jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Qing Li | Kai Qu | Zhiyuan Yi | L. P. Zhou | Shuyun Gu | Zhi Xu
Source: AIChE Journal (article, 2026-01-24)
Field: Chemistry — Inorganic Chemistry

Oriented mixed‐matrix metal–organic framework membranes with geometrically engineered rigid lattice for gas separation Abstract Mixed‐matrix metal–organic frameworks (MMMOF) membranes combine the advantages of polymeric materials and metal–organic frameworks (MOFs) to enhance molecular separations. However, achieving optimal separation performance depends on the characteristics of the MOFs and their subsequent impact on channel accessibility. Herein, we incorporated geometrically engineered rigid lattices of Cu 2 (pzdc) 2 (pyz) nanosheets with optimized orientation in 6FDA‐DAM to maximize the exposure of molecular‐sieving pores. These engineered Cu 2 (pzdc) 2 (pyz) frameworks formed a rigid triangular structure exhibiting 35% higher CO 2 /CH 4 adsorption selectivity than the pristine MOFs. Furthermore, the oriented MMMOF membranes demonstrated a 104% increase in CO 2 /CH 4 selectivity compared to pure polymer membranes, while maintaining a high CO 2 permeability of 2061 Barrer, surpassing the 2018 mixed‐gas upper bound. This work demonstrates that synergistic control of framework rigidity and oriented pore alignment is a powerful strategy to overcome the “trade‐off” between permeability and selectivity, providing new inspiration for the design of high‐performance molecular sieving membranes. Membrane ; Selectivity ; Rigidity (electromagnetism) ; Gas separation ; Polymer ; Adsorption ; Permeability (electromagnetism) ; Lattice (music) Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: A. Troia | M. Gallone | V. Vighetto | F. Pellegrino | S. G. Hernandez | V. Cauda | V. Maurino
Source: Communications Chemistry (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

Modulation of sonochemical reactions by cavitation driven thermal degradation of aqueous salts solutions Strategies for controlling or increasing the yield of radical reactions generated by ultrasonic cavitation in aqueous media have been the object of research for many years. Past studies have focused on the role of organic solvents in increasing Reactive Oxygen Species (ROS) formation or have investigated the effect of ultrasound on accelerating the OH radicals generation from Fenton reactive. More recently, piezoelectric micro-nanoparticles have shown a synergistic effect in activating specific reactions and increasing radicals production from ultrasound. Here we report the generation of ROS together with H<sub>2</sub> evolution or increase of oxidizing species during ultrasonic treatments of homogeneous concentrated aqueous solutions of simple salts as acidic phosphates, potassium sodium tartrate and alkaline nitrates. An increase in organic dye degradation efficiency, and the increase of reducing or oxidizing species compared with pure water has been found. The activation mechanism revealed a new, unexpected, approach to enhance the efficiency of sono-catalyzed reactions in aqueous media for environmental or energy applications. Oxidizing agent ; Aqueous solution ; Radical ; Degradation (telecommunications) ; Sonochemistry ; Cavitation ; Oxygen Ultrasound and Cavitation Phenomena ; Advanced oxidation water treatment ; Ultrasound and Hyperthermia Applications
Authors: Toyib Seun Oyewole | Medinat Olubunmi Osundiya | Olawale L. Osifeko | Sunday Adekunle Adebanjo | Misturah Opeyemi Aribidesi | Glory Boluwarin Olaoluwa | Olowu Rasaq Adewale
Source: Discover Chemistry. (article, 2026-03-16)
Field: Materials Science — Materials Chemistry

Green synthesis of zinc oxide nanoparticles from Morinda Lucida leaf extract for biosorption application, kinetics, and thermodynamic studies The release of dye-contaminated effluents from industrial processes poses a serious threat to aquatic ecosystems and public health. In this study, zinc oxide nanoparticles (ZnO NPs) were synthesized using Morinda lucida leaf extract through an eco-friendly green synthesis route. The nanoparticles were characterized using UV–Vis, FTIR, XRD, TEM, SEM–EDS, and pHpzc analyses. XRD confirmed a hexagonal wurtzite structure with an average crystallite size of 16.5 nm, while TEM revealed quasi-spherical particles with a narrow size distribution. The ZnO NPs were applied for the adsorptive removal of methylene blue (MB) and indigo carmine (IC) dyes under varying pH, contact time, concentration, temperature, and adsorbent dosage. The adsorption process showed a maximum removal of 95% for IC at pH 5, while MB achieved 90% removal at pH 9. Maximum adsorption capacities