concentrations (20-600 mg/L), and HNT content (5-30%). Characterization of the adsorbents was carried out using BET, zeta potential, FESEM, FTIR, EDX, and XRD analyses. CSAH adsorbents were prepared by incorporating different HNT ratios (5-30%) into CSA. At pH 3, CSA achieved 80% dye removal after 70 min, while CSAH with 10% HNT content (CSAH10) showed the best performance, removing 94% of dye within 30 min. Adsorption isotherms (Langmuir, Freundlich, Temkin, Redlich-Peterson, Toth) revealed that the Toth model best described the equilibrium behaviour. According to the Langmuir model, the maximum adsorption capacity of CSAH10 was 351 mg/g. Kinetic studies, including pseudo-first-order, pseudo-second-order, intraparticle diffusion, and Elovich models, indicated that the adsorption process followed the pseudo-second-order model for both CSA and CSAH adsorbents. Regeneration tests showed a gradual decline in efficiency, with CSAH10 maintaining 58% removal after five cycles, down from 91% initially. Overall, the CSAH10 composite exhibited strong potential for practical AB25 dye removal, combining high efficiency, low cost, and relatively good reusability. Halloysite ; Adsorption ; Chitosan ; Composite number ; Aqueous solution ; Sodium alginate Clay minerals and soil interactions ; Iron oxide chemistry and applications ; Adsorption and biosorption for pollutant removal
Authors: Dominika Rapacz | Katarzyna Smolińska-Kempisty | Joanna Wolska
Source: Scientific Reports (article, 2025-01-24)
Field: Chemistry — Analytical Chemistry

Preparation and characterization of SPE column with smart green molecularly imprinted polymers materials for selective determination of S-metolachlor herbicide The presence of traces of herbicides in ground and surface waters can have adverse impacts on humans and the environment. Therefore, developing a highly selective and reusable adsorbent for monitoring water quality has become important. This article describes smart green molecularly imprinted polymers (MIPs) as selective sorbents of S-metolachlor herbicide for solid phase extraction (SPE). Combining the MIP-SPE column with HPLC chromatography provided a quick and accurate method for determining the real concentration of S-metolachlor in water samples. The sorption capacity of the MIP-SPE column was almost twice that of the non-imprinted polymer column for SPE extraction. The bed can be regenerated up to three times before it loses its original sorption properties. A method has been developed whereby 6 ml of water can achieve an average recovery rate of 98% for sorbent. During the selectivity study from multicomponent solution, the calculate imprinting factor for MIPs was calculated to be 10, while MIPs sorb S-metolachlor 10 times better than atrazine, 12 times better than fenoxaprop-P-ethyl and 33 times better than glyphosate. The pseudo-second-order kinetic model was in good agreement with the experimental values obtained. Metolachlor ; Molecularly imprinted polymer ; Sorbent ; Solid phase extraction ; Sorption ; Adsorption ; Chromatography ; Extraction (chemistry) ; Molecular imprinting ; Chemistry ; Polymer ; Selectivity ; Atrazine ; Pesticide ; Organic chemistry ; Catalysis Analytical chemistry methods development ; Toxic Organic Pollutants Impact ; Pharmaceutical and Antibiotic Environmental Impacts
Authors: Jay Johal | Graeme M. Day
Source: ChemRxiv (preprint, 2025-04-03)
Field: Materials Science — Materials Chemistry

Exploring organic chemical space for materials discovery using crystal structure prediction-informed evolutionary optimisation Organic molecular crystals offer a broad spectrum of potential applications. The vast number of possible molecules is both an opportunity and a challenge, because of the prohibitive expense of exhaustively searching chemical space to find novel molecules with promising solid-state properties. Computational methods can be applied to direct experimental discovery programs using high-throughput or guided searches of chemical space. However, to date, such approaches have largely focused on molecular properties, ignoring the often significant effects of the arrangement of molecules in their crystal structure on the molecule's effectiveness for the chosen application. Here, we present CSP-EA, an evolutionary algorithm for searching chemical space that incorporates crystal structure prediction (CSP) into the evaluation of candidate molecules, allowing their fitness to be evaluated based on the predicted materials' properties. As a demonstration, CSP-EA is applied here to a search space of organic molecular semiconductors, demonstrating that the inclusion of CSP in the fitness assessment outperforms searches based on molecular properties alone in identifying molecules with high electron mobilities. Chemical space ; Space (punctuation) ; Crystal (programming language) ; Data science ; Computer science ; Artificial intelligence ; Biochemical engineering ; Data mining ; Drug discovery ; Biology ; Engineering ; Bioinformatics Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Various Chemistry Research Topics
