jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rania Essam | Sayed R. Abdel‐Hafeez | M.M. El-Rabiei | N. Burham | M.F. El–Shahat | Ahmed Radwan
Source: Applied Organometallic Chemistry (article, 2025-04-01)
Field: Chemistry — Inorganic Chemistry

Harnessing Temperature‐Dependent Breathing Behaviour in Aluminium‐Based MOF for Enhanced Congo Red Dye Removal ABSTRACT A novel and efficient strategy for dye adsorption is provided by unlocking the temperature‐dependent breathing behaviour of aluminium‐based metal–organic frameworks (Al‐MOF). Distinct from conventional MOF adsorption studies, this research uniquely elucidates the dynamic structural adaptations of Al‐MOFs that enable the accommodation of large dye molecules, specifically Congo red (CR). Hydrothermally synthesised Al‐MOFs—extensively characterised to confirm exceptional crystallinity, high porosity (BET surface area of 173 m 2 g −1 ), and thermal stability—exhibit a remarkable temperature‐responsive ‘breathing’ mechanism. Elevated temperatures induce reversible phase transitions from narrow to large pores, resulting in a significant expansion of pore volume that dramatically enhances CR adsorption, achieving a maximum capacity of 223.8 mg g −1 . The adsorption behaviour conforms to the Langmuir model (R 2 &gt; 0.990) and follows pseudo–second‐order kinetics (R 2 = 0.993), confirming homogeneous chemisorption. Thermodynamic analysis indicates that the adsorption process is both spontaneous (ΔG° &lt; 0 at ≥ 303 K) and endothermic (ΔH° = +82.06 kJ mol −1 , ΔS° = +271.7 J mol −1 K −1 ), further substantiating the role of the breathing mechanism. Importantly, the Al‐MOF demonstrates outstanding reusability, retaining over 90% adsorption efficiency after five cycles. These findings firmly establish temperature‐responsive breathing Al‐MOFs as transformative, thermodynamically favourable, and highly reusable adsorbents, offering a promising solution for the advanced environmental remediation of hazardous dye pollutants. Chemistry ; Congo red ; Aluminium ; Chemical engineering ; Breathing ; Organic chemistry ; Adsorption ; Anesthesia Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Magnesium Oxide Properties and Applications
Authors: Joaquin Martínez-Ortigosa | Reisel Millán | Jorge Simancas | Jose Alejandro Vidal Moya | Charlotte Martineau | Fernando Rey | Teresa Blasco
Source: Inorganic Chemistry Frontiers (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

New insights into fluoride's role in MFI zeolites: unveiling the link between location and synthesis conditions Synthesis conditions dictate charge distribution in pure silica MFI zeolite, influencing structural defects and fluoride positioning. Link (geometry) ; Fluoride ; Chemistry ; Inorganic chemistry ; Computer science ; Computer network Inorganic Fluorides and Related Compounds ; Fluoride Effects and Removal ; Chemical Synthesis and Characterization
Authors: Livia Getzner | Yasmine Remili | Zakaria Ziani | Laure Vendier | William Nicolazzi | Aurelian Rotaru | Haizhu Yu | Gábor Molnár | Saioa Cobo | Azzedine Bousseksou
Source: Angewandte Chemie International Edition (article, 2025-06-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Elucidating the Correlation Between the Redox Potential, Spin State, and Crystal Structure in a Series of Ferrous Complexes with Redox‐Active Ligands Accurately predicting the spin crossover (SCO) temperature (T<sub>1/2</sub>) in spin crossover compounds remains a significant challenge due to their extreme sensitivity to minor variations in ligand and crystal structure. In this study, we uncover a critical link between the redox potential of ligands and SCO behavior within Hofmann-type clathrates {Fe(R-pbpy⁺)₂[μ₂-M(CN)₄]₂} (R = electron-donating or electron-withdrawing groups, M = Pd or Pt). Through precise tuning of the ligands' electronic properties, we establish a correlation between redox potential, space group, and SCO temperature, explained by an adaptation of Marcus theory of electron transfer. These findings not only provide a deeper understanding of the factors governing SCO behavior but also present a promising strategy for the rational design of SCO materials with tailored properties. Redox ; Ferrous ; Series (stratigraphy) ; Chemistry ; Oxidation state ; Crystallography ; Spin states ; Spin (aerodynamics) ; Chemical physics ; Inorganic chemistry ; Thermodynamics ; Physics ; Metal ; Organic chemistry ; Geology Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal complexes synthesis and properties
Authors: Shelesh krishna saraswat | Ahmed M. Naglah | Jayanti Makasana | Hamidah Abu Bakar | Suhas Ballal | Munthar Kadhim Abosaoda | V. Kavitha | Lakshay Bareja | Pushpa Negi Bhakuni | Ojas Prakashbhai Doshi
Source: Scientific Reports (article, 2025-04-15)
Field: Chemistry — Organic Chemistry