were 26.67 mg g⁻¹ for IC and 25.12 mg g⁻¹ for MB. Kinetic modelling revealed pseudo-second-order behavior, while isotherm fitting showed that MB followed the Langmuir model and IC followed the Freundlich model. Thermodynamic analysis indicated endothermic adsorption with increasing spontaneity at higher temperatures. FTIR before/after adsorption and pHpzc data supported electrostatic attraction and surface complexation as dominant mechanisms. ZnO NPs also demonstrated good reusability over three cycles. The study demonstrates that M. lucida-mediated ZnO NPs are promising, sustainable adsorbents for dye-contaminated wastewater treatment. Zinc ; Biosorption ; Nanoparticle ; Morinda ; Adsorption ZnO doping and properties ; Adsorption and biosorption for pollutant removal ; Ionic liquids properties and applications
Authors: Bingzhi Li | Bingce Liu | Enyu Guo | Zhihao Zhou | Yibo Ouyang | Xiao‐Bo Chen | Huijun Kang | ZongNing CHEN | TongMin WANG
Source: Advanced Science (article, 2026-02-10)
Field: Materials Science — Polymers and Plastics

Skin‐Inspired Design of Self‐Healing Coatings Integrating Interface‐Liquid Repellency and Corrosion Resistance Designing coatings with a wide spectrum of functions such as self-healing, liquid repellency, anticorrosion, and a high level of mechanical robustness is crucial in engineering applications. However, simultaneously meeting two or more conflicting requirements remains a challenge. In this work, a holistic, skin-inspired tri-layer coating is proposed to resolve the conflicting requirements of self-healing, liquid repellency, and corrosion resistance in hydrophilic polymer materials. The rational design of multiple gradients in self-healing, wetting, and strength endows a sustained liquid repellency, corrosion resistance, and self-healing even under harsh environments, as well as strong adhesion with metal substrate. The skin-inspired tri-layer coating exhibits complete self-healing even in harsh aqueous environments, owing to the synergistic interaction between layers. The tri-layer structure consists of a hydrophobic epidermis-like barrier layer, a hydrophilic self-healing polymer middle layer, and a micro-arc oxidation porous base layer that provide strong interfacial adhesion and mechanical support. The hydrophilic polymer layer, composed of polyvinyl alcohol and tannic acid, rapidly repairs damaged coating regions through hydrogen bonding and diffusion, triggered by water molecules. Meanwhile, the hydrophobic outer layer acts as a sealing barrier, limiting excessive diffusion of the hydrophilic polymer. Such an integrated skin-inspired coating strategy provides new insights into design and manufacturing multifunctional polymeric coatings to tackle the critical challenges in a variety of engineering services. Corrosion ; Coating ; Polymer ; Porosity ; Layer (electronics) ; Polyvinyl alcohol ; Aqueous solution Polymer composites and self-healing ; Hydrogels: synthesis, properties, applications ; Surface Modification and Superhydrophobicity
Authors: Shaker T. Alsharif
Source: Frontiers in Pharmacology (article, 2026-03-30)
Field: Chemistry — Spectroscopy

Formulation and characterization of agar based aerogels as potential implantable controlled drug delivery system Introduction Agar-based aerogels have emerged as promising candidates for implantable drug delivery systems due to their tunable porosity, mechanical properties, and biocompatibility. Methods Agar aerogels were prepared at varying concentrations (2, 2.5, 3, and 3.5% w/v) and loaded with caffeine as a model drug using preloading and post-loading techniques. The formulations were characterized for mechanical strength, porosity, swelling behavior, drug content distribution, and in vitro release profiles. Raman mapping and HPLC analysis were employed to evaluate drug distribution and quantification. Results Increasing agar concentration significantly enhanced mechanical strength while reducing porosity and swelling capacity. Preloaded aerogels demonstrated improved mechanical stability, whereas post-loaded aerogels exhibited reduced strength with increasing loading volume. Drug distribution was more homogeneous at lower agar concentrations and moderate drug loadings. All formulations exhibited biphasic release profiles, with an initial burst release followed by sustained release, influenced by agar concentration, drug loading, and loading method. Discussion Optimized formulations, particularly preloaded aerogels with 5% caffeine and post-loaded aerogels with 1% caffeine at controlled volumes, demonstrated desirable mechanical and release characteristics. These findings highlight the potential of agar-based aerogels as versatile and tunable systems for localized controlled drug delivery. Drug delivery ; Swelling ; Drug ; Agar ; Mechanical strength ; Porosity ; Characterization (materials science) Aerogels and thermal insulation ; Hydrogels: synthesis, properties, applications ; Advanced Cellulose Research Studies