Authors: Paulo Zúñiga | Manuel Aravena | Silvia Ponce | Jacobo Hernández‐Montelongo
Source: Pharmaceutics (article, 2025-01-16)
Field: Materials Science — Biomaterials

A Finite Element Method for Modeling Diffusion and Drug Release from Nanocellulose/Nanoporous Silicon Composites <b>Background and Objective</b>: A previous study investigated the in vitro release of methylene blue (MB), a widely used cationic dye in biomedical applications, from nanocellulose/nanoporous silicon (NC/nPSi) composites under conditions simulating body fluids. The results showed that MB release rates varied significantly with the nPSi concentration in the composite, highlighting its potential for controlled drug delivery. To further analyze the relationship between diffusion dynamics and the MB concentration, this study developed a finite element (FE) method to solve Fick's equations governing the drug delivery system. <b>Methods</b>: Release profiles of MB from NC/nPSi composites with varying nPSi concentrations (0%, 0.1%, 0.5%, and 1.0%) were experimentally measured in triplicate using phosphate-buffered saline (PBS) at 37 °C, pH 7.4, and 100 rpm. Mathematical models incorporating linear and quadratic dependencies of the diffusion coefficient on the MB concentration were developed and tested using the FE method. Model parameters were refined by minimizing the error between simulated and experimental MB release profiles. <b>Results</b>: The proposed FE method closely matched experimental data, validating its accuracy and robustness in simulating the diffusion and release processes. <b>Conclusions</b>: This study emphasizes the significant impact of the nPSi concentration on enhancing release control and highlights the importance of material composition in designing drug delivery systems. The findings suggest that the FE method can be effectively applied to model other complex systems, paving the way for advancements in precision drug delivery and broader biomedical applications. Materials science ; Drug delivery ; Diffusion ; Composite material ; Arthrofibrosis ; Nanotechnology ; Thermodynamics ; Surgery Advanced Cellulose Research Studies ; Anodic Oxide Films and Nanostructures ; Electrospun Nanofibers in Biomedical Applications
Authors: Chisom Theresa Umeh | John Kanayochukwu Nduka | Kovo G. Akpomie | Amalachukwu Ifeyinwa | Nkeiru Magdalene Akanbi
Source: RSC Advances (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Remediation of malachite green-laden wastewater by plant-loaded metal oxide nanocomposites The aquatic environment is being endangered by contamination by organic dyes, which can lead to severe environmental pollution. This study presents the formation of nickel- and copper oxide-loaded <i>Bryophyllum pinnatum</i> (BP) nanocomposites (NiONPs-BP and CuONPs-BP) by a thermo-chemical precipitation process for sequestration of malachite green (MG) dye from a synthetically prepared aqueous solution. The synthesized nanomaterials were examined using FTIR, SEM, XRD, TGA and BET characterization techniques. The findings from the characterization techniques showed the distribution and impregnation of NiO and CuO on BP. The maximum adsorption capacities of NiONPs-BP and CuONPs-BP were 28.77 mg g<sup>-1</sup> and 13.66 mg g<sup>-1</sup>, respectively. Isotherm and kinetic studies of catalytic MG dye removal are well described by the Freundlich and pseudo-second order models. The NiONPs-BP and CuONPs-BP nanocomposites exhibited higher regression values along with low error compared to BP, and proved better adsorbing materials. The spontaneous nature of MG adsorption was demonstrated by thermodynamic studies. For NiONPs-BP, Δ<i>S</i>° > 0 indicated increased disorder at the solid/liquid interface, while Δ<i>H</i>° > 0 confirmed the endothermic nature of adsorption. In contrast, adsorption on CuONPs-BP was also accompanied by increased disorder (Δ<i>S</i>° > 0) but proceeded through an exothermic process (Δ<i>H</i>° < 0). High removal efficiency was recorded after five successive reuse cycles, indicating remarkable stability and reusability of the nanocomposites. Therefore, NiONPs-BP and CuONPs-BP composites were suggested to be efficient adsorbing materials for remediating wastewater polluted with MG dye. Malachite green ; Endothermic process ; Nanocomposite ; Adsorption ; Freundlich equation ; Environmental remediation ; Wastewater ; Oxide ; Exothermic reaction Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Environmental remediation with nanomaterials
