jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Cyprian Y. Abasi | Tamarabunugha B. Enai | Oguarabau Benson
Source: Asian Journal of Chemical Sciences (article, 2025-03-12)
Field: Chemistry — Spectroscopy

Classical and Fractal-like Sorption Kinetic Studies of Methylene Blue on Unmodified Plantain Peduncle Biomass and Activated Carbon The kinetic behaviour of methylene blue (MB) dye solution in relation to unmodified biomass and activated carbon from plantain (Musa paradisiaca) peduncle was studied, considering both time-dependent and time-independent aspects. MB dye solutions were exposed to unmodified biomass and activated carbon from plantain peduncle at intervals ranging from 5 to 210 minutes, at fixed concentrations of 15 mg/L and 30 mg/L. Equilibrium times were recorded at 160 and 200 minutes. Classical and fractal-like pseudo-order kinetic models were applied to the adsorption data to determine the rate-controlling order and the surface complexity of MB molecule adsorption. The Hurst fractal exponent (h) was calculated to establish the fractal-like surface pattern of adsorption sites. For 15UM, the Hurst fractal exponent h was negative in both FL-PFO (-0.638) and FL-PSO (-1.2649). For 30UM, the exponents were 0.3031 and 0.2971 for FL-PFO and FL-PSO, respectively. For 15AC, the exponents were 0.7434 and 0.745 for FL-PFO and FL-PSO, respectively, while for 30AC, the exponents were 0.7245 and 0.7209 for FL-PFO and FL-PSO, respectively. The coefficient of determination (R²) and correlation coefficient (r) of the fractal fittings were both greater than 0.96, outperforming conventional pseudo-order kinetics. Time-dependent behaviour was observed in the samples with h &gt; 0.5 (15AC and 30AC), suggesting a persistent and stable adsorption process. Time-independent behaviour was observed in samples with 0 &lt; h &lt; 0.5 (30UM) and h &lt; 0 (15UM). The Weber-Morris diffusion model was also used to assess intraparticle diffusion, revealing significant but not prevalent intraparticle diffusion. The presence of prevalent fractal-like kinetics indicates surface complexity in both plantain peduncle samples. Methylene blue ; Sorption ; Peduncle (anatomy) ; Biomass (ecology) ; Fractal ; Kinetic energy ; Activated carbon ; Chemistry ; Carbon fibers ; Chemical engineering ; Materials science ; Botany ; Biology ; Mathematics ; Biochemistry ; Organic chemistry ; Ecology ; Composite material ; Engineering ; Adsorption ; Physics Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Water Quality Monitoring and Analysis
Authors: Frank Fan | Shengqiu Liu | Yuting Yan | Peng Zhang | Kui Che
Source: Frontiers in Molecular Biosciences (review, 2025-01-08)
Field: Chemistry — Organic Chemistry

Artificial molecular motors in biological applications Molecular motors are the cornerstone for the maintenance of living systems and mediate almost all fundamental processes involved in cellular trafficking. The intricate mechanisms underlying natural molecular motors have been elucidated in detail, inspiring researchers in various fields to construct artificial systems with multi-domain applications. This review summarises the characteristics of molecular motors, biomimetic approaches for their design and operation, and recent biological applications. Molecular motor ; Biochemical engineering ; Cornerstone ; Domain (mathematical analysis) ; Construct (python library) ; Nanotechnology ; Computer science ; Living systems ; Engineering ; Artificial intelligence ; Materials science Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research
Authors: Shahin Karamifar | Zahra Behrouz | Reza Ahdenov | Sahar Alizadeh
Source: Scientific Reports (article, 2025-10-24)
Field: Chemistry — Organic Chemistry