Authors: Anni Fang | Jie Gao | Yunzhu Lu | Lidong Wu | Lei Cheng
Source: Nanoscale Advances (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Metal–organic framework (MOF)-embedded magnetic polysaccharide hydrogel beads for rapid and selective adsorption of malachite green and crystal violet This study aims to tackle water pollution caused by toxic triphenylmethane dyes-specifically malachite green (MG) and crystal violet (CV)-by developing a metal-organic framework (MOF)-based magnetic hydrogel microsphere (MMOF) using sodium alginate as the matrix. Magnetic MOF particles were embedded into the sodium alginate hydrogel to form porous, stable magnetic microsphere adsorbents. Scanning electron microscopy confirmed their morphology and structural features, showing abundant active sites and well-defined adsorption channels. Under the optimized conditions, the adsorption rate of MMOF for MG reached 97.67%, and the adsorption equilibrium time was 50 minutes. The adsorption rate of MMOF for CV was 97.33%, and the adsorption equilibrium time was 60 minutes, with maximum adsorption capacities of 1008.6 mg g<sup>-1</sup> and 1100.1 mg g<sup>-1</sup>, respectively, demonstrating outstanding dye removal ability. These magnetic microspheres also enabled rapid solid-liquid separation under an external magnetic field, supporting convenient operation and reusability. Overall, these composite microspheres represent a promising adsorbent for efficient removal of organic dye contaminants from aquatic product matrices, with strong potential for food safety applications. Adsorption ; Crystal violet ; Malachite green ; Scanning electron microscope ; Magnetic separation ; Magnetic nanoparticles ; Selective adsorption ; Microsphere Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Layered Double Hydroxides Synthesis and Applications
Authors: Mark E Ritchie
Source: Preprints.org (preprint, 2026-03-06)
Field: Chemistry — Physical and Theoretical Chemistry

A Thermodynamic Framework for the Temperature Dependence of Metabolism Metabolism in living things is the combination of enzyme-catalyzed biochemical reactions that drive biological work in the form of energy capture and release, molecule synthesis, cell replication and other functions. It is constrained by many factors, including resources, enzyme characteristics, and temperature under the requirement that organisms persist through time. Here, the biochemical foundation for metabolism is viewed from a thermodynamic perspective that explores three different metabolic currencies: (1) entropy production, which reflects the ability to persist at or near steady state through time by the rate at which entropy of surroundings is increased relative to that inside a system, (2) reaction rate or the rate of formation of products, and (3) power, the rate at which “free” (Gibbs) energy available for doing work is generated. Rate-temperature relationships for each objective are derived from a reaction-displacement model of a metabolic reaction for near-steady-state conditions, which are presumed to be required for organisms to persist over time. Reaction rate, entropy production and Gibbs energy production are maximized at different optimal temperatures, Topt, all at barely distinguishable near-maximum reaction rates. These theoretical predictions nevertheless provide distinct, testable hypotheses for organism response to temperature under maximizing each of the three metabolic currencies. The framework also suggests that there exists a maximum temperature for life, Tmax, at which entropy generated near reaction sites by reaction activation becomes greater than that generated away from reaction sites by the dissipation of heat and products. The framework predicts shifts in Topt and Tmax that differ among types of reactions, enzyme concentrations, organism element concentration and varying body size. Overall, the framework provides a greatly expanded set of hypotheses and explanations for temperature performance relationships for life, including variation in both Topt and Tmax, for growth versus locomotion and respiration, “fast” versus “slow” life histories, resource-rich versus resource-poor environments, and intra- and interspecific variation in body size. Organism ; Gibbs free energy ; Metabolic rate ; Entropy production ; Entropy (arrow of time) ; Dissipation ; Energy metabolism ; Work (physics) ; Reaction rate thermodynamics and calorimetric analyses ; Sustainability and Ecological Systems Analysis ; Physiological and biochemical adaptations