Fe3O4@SiO2-LY-C-D-Pd as a new, effective, and magnetically recoverable catalyst for the synthesis of 1H-tetrazoles and asymmetric biphenyls This research project explored the synthesis and characterization of a newly developed C-D-Pd complex immobilized on Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-LY, designed as a reusable magnetic catalyst. The heterogeneous nanocatalyst was thoroughly characterized using EDS, FTIR, XRD, XPS, TGA, SEM, VSM, and ICP techniques. The Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-LY-C-D-Pd catalyst demonstrates exceptional performance in catalyzing C-C coupling reactions and <sup>1</sup>H-tetrazole derivatives, achieving high product yields. This catalyst offers several advantages, including eco-friendly reaction conditions, minimal catalyst usage, a simple experimental setup, the elimination of harmful organic solvents, reduced reaction times, and the ability to accommodate diverse substrates. Additionally, the nanocatalyst is easily separable from the reaction mixture and can be reused multiple times without losing stability or catalytic efficiency. Catalysis ; X-ray photoelectron spectroscopy ; Tetrazole ; Fourier transform infrared spectroscopy ; Reaction conditions ; Chemical engineering ; Materials science ; Chemistry ; Combinatorial chemistry ; Nuclear chemistry ; Organic chemistry Synthesis of Tetrazole Derivatives ; Multicomponent Synthesis of Heterocycles ; Microwave-Assisted Synthesis and Applications
Authors: Junhao Chen | Zhengjia Chen | Liang Tong | Zhennan Zhang | Dahang Cheng | Shurui Liu | Haiyang Liu | Cuicui Liu | Xiaohui Song
Source: Frontiers in Chemistry (article, 2025-01-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Investigating Raman peak enhancement in carboxyl-rich molecules: insights from Au@Ag core-shell nanoparticles in colloids Surface-enhanced Raman scattering (SERS) is a promising analytical technique with applications in environmental monitoring, healthcare, and the biopharmaceutical industry. While SERS has been successfully applied to molecules such as 4-mercaptobenzoic acid and other thiol- and amine-containing compounds, there is limited research on its detection capabilities for molecules rich in carboxyl groups or unsaturated bonds, such as citric acid. This study investigates the SERS enhancement of Au@Ag core-shell nanoparticles in response to citric acid and other molecules with carboxyl and unsaturated bonds. We compare the SERS behavior of nanoparticles in freshly prepared and aged sodium citrate solutions to identify differences in Raman peak enhancement. Our findings show that the Au@Ag core-shell nanoparticles exhibit significant SERS enhancement when exposed to citric acid and other related compounds. The enhancement varies based on the age of the sodium citrate solution, which influences the structural properties of the nanoparticles. This work opens avenues for further research and applications in biological monitoring, environmental testing, and the pharmaceutical industry. Citric acid ; Sodium citrate ; Nanoparticle ; Molecule ; Raman scattering ; Raman spectroscopy ; Nanotechnology ; Chemistry ; Materials science ; Chemical engineering ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Mohammad Ali Shirani | Mohaddeseh Afshari | Ignacio Romero‐Muñiz | Ana E. Platero‐Prats | Mohammad Dinari | Félix Zamora
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Designing covalent organic frameworks for organic catalysis: bridging reticular and molecular chemistry This work highlights how covalent organic frameworks can be structurally designed for efficient organic catalysis by combining molecular and reticular chemistry, through backbone tuning, ligands design, metal incorporation, and nanostructure hosting. Bridging (networking) ; Catalysis ; Covalent bond ; Chemistry ; Reticular connective tissue ; Organic chemistry ; Nanotechnology ; Polymer science ; Materials science ; Computer science Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Jana Glatz | Jesús Cases Díaz | Jorge Salinas‐Uber | David Talens-Perales | Julio Polaina | Mónica Giménez‐Marqués
Source: ACS Applied Materials & Interfaces (article, 2025-05-01)
Field: Chemistry — Inorganic Chemistry