A novel electrode design using Cu-TCPP MOF-modified MWCNT for efficient electro-organic cross coupling synthesis of biphenyl derivatives in a Urea/Chol-Cl DES system as a green and sustainable electrolyte The environmental and economic challenges of cross-coupling reactions arise mainly from reliance on expensive transition metals, toxic solvents, and harsh reaction conditions. These factors lead to high energy use, waste generation, and ecological harm, while the scarcity and cost of metals limit scalability. Organic solvents further increase carbon emissions and toxicity. Overcoming these issues is crucial for developing more sustainable and cost-effective cross-coupling methods. This study introduces a novel electrode design that employs a Cu-TCPP metal-organic framework (MOF)-modified oxidized Multi-Walled Carbon Nanotubes (o-MWCNT) for the efficient electro-organic synthesis of biphenyl derivatives 4(a-n) from chlorobenzenes 1(a-j) and triphenyl bismuthines 2(a-j). Conducted within a green urea/choline chloride (Urea/Chol-Cl) 3(a) DES system, the synthesis achieved remarkable yields of 90% to 97% in just 1 h at ambient temperature under a constant current of 10 mA. The characterization of the o-MWCNT-Cu-TCPP catalyst was performed using a various of techniques, including FT-IR, SEM, EDS, EDX mapping, XPS, cyclic voltammetry (CV), TGA, and BET analysis. The resulting biphenyl derivatives 4(a-n) were confirmed through melting point determination, 1HNMR, and CHN analysis. This work underscores the potential of Cu-TCPP MOF-modified electrodes as sustainable and efficient catalysts for organic synthesis, paving the way for further exploration of their applications in green chemistry. Biphenyl ; Catalysis ; Carbon nanotube ; Cyclic voltammetry ; Electrolyte ; Electrode ; Electrochemistry ; Carbon fibers Sulfur-Based Synthesis Techniques ; Radical Photochemical Reactions ; Conducting polymers and applications
Authors: Nasir Shezad | Pawan Kumar | Alok Patel | Λεωνίδας Μάτσακας | Farid Akhtar
Source: International Journal of Energy Research (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Metal‐Organic Frameworks Coated Cellulose Nanofibers for Localized Carbon Dioxide Capture The consequences of global warming due to increasing levels of greenhouse gas emissions stress the need to develop carbon capture technologies expeditiously. Metal‐organic frameworks (MOFs) have been proven to be effective carbon dioxide (CO 2 ) sorbents, but challenges lie in their integration into practical applications owing to the hurdles in processing the powder MOFs into usable structures. Herein, the Cu‐MOFs nanocrystals were in situ grown over different cellulose substrates, including bacterial cellulose nanofibers lamellas (BCNFLs) and wood‐derived cellulose nanofibers (WCNFs). The successfully prepared sorbents were evaluated for CO 2 capture applications, along with their kinetic and diffusion dynamics. The loading of MOFs nanoparticles was confirmed via FESEM, showing the interconnected network of cellulose nanofibers (CNFs) and interwoven MOFs particles. The surface area and porosity of the samples, analyzed by the N 2 sorption method, were proportional to the MOFs in the sorbents. The MOFs/BCNFLs and MOFs/WCNFs composites demonstrated CO 2 uptake of approximately 1 and 1.19 mmol/g, respectively, and maintained stability over numerous cycles, highlighting the robustness of the developed structures. The CO 2 sorption isotherms were explained by the Langmuir–Freundlich model, accounting for surface heterogeneity, and exhibited a selectivity () of 49 with a heat of adsorption of 27 kJ/mol. The MOFs/BCNFLs exhibited 2.2 times higher sorption kinetics and a 25% greater diffusion coefficient than WCNFs, attributed to the thin MOFs layer that minimized mass transport limitations. Our findings underscore the significance of structural optimization and the potential of cellulose nanofiber‐coated MOFs for practical carbon capture applications. Cellulose ; Carbon dioxide ; Nanofiber ; Carbon nanofiber ; Chemical engineering ; Metal-organic framework ; Materials science ; Metal ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Carbon nanotube ; Organic chemistry ; Adsorption ; Metallurgy ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Aerogels and thermal insulation ; Membrane Separation and Gas Transport
Authors: Chunchun Li | Ziwei Ye | Shan Xu | Nathan Skillen | Yingrui Zhang | Zehong Xu | Colby Chang | Jinlong Zhang | Peter K. J. Robertson | Steven E. J. Bell | Yikai Xu
Source: ACS Applied Materials & Interfaces (article, 2025-08-14)
Field: Materials Science — Materials Chemistry

Disentangling the Effect of Key Parameters in Hydrogen Evolution for Rational Design of Metal–Semiconductor Photocatalysts via Self-Assembly Fabrication of high-performance metal-semiconductor photocatalysts is a challenging problem in nanoengineering since it requires development of methods, which create strong metal-semiconductor contacts and accessible catalytic surfaces while simultaneously allowing control of the physical properties of the metal nanoparticle cocatalysts. Here, we introduce a convenient self-assembly approach for preparing highly active metal-TiO<sub>2</sub> photocatalysts, which meets all these requirements. More specifically, preformed Au/Pt and TiO<sub>2</sub> nanoparticles were used to generate Pickering emulsions, which were converted in situ into polymer microbeads covered in a mixed surface layer of tightly packed metal and TiO<sub>2</sub> nanoparticles with photocatalytic properties. A key benefit of our synthetic approach is that it allowed the physical parameters of the photocatalyst to be controlled independently. This made the materials an ideal model system to investigate structure-property relationships in photocatalysis, which allowed us to rationalize the effect of metal size, loading, surface chemistry, and composition on hydrogen evolution efficiency. Understanding the interplay of these factors allowed the creation of photocatalysts to move away from trial-and-error and enabled us to rationally design and prepare composite photocatalysts with exceptional activity. More broadly, our self-assembly approach can be readily extended to the creation of other metal-semiconductor systems, which will pave the way for both fundamental and applied photocatalytic studies. Materials science ; Semiconductor ; Rational design ; Key (lock) ; Nanotechnology ; Metal ; Chemical physics ; Chemical engineering ; Optoelectronics ; Metallurgy ; Computer science Copper-based nanomaterials and applications ; Gas Sensing Nanomaterials and Sensors ; Advanced Photocatalysis Techniques
Authors: John Peter Coats | Anamarija Nikoletić | Lukas Heuberger | Voichiţa Mihali | Cora‐Ann Schoenenberger | Ionel Adrian Dinu | Cornelia G. Palivan
Source: Macromolecular Rapid Communications (article, 2025-07-28)
Field: Chemistry — Organic Chemistry

Engineering pH‐Responsive Nanocarriers via an Optimized Synthesis of PMOXA‐ <i>b</i> ‐PDPA Amphiphilic Diblock Copolymers pH-responsive nanocarriers have gain significant attention due to their ability to provide controlled cargo delivery with high precision in response to specific stimuli. However, the polymers used in the self-assembly of these nanocarriers must be carefully designed to meet the requirements of bio-relevant delivery. Here, we present an optimized synthesis of poly(2-methyl-2-oxazoline)-block-poly(2-(diisopropylamino)ethyl methacrylate) (PMOXA-b-PDPA) block copolymers tailored for obtaining carriers with vesicle architecture and thin membranes for an improved release behavior. By systematically modifying the synthesis conditions, we obtain a small library of copolymers, focusing on low molecular weight (MW) variants to reduce the membrane thickness of the resulting vesicles. We investigate the impact of membrane thickness on the kinetics and efficiency of cargo release in response to a pH shift from neutral to slightly acidic conditions that are particularly relevant in pathological environments like tumors. Model cargos of varying MWs, including doxorubicin hydrochloride, exhibited differential release profiles under these pH conditions. Together with no cytotoxicity, the thin membrane represents key aspects that support further development of such carriers for therapeutic applications. Nanocarriers ; Copolymer ; Doxorubicin Hydrochloride ; Amphiphile ; Membrane ; Vesicle ; Drug delivery ; Materials science ; Methacrylate ; Polymer ; Drug carrier ; Nanotechnology ; Combinatorial chemistry ; Biophysics ; Chemistry ; Chemical engineering ; Doxorubicin ; Organic chemistry ; Biochemistry Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Nanoparticle-Based Drug Delivery
Authors: Yejin Kim | Juhyeon Kim | Dongmin Yu | Tae‐Ho Kim | Jonghyun Park | J.‐D. LEE | Sohyeon Yu | Dongseong Seo | Byoung-Soo Kim | Simseok A. Yuk | Daekyung Sung | Hyungjun Kim
Source: Cosmetics (article, 2025-07-01)
Field: Materials Science — Surfaces, Coatings and Films

Engineering a Polyacrylamide/Polydopamine Adhesive Hydrogel Patch for Sustained Transdermal Vitamin E Delivery A transdermal drug delivery system based on hydrogel patches was explored, leveraging their sustained release properties and biocompatibility. Despite these advantages, conventional hydrogels often lack proper adhesion to the skin, limiting their practical application. To address this issue, we designed a skin-adhesive hydrogel using a polyacrylamide (PAM)/polydopamine (PDA) dual-network structure. The matrix combines the mechanical toughness of PAM with the strong adhesive properties of PDA, derived from mussel foot proteins, enabling firm tissue attachment and robust performance under physiological conditions. To demonstrate its applicability, the hydrogel was integrated with poly(lactic-co-glycolic acid) (PLGA) nanoparticles encapsulating the hydrophobic antioxidant vitamin E as a model compound. The resulting PAM/PDA@VitE hydrogel system exhibited improved swelling behavior, high water retention, and prolonged release of α-tocopherol. These results suggest that the PAM/PDA hydrogel platform is a versatile vehicle not only for vitamin E, but also for the transdermal delivery of various cosmetic and therapeutic agents. Transdermal ; Polyacrylamide ; Adhesive ; Transdermal patch ; Chemistry ; Materials science ; Polymer science ; Polymer chemistry ; Composite material ; Medicine ; Pharmacology Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications
Authors: Akhiri Zannat | Adolfo Lopez | Yijie Cheng | Jie Ma | Mitchell Delemeester | Shaoting Lin | K. Jayaraman | Xinyue Liu
Source: Journal of Materials Chemistry B (article, 2025-01-01)
Field: Materials Science — Biomaterials

Mechanical strain-regulated hydrogel biodegradation for biological scaffolds with programmable lifetime Precise control over hydrogel biodegradation kinetics is of importance for drug delivery and tissue engineering. However, existing strategies usually rely on fixed material chemistries and offer limited tunability once implanted. Here, we introduce mechanical strain as a programmable cue to regulate hydrogel degradation <i>in situ</i>. Using peptide-crosslinked tetra-PEG hydrogels and proteinase K as a model system, we developed a real-time stress-monitoring platform to quantitatively study strain-dependent enzymatic degradation. Time-resolved measurements reveal that mechanical strain significantly accelerates degradation by simultaneously enhancing diffusion and reaction rates. For thick hydrogel samples, uniaxial stretching significantly reduces the degradation time by four-fold from 7.6 hours (undeformed) to 1.9 hours (stretched), shifting the process from slow, surface-limited to rapid, volumetric degradation. A multiscale theoretical model that we developed identifies three synergistic effects of mechanical strain: reduced diffusion path due to geometric thinning, increased network mesh size for enhanced enzyme penetration, and elevated chain tension that promotes bond cleavage. These findings establish mechanical loading as a universal tool in biological systems to dynamically modulate hydrogel lifetimes, offering new opportunities for programmable drug release and scaffold-guided tissue remodeling. Biodegradation ; Materials science ; Strain (injury) ; Self-healing hydrogels ; Composite material ; Polymer chemistry ; Chemistry ; Organic chemistry Electrospun Nanofibers in Biomedical Applications ; Hydrogels: synthesis, properties, applications ; 3D Printing in Biomedical Research
Authors: Han Gong | Xiangchi Liu | Baijun Liu | Mingyao Zhang
Source: Journal of Applied Polymer Science (article, 2025-02-20)
Field: Chemistry — Organic Chemistry

Recovery of Silver From Wastewater by Polydopamine Functionalized Polystyrene Mesoporous Microspheres and Its Secondary Catalytic Application in Dye Removal ABSTRACT Heavy metal and dye pollution are significant environmental challenges that seriously threaten human health and ecosystem balance. This study introduces a new method for recovering Ag + from wastewater and uses the recovered silver for secondary catalytic applications in dye degradation. Polydopamine functionalized polystyrene mesoporous microspheres (PPS‐PDA) were prepared using a green mussel chemical method based on monodisperse polystyrene mesoporous microspheres (PPS) with a diameter of approximately 7 μm. According to the results of Brunauer Emmett Teller Analyzer, the average pore size of PPS‐PDA is 17.88 nm, the porosity is 0.53%, and the specific surface area is 54.52 m 2 /g. By observing the scanning electron microscope and energy dispersive spectroscopy, PPS‐PDA has an adsorption effect on Ag + in silver ammonia solution and can adsorb up to 40% of silver ammonia solution. The catalytic process was monitored by UV–visible light. The adsorbed Ag‐supported polydopamine functionalized polystyrene mesoporous microspheres (PPS‐PDA‐Ag) showed strong catalytic activity in the process of methylene blue reduction, and the catalytic behavior was consistent with the pseudo‐second‐order kinetic model. The catalyst maintained an efficiency of 85% in 10 cycles, highlighting its potential in sustainable wastewater treatment. Mesoporous material ; Polystyrene ; Microsphere ; Catalysis ; Materials science ; Chemical engineering ; Wastewater ; Chemistry ; Polymer ; Organic chemistry ; Waste management ; Composite material Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Advanced Nanomaterials in Catalysis
Authors: Sruthi Thulaseedharan Jayasree | Afsal S. Shajahan | Nandakumar Kalarikkal | Brahmananda Chakraborty
Source: Energy Storage (article, 2025-07-22)
Field: Materials Science — Materials Chemistry

Unveiling Calcium‐Decorated Psi‐Graphene as a High‐Capacity Hydrogen Storage Material: A First‐Principles Investigation ABSTRACT Our work investigates the potential of Ca‐decorated Psi‐Graphene for efficient hydrogen storage using first‐principles electronic structure calculations and ab initio molecular dynamics simulations. The system exhibits an exceptional storage capacity of 13.44 wt% by adsorbing up to 82 H 2 molecules in a fully Ca loaded Psi‐Graphene unit cell, significantly exceeding the Department of Energy (DOE) target. The last four hydrogen molecules of each single Ca atom have low binding energies under GGA approximation due to the only presence of Vander Waals interactions. The uniform binding energy of ~0.232 eV (under the GGA approximation) surpasses other Ca‐decorated materials, attributed to H 2 polarization, hybridization of Ca 3d empty orbitals with H 2 σ orbitals, and the non‐symmetric nature of Psi‐Graphene. Additionally, strong Ca‐substrate binding (~1.95 eV/atom) ensures system stability, as confirmed by density of states (DOS), projected density of states (PDOS), and Bader charge analysis. We have also performed Nudged Elastic Band (NEB) analysis to confirm that our system is not prone to metal clustering. The non‐magnetic nature of isolated Ca and Psi‐Graphene maintains a zero magnetic moment throughout the adsorption process. Ab initio molecular dynamics simulations further validate the thermal stability of the system up to 500 K. Using Van't Hoff equation, the desorption temperature falls within the range of 334.16–364.79 K between 5 and 12 bar pressure. These findings establish that Ca‐decorated Psi‐Graphene is a highly promising candidate for hydrogen storage applications. Graphene ; Hydrogen storage ; Materials science ; Nanotechnology ; Calcium ; Composite material ; Metallurgy Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Advanced Battery Materials and Technologies
Authors: Mareike Deuker | Detlef Schulz | Kaloian Koynov | Svenja Morsbach | Holger Frey | Katharina Landfester
Source: Advanced Science (article, 2025-11-19)
Field: Materials Science — Biomaterials

Overcoming PEG Antigenicity: Statistical PEG Isomers Reduce Antibody Binding Poly(ethylene glycol) (PEG) is widely used in bioconjugation and nanomedicine due to its advantageous properties including solubility, biocompatibility, and pharmacokinetic benefits. However, PEG exposure can elicit anti-PEG antibodies (APAs), resulting in accelerated blood clearance and immune responses. To address this, "randomized PEG" (rPEG) is synthesized by incorporating the comonomer glycidyl methyl ether into PEG via anionic ring-opening polymerization. This structural isomer introduces "synthetic point mutations", impeding APA recognition. The interaction between rPEGs and APAs is systematically investigated in buffer solution using microscale thermophoresis and fluorescence correlation spectroscopy. Increasing comonomer content drastically reduced antibody binding, with rPEGs containing 52 mol% comonomer effectively preventing APA interaction. Monte Carlo simulations confirmed a reduction in consecutive ethylene glycol sequences to less than 16 units crucial for APA recognition. These results establish rPEG as a promising PEG alternative, mitigating immune recognition while retaining key properties. This is of key relevance for next-generation stealth polymers with improved biocompatibility for biomedical applications. Comonomer ; PEG ratio ; Ethylene glycol ; Microscale thermophoresis ; Bioconjugation ; Nanomedicine ; PEGylation Nanoparticle-Based Drug Delivery ; Polymer Surface Interaction Studies ; Advanced Biosensing Techniques and Applications
Authors: Suchetha Shetty | Noorullah Baig | Pallavi Badvel | Rupa Bargakshatriya | Sumit Kumar Pramanik | Bassam Alameddine
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

High-capacity iodine adsorption from diverse media using iron-based metal–organic copolymer networks synthesized <i>via</i> a microwave-assisted Buchwald–Hartwig cross-coupling reaction Fe( ii ) clathrochelate-bridged arylamine was made, revealing an outstanding I 2 vapor uptake of 15 g g −1 . TAC1–3 demonstrated notable I 2 adsorption from cyclohexane and aqueous solutions reaching capacities of 1.11 g g −1 and 5.95 g g −1 , respectively. Copolymer ; Iodine ; Microwave ; Adsorption ; Metal ; Coupling reaction ; Combinatorial chemistry ; Materials science ; Polymer chemistry ; Chemical engineering ; Chemistry ; Photochemistry ; Organic chemistry ; Catalysis ; Computer science ; Telecommunications ; Engineering ; Polymer Covalent Organic Framework Applications ; Microwave-Assisted Synthesis and Applications