Authors: Suha Ibrahim | Angana Sarkar
Source: Water Environment Research (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Non‐Antibacterial Mechanisms of <scp> <i>Agave sisalana</i> </scp> Saponins‐Glycerol as a Green Inhibitor for Biofilm‐Induced Corrosion on Copper Surfaces Green corrosion inhibitors have gained attention as natural and eco-friendly solutions for microbiologically induced corrosion in various industries. This study investigates the potential of Agave sisalana saponins (ASS) combined with glycerol, a green solvent, to control biofilm-induced corrosion on copper surfaces. Bacterial strains with strong biofilm-forming abilities were isolated from Koel River water and identified through 16S rRNA gene amplification. Phylogenetic analysis confirmed the presence of Acinetobacter spp., Exiguobacterium sp. BFR12y, and Solibacillus sp. BFR13. Structural characterization of ASS using FTIR spectroscopy, NMR, and high-resolution mass spectroscopy confirmed the surfactant properties of extracted saponins. The Agave sisalana saponins-glycerol combination (ASSG) exhibited no antibacterial activity at the tested concentrations. However, colony-forming unit (CFU/biofilm) counts, CLSM, and SEM revealed a significant biofilm inhibition efficacy of 80.14%. Corrosion rate and electrochemical impedance spectroscopy study demonstrated 76.42% corrosion inhibition. The inhibitory effect of ASSG was attributed to its adsorption onto metal surfaces, resulting in a reduction in bacterial motility and adhesion, and Cu<sub>2</sub>O formation, as confirmed by motility assay, contact angle measurement, and Raman spectroscopy analysis. The findings suggest the potential use of the Agave sisalana saponins-glycerol combination as a green, prospective corrosion inhibitor, with promising applications in cooling water systems across various industries. Corrosion ; Dielectric spectroscopy ; Agave ; Copper ; Biofilm ; Corrosion inhibitor ; Fourier transform infrared spectroscopy ; Biofouling Corrosion Behavior and Inhibition ; Marine Sponges and Natural Products ; Marine Biology and Environmental Chemistry
Authors: Federico Vavassori | Pietro Anzini | Marco Lamperti | Matteo Uboldi | Sandro Recchia | Giosuè Saibene | Veronica Remori | Roberto Tallarita | Benedict Josua Elvers | Carola Schulzke | Mauro Fasano | Andrea Penoni | Veronica Pettinato | Luca Nardo | Angelo Maspero
Source: Pharmaceuticals (article, 2026-01-27)
Field: Materials Science — Materials Chemistry

Synthesis, Characterization, and Magnetic Properties of Fe(BIP)3, a Novel Paramagnetic Relaxation Agent <b>Background/Objectives</b>: First row transition metal ions have recently regained attention in coordination chemistry as alternatives to gadolinium-based paramagnetic contrast agents, motivated by emerging safety concerns associated with certain Gd<sup>3+</sup>-based contrast agents. In this study, we report the development of a novel homoleptic diketonate Fe<sup>3+</sup> complex functionalized with biocompatible indole moieties. We investigate its potential as a paramagnetic relaxation agent by evaluating its ability to modulate the T<sub>1</sub> and T<sub>2</sub> relaxation times of water proton. <b>Methods</b>: Iron(III) tris-1,3-(1-methylindol-3-yl)propanedionate [Fe(BIP)<sub>3</sub>] was synthesized via a thermal method from bis(1-methylindol-3-yl)-1,3-propanedione (HBIP) using Fe(ClO<sub>4</sub>)<sub>3</sub>∙6 H<sub>2</sub>O as the metal source. The complex was characterized by UV-Vis, IR and NMR spectroscopy, differential scanning calorimetry-thermogravimetric analysis, and single-crystal X-ray diffraction. Fe(BIP)<sub>3</sub> aggregation behavior in aqueous environment, including size and morphology of aggregates, was investigated using dynamic light scattering and scanning electron microscopy. Incorporation of the aggregates into phospholipid vesicles was evaluated by fluorescence resonance energy transfer and fluorescence correlation spectroscopy. The paramagnetic properties of monomeric Fe(BIP)<sub>3</sub> were probed in solution by nuclear magnetic resonance recurring to the Evans bulk magnetization method. <b>Results</b>: The designed synthetic procedure successfully afforded Fe(BIP)<sub>3</sub>, which was fully characterized by UV-Vis and IR spectroscopy, as well as single-crystal X-ray diffraction. Aqueous solutions of Fe(BIP)<sub>3</sub> spontaneously formed rice-grain-shaped nanoscale aggregates of hydrodynamic radius ≈ 30 