Channel-Directed Enzymatic Depolymerization within a Metal–Organic Framework Controlled growth of metal-organic frameworks (MOFs) under mild conditions has enabled the production of hybrid biocomposites with potential applications in biocatalysis. While the structure and bioactivity of confined enzymes are retained, improving the mass transport across the porous architecture remains a challenge. Here, we report a biocompatible and scalable synthetic procedure of a phase-pure aluminum trimesate porous framework, MIL-110(Al), featuring accessible microporous channels. The method is compatible with the <i>in situ</i> encapsulation of enzymes via a Lewis acid-mediated mineralization, reaching high efficiencies, and with control over protein loading. Moreover, we demonstrate a favored channel-directed depolymerization in a model biocomposite, xylanase@MIL-110(Al), which successfully hydrolyzes the xylan polymer over consecutive cycles. This work emphasizes the possibility of improving the overall enzymatic performance in depolymerization reactions by using MOF-protective scaffolds featuring large accessible porosity. Depolymerization ; Materials science ; Metal ; Nanotechnology ; Channel (broadcasting) ; Key (lock) ; Polymer chemistry ; Computer science ; Metallurgy ; Telecommunications Metal-Organic Frameworks: Synthesis and Applications ; Asymmetric Hydrogenation and Catalysis ; Metal complexes synthesis and properties
Authors: Saeed M.N. Alasmari | Aftab Alam | Fayaz Ur Rahman | Ahmed A. Elhenawy | Abid Ali | Manzoor Ahmad | Momin Khan
Source: Mini-Reviews in Medicinal Chemistry (review, 2025-01-15)
Field: Chemistry — Organic Chemistry

Exploring the Versatility of Azine Derivatives: A Comprehensive Review on Synthesis and Biological Applications Organic compounds containing azines, di-imines, or bis-Schiff-bases have two azomethine (-CH=N-) functional groups associated with a bridging component. These constituents have attracted attention from a diversity of disciplines, comprising coordination, medicinal, agriculture chemistry, and organic synthesis, because of their comprehensive chemical reactivity and nature. This study determines common synthetic approaches and various biological and pharmacological activities of several substituted bis-Schiff byproducts. The usefulness of <i>bis</i>-Schiff bases in synthetic chemistry and their potential as inhibitors of a number of enzymes have attracted research attention. We have examined different biological activities and common synthetic methods used to make <i>bis</i>- Schiff bases that have been published in the literature. A systematic search of the literature has been performed, and studies fitting the prearranged inclusion standards have been inspected. This review can open up new potentials for upcoming research in this area and advance our information on bis- Schiff bases. Azine ; Biochemical engineering ; Engineering ethics ; Nanotechnology ; Computer science ; Combinatorial chemistry ; Computational biology ; Engineering ; Chemistry ; Biology ; Materials science ; Organic chemistry Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and biological activity ; Click Chemistry and Applications
Authors: Tien Tan Bui | Yan Zhao
Source: Nanomaterials (article, 2025-01-23)
Field: Chemistry — Analytical Chemistry