Authors: Jiadong Tang | Linhan Xie | Shiwen Wang | Yiqi Jing | Bing Liu | Yifan Gu | Yuhong Jin | Qianqian Zhang
Source: Carbon Neutralization (article, 2025-10-06)
Field: Materials Science — Materials Chemistry

2D Clay Nanofluidic Pairs With Opposite Ion Selectivity for Constructing Salinity‐Gradient Cells ABSTRACT The membrane‐based reverse electrodialysis (RED) is considered as the most promising technique for salinity‐gradient energy harvesting. However, the high cost and difficult processing of traditional membrane materials usually limit their development in the field. Herein, a salinity‐gradient cell is constructed based on a group of anion‐ and cation‐selective 2D clay nanofluidic membranes. The opposite surface charge and confined 2D nanofluidic channels contribute to the opposite ion selectivity of the two membranes. For constructing the salinity‐gradient cell, a superposed electrochemical potential difference is created by complementing the diffusion of oppositely charged ions, and an output power density of up to 5.48 W m −2 can be obtained at a salinity gradient of 0.5/0.01 M NaCl without the contribution of electrode material redox reaction, superior to other existing natural nanofluidic RED systems to our best knowledge. Furthermore, the output voltage of the cell can reach 1.8 V by connecting 15 tandem LM‐RED stacks under artificial seawater and river water, which can power the electronic devices. According to detailed life cycle assessments, the fabrication of 2D clay nanofluidic pairs achieves a significant reduction in resource consumption by 90%, a decrease in greenhouse gas emissions by 90%, and a notable reduction in production costs by 67% compared with the classical 2D nanofluidics, promising good sustainability and paves the way for clay‐based membranes in RED devices for the salinity‐gradient energy harvesting. Reversed electrodialysis ; Membrane ; Osmotic power ; Electrodialysis ; Voltage ; Ion ; Electrode ; Power density ; Fabrication ; Diffusion Layered Double Hydroxides Synthesis and Applications ; Dielectric materials and actuators ; Ferroelectric and Piezoelectric Materials
Authors: Abdullah Noman | Kishan Nandi Shoudho | Zayed Bin Zakir Shawon | Mohammad Khurshed Alam | Shoeb Ahmed | Iftheker Ahmed Khan
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Synergistic effects of hydroxylation and structural defects in hexagonal boron nitride for dye removal from wastewater Hexagonal boron nitride (h-BN) was structurally modified using a simple and efficient chemical weathering method and assessed for its ability to remove anionic Congo Red (CR) and cationic Neutral Red (NR) dyes from wastewater. Batch sorption experiments explored variables including solution pH (2-12), modified h-BN dosage (0.25-1.0 g L<sup>-1</sup>), contact time (10-420 min), and dye concentration (10-500 mg L<sup>-1</sup>). Detailed characterization revealed the integration of hydroxyl groups, distinctive rough and cracked surfaces, increased interlayer spacing and crystal size, monodispersed stable solution, and enhanced solubility of modified h-BN. Optimal dye removal occurred at 0.5 g per L dosage, with CR achieving 99.23 ± 0.06% efficiency at pH 2 (60-90 min) and NR 85.77 ± 1.51% at pH 11 (90-120 min) in deionized water. Electrostatic interactions between the modified h-BN and dye molecules drove pH-dependent adsorption, following a pseudo-second-order kinetics model, indicative of chemisorption. Langmuir isotherms confirmed monolayer adsorption on homogeneous surfaces. For similar parameters, in a mixed dye system (<i>i.e.</i>, CR : NR = 1 : 1), the removal efficiency favored at pH = 2 over pH = 11 (<i>i.e.</i>, 80.54 ± 1.16% over 60.83 ± 5.18%)-was less than mono-dye systems-which indicates that more CR dye could be removed with the exact adsorbent dosage. A limited study was performed with clarifier inlet textile wastewater, which showed a decrease in removal efficiency compared to deionized conditions. A steady decrease in removal efficiency was observed while performing adsorption-desorption cycles. The results demonstrate the potential of modified h-BN as an adsorbent in dye removal from industrial wastewater. Wastewater ; Hydroxylation ; Adsorption ; Hexagonal boron nitride ; Boron nitride ; Boron ; Hexagonal crystal system ; Chemistry ; Chemical engineering ; Materials science ; Inorganic chemistry ; Nanotechnology ; Organic chemistry ; Environmental science ; Environmental engineering ; Crystallography Graphene research and applications ; Advanced Photocatalysis Techniques ; Graphene and Nanomaterials Applications