nm. Incorporation of these aggregates into phospholipid vesicles enhanced their stability. The longitudinal r<sub>1</sub> and transverse r<sub>2</sub> relaxivities of Fe(BIP)<sub>3</sub> aggregates were assessed to be 1.92 and 52.3 mM<sup>-1</sup>s<sup>-1</sup>, respectively, revealing their potential as paramagnetic relaxation agents. <b>Conclusions</b>: Fe(BIP)<sub>3</sub> aggregates, stabilized through incorporation into phospholipid vesicles, demonstrate promising potential as novel paramagnetic relaxation agents in aqueous environments. Paramagnetism ; Aqueous solution ; Relaxation (psychology) ; Dynamic light scattering ; Hydrodynamic radius ; Magnetization ; Electron paramagnetic resonance ; Nanoparticle Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Metal complexes synthesis and properties
Authors: Giovanni Marco Saladino
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Intravital microscopy for nanomedicine: investigating nanoparticle–tissue interactions in the native state Nanomedicine is an evolving field that employs nanoparticles (NPs) for drug delivery systems, molecular imaging, and therapeutic interventions. However, characterizing NP-cell interactions poses significant challenges, mainly due to the limitations of traditional postmortem histological methods, such as immunofluorescence staining. These techniques yield a single time-point analysis and include lengthy preprocessing steps that can induce artifacts and alter tissue architecture. They result in the clearance of blood components, preventing the evaluation of circulating NPs. Moreover, the rapid sequestration of NPs by organs, particularly the liver and spleen, limits the understanding of their biodistribution and pharmacokinetic profiles. In this context, intravital microscopy (IVM) has emerged as a unique imaging technology that allows real-time visualization of NP behavior within living organisms. By maintaining the physiological context, IVM enables the investigation of NP circulation, tissue accumulation, and cellular interactions at the microscopic scale. This review focuses on the recent uses of IVM to investigate NP-cell interactions in nanomedicine, highlighting its impact on advancing knowledge of NP dynamics, uptake, and the development of more targeted NP-based therapies. Intravital microscopy ; Biodistribution ; Nanomedicine ; Drug delivery ; Confocal microscopy ; Nanotoxicology ; Targeted drug delivery Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Biosensing Techniques and Applications ; Nanoplatforms for cancer theranostics
Authors: Takahiro Ueda | Yuta Yamada | Kota Fujii | Ryota Mihara | Taku Iiyama | Yasutaka HAMADA | Mitsutaka Okumura
Source: Adsorption (article, 2026-03-01)
Field: Chemistry — Inorganic Chemistry

Intermolecular interactions governing adsorption of bulky molecules on ZIF-8: Insight from adsorption kinetics of benzene and 6-membered ring alicyclic hydrocarbons This study examined the adsorption kinetics of benzene and six-membered ring alicyclic hydrocarbons on Zeolitic imidazolate framework-8 (ZIF-8) to elucidate the interactions between the adsorbed molecules and linkers on the adsorption behavior of bulky molecules. The temperature dependence of the apparent Fickian diffusion coefficient was analyzed to determine the activation entropy and energy of diffusion. The significant negative values observed for the activation entropy, from − 170 to − 220 J K− 1 mol− 1, indicate a restriction on the degree of freedom of the adsorbate molecules within the diffusion transition state, thereby reducing the apparent diffusion coefficients. The molecular orientations of the adsorbate molecules traversing the ZIF-8 aperture were investigated using Monte Carlo simulations. Order parameter analysis revealed that the molecular orientation was constrained to minimize the energy barrier with passage through the aperture. Fourier-transform infrared (FT-IR) spectroscopy and 13C cross-polarization magic angle spinning (CP/MAS) nuclear magnetic resonance (NMR) measurements supported the CH-π interactions between the adsorbate molecules and 2-methylimidazolate linkers. This interaction maintained the orientation of the adsorbate molecules, facilitating their passage through the ZIF-8 apertures. CH-π interactions influence molecular orientation control in the adsorption and diffusion of large molecules containing π electrons in porous materials with organic ligands. Molecule ; Adsorption ; Alicyclic compound ; Intermolecular force ; Activation energy ; Kinetics ; Benzene ; Magic angle spinning Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Adsorption and biosorption for pollutant removal