Molecularly Imprinted Nanozymes for Selective Hydrolysis of Aromatic Carbonates Under Mild Conditions Aliphatic polycarbonate (PC) can be readily hydrolyzed by lipase, but bisphenol A-derived PC (i.e., BPA-PC) lacks enzyme catalysts for their efficient hydrolysis due to the high hydrophobicity and rigidity of its polymer backbone. This study aims to develop an artificial nanozyme for the selective hydrolysis of small-molecule aromatic carbonates as model substrates for BPA-PC. The catalyst is prepared through molecular imprinting of cross-linkable micelles in a one-pot reaction using a thiourea template and a zinc-containing functional monomer. The resulting water-soluble nanoparticle resembles a hydrolytic metalloenzyme to bind the appropriately shaped aromatic carbonate substrate in the active site, with the nearby zinc acting as a cofactor to activate a water molecule for the nucleophilic attack on the carbonate. Catalytic hydrolysis is observed at room temperature and pH 7, with a rate acceleration of 1 × 10<sup>6</sup> for diphenyl carbonate. Chemistry ; Hydrolysis ; Catalysis ; Bisphenol A ; Monomer ; Polycarbonate ; Molecular imprinting ; Organic chemistry ; Zinc ; Thiophenol ; Thiourea ; Phenol ; Nucleophile ; Combinatorial chemistry ; Selectivity ; Polymer chemistry ; Polymer Analytical chemistry methods development ; Advanced Nanomaterials in Catalysis ; Carbon dioxide utilization in catalysis
Authors: Christoph Schmidleitner | Matthias Udo Kriehuber | Roman Korotkov | Sandra Schlögl | Elisabeth Rossegger
Source: Polymer Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Frontal polymerization of thiol–acrylate covalent adaptable networks Herein, energy-efficient curing is combined with the versatility of dynamic polymer networks. The resulting materials show fast stress relaxation via transesterification reactions and can be reprocessed and reshaped at elevated temperatures. Polymerization ; Acrylate ; Thermosetting polymer ; Covalent bond ; Polymer chemistry ; Curing (chemistry) ; Materials science ; Chemistry ; Polymer ; Organic chemistry ; Composite material ; Copolymer Photopolymerization techniques and applications ; Carbon dioxide utilization in catalysis ; biodegradable polymer synthesis and properties
Authors: Alen Sam Thomas | Philip Nathaniel Immanuel | Neena Prasad | Achiad Goldreich | Jonathan Prilusky | Raanan Carmieli | Lena Yadgarov
Source: Nanoscale Advances (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Synthesis of CsPbBr <sub>3</sub> decorated ZIF-8 nanocomposite for enhanced photocatalytic performance CsPbBr<sub>3</sub> (CPB) perovskite nanocrystals (NCs) have attracted considerable interest due to their outstanding charge carrier mobility, long diffusion lengths, and efficient visible light absorption, making them ideal candidates for photocatalysis, light-emitting diodes (LEDs), solar cells, and photodetectors. However, their practical applications are limited by poor environmental stability. To address this challenge, we employ a zeolitic imidazolate framework (ZIF), specifically ZIF-8, as a stabilizing matrix for its exceptional thermal and chemical stability, high surface area, and versatile synthesis routes. The CPB/ZIF-8 nanocomposite was synthesized by integrating hot-injection-produced CPB NCs with ZIF-8 using an optimized mixing approach, ensuring a uniform NCs distribution. Electron microscopy (EM) analysis confirmed the well-controlled and uniform distribution of the NCs on the surface of the ZIF-8. Moreover, the Fourier-transform infrared spectroscopy (FTIR) revealed ligand exchange, where the imidazole linkers of the ZIF-8 structure replace the NCs ligands. The process advances almost epitaxial attachment of the latter, thus promoting effective charge interactions in the integration process. Indeed, we observe that upon formation of the composite, there is a 92% quenching in the photoluminescence (PL) of the NCs. This finding further indicates efficient charge separation and reduced electron-hole recombination. To gain deeper insight into the charge transfer mechanisms, we conducted electron paramagnetic resonance (EPR) measurements to compare the radical generation capabilities of CPB and ZIF with those of the CPB/ZIF composite. The composite exhibited superior radical generation capabilities, particularly hydroxyl radicals (˙OH), indicating enhanced charge transfer. These findings suggest that the composite is a highly promising candidate for photocatalysis. Building on these findings, we explored the photocatalytic abilities of the composite through dye degradation experiments, using methyl orange (MO) and bromocresol green (BCG) as model dyes. The CPB/ZIF nanocomposite demonstrated significantly enhanced photocatalytic performance compared to pristine ZIF and CPB NCs. Specifically, its degradation rates were 1.48× and 1.75× higher for MO and BCG, respectively, than those of CPB NCs. This improvement highlights the effective interaction between CPB NCs and ZIF, establishing the CPB/ZIF nanocomposite as a promising material for photocatalysis and optoelectronic applications. Nanocomposite ; Photocatalysis ; Materials science ; Aerosolization ; Chemical engineering ; Nanotechnology ; Chemistry ; Medicine ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Perovskite Materials and Applications ; Advanced Photocatalysis Techniques
Authors: Keming Li | Yuanle Su | Shuhan Sun | Nikolay Sirotkin | А. В. Агафонов | Kangle Lv | Jinbo Xue | Shixiong Liang | Yanting Tian | Zhanfeng Li | Yue Tian | Xianqiang Xiong
Source: Carbon Energy (article, 2025-07-07)
Field: Materials Science — Materials Chemistry

Efficient Crystallization of Conjugated Microporous Polymers to Boost Photocatalytic CO<sub>2</sub> Reduction ABSTRACT The use of conjugated microporous polymers (CMPs) in photocatalytic CO 2 reduction (CO 2 RR), leveraging solar energy and water to generate carbon‐based products, is attracting considerable attention. However, the amorphous nature of most CMPs poses challenges for effective charge carrier separation, limiting their application in CO 2 RR. In this study, we introduce an innovative approach utilizing donor π‐skeleton engineering to enhance skeleton coplanarity, thereby achieving highly crystalline CMPs. Advanced femtosecond transient absorption and temperature‐dependent photoluminescence analyses reveal efficient exciton dissociation into free charge carriers that actively engage in surface reactions. Complementary theoretical calculations demonstrate that our highly crystalline CMP (Py‐TDO) not only greatly improves the separation and transfer of photoexcited charge carriers but also introduces additional charge transport pathways via intermolecular π–π stacking. Py‐TDO exhibits outstanding photocatalytic CO 2 reduction capabilities, achieving a remarkable CO generation rate of 223.97 μmol g −1 h −1 without the addition of chemical scavengers. This work lays pioneering groundwork for the development of novel highly crystalline materials, advancing the field of solar‐driven energy conversion. Conjugated microporous polymer ; Microporous material ; Crystallization ; Photocatalysis ; Conjugated system ; Reduction (mathematics) ; Materials science ; Polymer ; Chemical engineering ; Chemistry ; Organic chemistry ; Catalysis ; Composite material ; Engineering ; Mathematics Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Madina Suleimenova | A. Tabynbayeva | Kainaubek Toshtay | Жандос Тауанов
Source: Membranes (review, 2025-09-26)
Field: Materials Science — Materials Chemistry

Composite Membranes Based on MXene and Nanocellulose for Water Purification: Structure, Efficiency, and Future Prospects The development of efficient and environmentally sustainable membrane materials is essential for advancing water purification technologies. This review examines composite membranes that combine the properties of MXene and nanocellulose, focusing on their structural features, functional characteristics, and potential advantages in water treatment applications. Nanocellulose provides a biodegradable, renewable matrix with abundant surface functional groups, while MXene offers high hydrophilicity, electrical conductivity, and adsorption capacity. Based on a critical evaluation of published studies, the review outlines various fabrication strategies, discusses key factors affecting membrane performance-including morphology, surface modification, and interfacial interactions-and highlights the synergistic effects between the two components. The article systematizes current approaches to designing MXene/nanocellulose membranes and establishes a foundation for future scientific and technological development in this field. Nanocellulose ; Membrane ; Composite number ; Adsorption ; Nanofiltration ; Surface modification MXene and MAX Phase Materials ; Membrane Separation Technologies ; Energy Harvesting in Wireless Networks
Authors: Paul Schweng | Elias Rippatha | Clemens Schwarzinger | Robert T. Woodward
Source: Angewandte Chemie International Edition (article, 2025-10-12)
Field: Materials Science — Materials Chemistry

Hypercrosslinked Polymers for Volatile and Very Volatile Organic Compound Capture Beyond Commercial Benchmarks The effective capture of volatile organic compounds (VOCs) and very volatile organic compounds (VVOCs) is crucial for controlling indoor air quality, environmental monitoring, and emission regulation. However, effective VVOC adsorption remains challenging due to their low boiling points, high vapour pressures, and the susceptibility of many adsorbents to competitive water sorption. Here, we report a systematic study on the role of chemical functionality in hypercrosslinked polymers for (V)VOC capture under realistic operational conditions. A series of fluorene-based hypercrosslinked polymers bearing heteroatom substituents (C, N, O, S, and SO<sub>2</sub>) was synthesised and characterised, exhibiting high thermal stability, surface areas up to 1600 m<sup>2</sup>·g<sup>-1</sup>, and micro-/mesoporous architectures. The adsorption performance of these networks is evaluated using thermodesorption- and headspace-gas chromatography-mass spectrometry. Under both dry and humid atmospheres, the hypercrosslinked polymers outperform a commercial benchmark sorbent in the uptake of a ten-component (V)VOC mixture, with the amine-functionalised network achieving the broadest analyte retention range even in the presence of water vapour. Our findings elucidate how polymer chemistry governs sorption behaviour and establish hypercrosslinked polymers as high-performance, tuneable alternatives to state-of-the-art commercial sorbents for capturing volatile analytes. Polymer ; Sorption ; Sorbent ; Heteroatom ; Adsorption ; Volatile organic compound Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport