jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Silvana Alfei
Source: Gels (review, 2025-09-08)
Field: Chemistry — Spectroscopy

Aerogels Part 1: A Focus on the Most Patented Ultralight, Highly Porous Inorganic Networks and the Plethora of Their Advanced Applications Aerogels (AGs) are highly porous, low-density, disordered, ultralight macroscopic materials with immense surface areas. Traditionally synthesized using aqueous sol-gel chemistry, starting by molecular precursors, the nanoparticles (NPs) dispersions gelation method is nowadays the most used procedure to obtain AGs with improved crystallinity and broader structural, morphological and compositional complexity. The Sol-gel process consists of preparing a solution by hydrolysis of different precursors, followed by gelation, ageing and a drying phase, via supercritical, freeze-drying or ambient evaporation. AGs can be classified based on various factors, such as appearance, synthetic methods, chemical origin, drying methods, microstructure, etc. Due to their nonpareil characteristics, AGs are completely different from common NPs, thus covering different and more extensive applications. AGs can be applied in supercapacitors, acoustic devices, drug delivery, thermal insulation, catalysis, electrocatalysis, gas absorption, gas separation, organic and inorganic xenobiotics removal from water and air and radionucleotides management. This review provides first an analysis on AGs according to data found in CAS Content Collection. Then, an AGs' classification based on the chemical origin of their precursors, as well as the different methods existing to prepare AGs and the current optimization strategies are discussed. Following, focusing on AGs of inorganic origin, silica and metal oxide-based AGs are reviewed, deeply discussing their properties, specific synthesis and possible uses. These classes were chosen based on the evidence that they are the most experimented, patented and marketed AGs. Several related case studies are reported, some of which have been presented in reader-friendly tables and discussed. Porosity ; Nanoparticle ; Aqueous solution ; Hydrolysis ; Crystallinity ; Porous medium Aerogels and thermal insulation ; Supercapacitor Materials and Fabrication ; Mesoporous Materials and Catalysis
Authors: Maria Diaz-Galbarriatu | Julia Sánchez‐Bodón | Estíbaliz Hernáez-Laviña | José Luis Vilas‐Vilela | Isabel Moreno-Benítez
Source: Preprints.org (preprint, 2025-07-07)
Field: Materials Science — Biomaterials

Biobased Polyamides: A Journey from the Biomass towards Cutting Edge Materials Biobased polyamides (PAs) are sustainable polymers derived from renewable feedstock, such as biomass, offering a promising alternative to petroleum-based materials. This shift enables more environmentally friendly materials, with reduced carbon footprints and helps address the growing challenge of plastic waste recycling. Since the introduction of fossil-based PAs like Nylon in the 1930s, PAs have played an increasingly important role in various industries, including automotive, textiles, electronics, and packaging. Today, research focuses on biobased alternatives that not only meet sustainability criteria, but also present unique molecular structures derived from natural monomers. These include natural lignin, which provides aromatic building blocks, terpenes or fatty acids, which offer functional diversity and chain flexibility. These monomers have enabled the synthesis of biobased PAs with excellent thermal, mechanical, and barrier properties. Many of these materials exhibit high crystallinity, good chemical resistance, and tunable mechanical strength. Among the most promising biobased variants are furan-based PAs, because of the rigid, planar furan ring and its polar oxygen-rich structure. In this context, this review aims to highlight the advances in the synthesis of biobased PAs, emphasizing the excellent properties of some of them. Indeed, in some cases, biobased PAs exhibit properties comparable to their fossil-based counterparts, with the significant environmental advantage of a much lower carbon footprint. Polyamide ; Enhanced Data Rates for GSM Evolution ; Biomass (ecology) ; Polymer science ; Materials science ; Pulp and paper industry ; Engineering ; Polymer chemistry ; Computer science ; Artificial intelligence ; Agronomy ; Biology biodegradable polymer synthesis and properties
Authors: Jagdish Kumar Rawal | Dr. Anshu Sharma
Source: Asian Journal of Pharmaceutical Research and Development (article, 2025-06-15)
Field: Chemistry — Physical and Theoretical Chemistry

Pharmaceutical Cocrystals: An Overview Poor aqueous solubility and low oral bioavailability of an active pharmaceutical ingredient are the major constraints during the development of new product. Various approaches have been used for enhancement of solubility of poorly aqueous soluble drugs, but success of these approaches depends on physical and chemical nature of molecules being developed. Cocrystallization of drug substances offers a great opportunity for the development of new drug products with superior physicochemical such as melting point, tabletability, solubility, stability, bioavailability and permeability, while preserving the pharmacological properties of the active pharmaceutical ingredient. Cocrystals are multicomponent systems in which two components, an active pharmaceutical ingredient and a coformer were present in stoichiometric ratio and bonded together with non-covalent interactions in the crystal lattice. This review article presents a systematic overview of pharmaceutical cocrystals. Differences between cocrystals with salts, solvates and hydrates are summarized along with the advantages of cocrystals with examples. The theoretical parameters underlying the selection of coformers and screening of cocrystals have been summarized and different methods of cocrystal formation and evaluation have been explained. Cocrystal ; Active ingredient ; Solubility ; Bioavailability ; Ingredient ; Pharmaceutical technology ; Drug Crystallography and molecular interactions ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Sharath Mohan | J. Mikko Rautiainen | Jani O. Moilanen | Jas S. Ward
Source: Crystal Growth & Design (article, 2025-07-23)
Field: Chemistry — Physical and Theoretical Chemistry

A Solid-State Study of the Influence of the Lewis Base on Iodine(I) 4-Trifluoromethylbenzoate Derivatives A library of directly comparable iodine(I) 4-trifluoromethylbenzoate derivatives, which only differ in the stabilizing Lewis bases incorporated, has been assembled. A total of 35 complexes with different Lewis bases were successfully crystallized and their structures determined by SCXRD. These structures encompass a variety of substituted pyridines (2-, 3-, 4-, and disubstituted), as well as for the first time 5-membered N-heterocycles including substituted imidazoles and triazoles. In addition, a wide range of previously untested functional groups have been investigated to probe the functional group tolerance of the iodine(I) center, as well as the potential of these O–I–N complexes to be utilized in further synthetically useful chemical transformations with retention of the iodine(I) center. This library of solid-state structures is also supported by DFT calculations on select examples, permitting further insights to be drawn between the relationship of Lewis basicity and the halogen bonding upon their incorporation into iodine(I) carboxylates. Lewis acids and bases ; Solid-state ; Chemistry ; Iodine ; Base (topology) ; Polymer chemistry ; Combinatorial chemistry ; Organic chemistry ; Physical chemistry ; Mathematics ; Catalysis Crystallography and molecular interactions ; Crystal structures of chemical compounds ; Radioactive element chemistry and processing
Authors: Ruilei Guan | Jesper Dahl Jensen | Shumin Liang | Gen Li | Yawei Liu | Roy Lavendomme | Bo W. Laursen | En‐Qing Gao | Dawei Zhang
Source: Aggregate (article, 2025-11-04)
Field: Materials Science — Materials Chemistry

Integrating Photoredox and Anion‐Binding Capabilities into a Metal–Organic Cage for Iodine Speciation and Sequestration ABSTRACT The management of iodine species, notorious for their environmental persistence and health risks, requires innovative materials capable of efficient capture and conversion. Herein, we report the self‐assembly and characterization of a Zr‐based metal–organic tetrahedron ( 1 ) functionalized with redox‐active triazatriangulenium (TATA + ) panels. The cage exhibits a high binding affinity for triiodide (I 3 − ) (ca. 10 6 M −1 ) in methanol. The strong host–guest complexation significantly facilitates the disproportionation hydrolysis of I 2 to generate I 3 − and HOI. It also enables photocatalytic aerobic oxidation of I − into I 3 − within its cavity. Mechanistic investigations revealed the key steps involving guest‐to‐host photoinduced electron transfer (ET) to generate radicals I • and 1 • and ET from 1 • to dioxygen to generate superoxide. Solid‐state adsorption experiments showed the rapid removal of I 2 and I 3 − from water by 1 ‐NTf 2 because of the high affinity for polyiodides. Importantly, although solid‐state 1 ‐NTf 2 has no ability to directly adsorb I − from water, we have for the first time developed a light‐driven strategy that enables removal of I − through coupled photooxidation and sequestration. This work highlights the significant potential of integrating photoredox‐active moieties within stable metal–organic cages for controlling iodine binding and speciation and opens new avenues to address environmental and energy‐related sequestration challenges. Disproportionation ; Iodine ; Adsorption ; Radical ; Photocatalysis ; Genetic algorithm ; Triiodide Covalent Organic Framework Applications ; Magnetism in coordination complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Julio Cesar Fernandes P. Brito | Gioele Ancora | Ivana Miletto | Enrica Gianotti
Source: Materials (article, 2025-10-29)
Field: Materials Science — Materials Chemistry

Impact of the Synthetic Strategy on the Structure and Availability of Active Sites in Bifunctional Mesoporous Organic–Inorganic Hybrids The development of organic-inorganic hybrid materials bearing both acidic and basic functionalities is a challenging task, as it requires preserving the integrity and availability of two distinct active sites within a single porous network, such as silica. In this study, we report a synthetic approach that combines established grafting and co-condensation methods to achieve a controlled distribution of acidic and basic sites in mesoporous silica. Although each strategy is well known individually, their deliberate integration provides a distinctive pathway to tune the spatial arrangement and mutual preservation of the two functionalities. A comprehensive, multi-technique characterization approach, including in situ analyses and probe molecule adsorption, was used to monitor structural and chemical changes in both the organic and inorganic components. The results reveal that the coexistence of acidic and basic groups is highly sensitive to the synthetic conditions and activation treatments. In particular, basic sites are prone to protonation during the conversion of thiol groups into strong sulphonic acid sites, resulting in a partial loss of basic activity. The extent of this effect depends on the specific preparation route. In conclusion, the combined synthetic and characterization approach offers valuable insights into the nature, stability, and availability of the functional sites, guiding the rational design of advanced bifunctional hybrid materials. Bifunctional ; Mesoporous material ; Characterization (materials science) ; Rational design ; Protonation ; Molecule ; Hybrid material Mesoporous Materials and Catalysis ; Covalent Organic Framework Applications ; Aerogels and thermal insulation
Authors: Eliana Nope | Ángel G. Sathicq | José J. Martínez | I.M. Saavedra Gaona | Michael Castaneda Mendoza | Carlos Arturo Parra Vargas | Gustavo P. Romanelli | Rafael Luque
Source: Nanotechnology Reviews (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Cationic charge influence on the magnetic response of the Fe <sub>3</sub> O <sub>4</sub> –[Me <sup>2+</sup> <sub> 1− <i>y</i> </sub> Me <sup>3+</sup> <sub> <i>y</i> </sub> (OH <sub>2</sub> )] <sup> <i>y</i> + </sup> (Co <sub>3</sub> <sup>2−</sup> ) <sub> <i>y</i> /2 </sub> ·mH <sub>2</sub> O hydrotalcite system Abstract This work reports the influence of cationic charge on the magnetic response of hydrotalcites combined with magnetite nanoparticles. Fe 3 O 4 particles were synthesized by the co-precipitation method, and the resulting magnetic particles were dispersed. A mixture of Mg, Me (Ni, Co, Sr), and Al nitrates with stoichiometric Me 2+ /Me 3+ molar ratios of 2 and 3 was added. X-ray diffraction patterns revealed the presence of Fe 3 O 4 and hydrotalcite main phases and some secondary phases in the Sr 2+ -modified sample. The FTIR spectra provided information on the chemical structure of the materials and confirmed the presence of representative vibrational bands for the composite structure. N 2 adsorption–desorption isotherms analyzed by the BET method indicated remarkable porous properties for the synthesized samples, and higher surface areas of 160 and 145 m 2 /g were obtained for Fe 3 O 4 MgCoAl x = 3 and Fe 3 O 4 MgNiAl x = 3, respectively, with an increasing modifying cation ratio. The morphological characterization through SEM showed that a higher content of divalent cations favors the formation of larger particles, reaching a particle size of 786 nm for the sample with Ni 2+ addition. The magnetic measurements showed marked ferromagnetic behavior with variations in saturation and remanent magnetizations due to the influence of modifying cations. The analysis revealed a correlation between the cationic charge and the magnetic and structural properties of the hydrotalcites, suggesting effective control over the magnetic properties by manipulating the cationic charge in these composite materials. Physics ; Atomic physics ; Materials science Layered Double Hydroxides Synthesis and Applications ; Holomorphic and Operator Theory ; Mesoporous Materials and Catalysis
Authors: Yuying Yang | Chunyan Xing | Mengchu Feng | Yajiao Su | Qin Wang | Dianshen Pang | Xiao Feng | Yuanyuan Zhang
Source: Chinese Journal of Chemistry (article, 2025-08-12)
Field: Materials Science — Materials Chemistry

Covalent Organic Framework Aerogels with Tailored Microenvironments for Optimizing Enzyme Immobilization and Catalytic Performance <sup>†</sup> Comprehensive Summary Enzyme immobilization is a crucial step in advancing the industrial application of biocatalysts. Achieving effective enzyme encapsulation and precise tailoring of the enzyme microenvironment is essential for maximizing catalytic performance, yet remains a challenge. In this study, we synthesized hierarchically porous covalent organic framework (COF) aerogels, incorporating alkyl chains of varying lengths on the framework, to enable efficient enzyme immobilization, facilitate mass transfer and fine‐tune the microenvironment. The introduction of alkyl chains modulated enzyme‐COF interactions, inducing interfacial activation and promoting open enzyme conformation with more accessible active sites. Notably, increasing the length of alkyl chains strengthened enzyme‐COF interactions, and the enzyme immobilized on the COF aerogel with the longest alkyl chains (C6) showed the highest activity and stability, achieving more than twice the conversion of the free enzyme even at low temperatures (0–20 °C) and maintaining 90% of its initial conversion after thermal treatment at 80 °C. Furthermore, COF aerogel‐immobilized enzymes maintained high conversion in continuous‐flow reactions for 8 h, demonstrating operational robustness. The generality of this approach is validated with multiple lipases, showing enhanced activity. This study highlights the potential of functionalized COF aerogels as a versatile and robust platform for developing high‐performance biocatalysts. Chemistry ; Covalent bond ; Catalysis ; Covalent organic framework ; Nanotechnology ; Combinatorial chemistry ; Chemical engineering ; Organic chemistry Covalent Organic Framework Applications ; Nanomaterials for catalytic reactions ; Ionic liquids properties and applications
Authors: Alina Schmalz | Charles Gaston Eby | Celia Moss | Biswajit Bhattacharya | Franziska Emmerling
Source: Zeitschrift für anorganische und allgemeine Chemie (article, 2025-12-03)
Field: Chemistry — Inorganic Chemistry

Thermally Robust 1D Cu(I) Phosphonate Coordination Polymer Exhibiting Enhanced Proton Conductivity via Humidity‐Driven Pathways The development of thermally stable solid‐state proton conductors (SSPCs) is crucial for advancing energy‐conversion devices such as proton‐exchange membrane fuel cells (PEMFCs). In this work, we report the solvothermal synthesis and characterization of a novel, 1D Cu(I) coordination polymer, {Cu(ADP) 0.5 (BPY)} n ( BAM‐5 ), based on anthracenediylphosphonate (H 2 ADP) and 4,4′‐bipyridine (BPY). Single‐crystal X‐ray diffraction revealed that BAM‐5 crystallizes in the triclinic space group and shows a 1D ladder structure connected by the H 2 ADP and organic BPY linkers, which is assembled into a 2D layer via O−H···O hydrogen bonding interactions between uncoordinated oxygen and the O−H of the phosphonate group. Thermogravimetric and dynamic water sorption analysis demonstrated exceptional thermal robustness of BAM‐5 until 230°C and notable water affinity. Proton conductivity measurements found increasing proton conductive properties with increasing temperature and relative humidity. The latter is correlated with the material's water uptake since the structure itself does not contain any permanent lattice water molecules. A maximum proton conductivity of 6.6 × 10 −6 S cm −1 was found at 80°C and 98% RH. To the best of our knowledge, no dense, nonporous 1D coordination polymer without lattice or coordinated solvent molecules has shown comparable proton conductivity. The high activation energy suggests a combination of both, a Grotthuss‐type proton hopping through the hydrogen‐bonded framework, and a vehicular process, in which protons are carried along with absorbed water molecules. Thermogravimetric analysis ; Triclinic crystal system ; Conductivity ; Proton ; Phosphonate ; Chemiresistor ; Coordination polymer ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Fuel Cells and Related Materials ; Covalent Organic Framework Applications
Authors: J. F. Pan | Zhi Chen | Heng Wang | Xiaopeng Li | Xiujun Yu
Source: Science China Materials (article, 2025-08-29)
Field: Materials Science — Materials Chemistry

Terpyridine-lanthanide metallo-supramolecular polymers: structural diversity and emerging functional applications Terpyridine ; Materials science ; Lanthanide ; Supramolecular chemistry ; Diversity (politics) ; Supramolecular polymers ; Polymer ; Nanotechnology ; Polymer science ; Crystallography ; Crystal structure ; Organic chemistry ; Metallurgy ; Composite material ; Metal ; Political science ; Ion ; Chemistry Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes
Authors: Christian Cariño | Anna Proust | G. Guillemot | Ludivine K Bidi | Sébastien Blanchard | Elizabeth A. Gibson | Guillaume Izzet
Source: Chemical Science (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Unveiling photoinduced electron transfers in photosensitized polyoxometalates for solar energy conversion Artificial photosynthesis faces the challenge of developing visible-light-driven strategies for converting and storing solar energy in the form of fuels and high-value chemicals. In such an approach, selective fuel production often depends on the accumulation of multiple electrons at a catalytic site. However, this process is constrained by the rapid recombination of photogenerated charges and the inherently slow kinetics of multi-electron catalytic reactions, which hinder efficient charge buildup and utilization. Polyoxometalates (POMs), a tunable class of nanoscale metal oxides, have emerged as promising multi-electron acceptors due to their redox versatility and stability. Their electron storage capabilities make them attractive as both reservoirs and catalysts. In most cases, their UV-limited absorption necessitates pairing of the POM with visible-light-absorbing antennas. Advances in photosensitized POM derivatives-via electrostatic assembly, covalent bonding, or band-gap engineering-are herein detailed. Covalent hybrids, in particular, allow precise control over electron transfer. Still, a detailed understanding of photoinduced electron transfer kinetics remains limited. This perspective article explores the potential applications of POMs in solar fuel generation, emphasizing the need for kinetic insight to design efficient, visible-light-driven photocatalysts and photoelectrochemical devices. Solar fuel ; Photoinduced electron transfer ; Electron transfer ; Covalent bond ; Kinetics ; Solar energy conversion ; Redox ; Electron ; Solar energy Polyoxometalates: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Advanced Nanomaterials in Catalysis
Authors: Shin Takano | Markus Müllner
Source: Journal of Polymer Science (article, 2025-07-24)
Field: Chemistry — Organic Chemistry

Self‐Assembly of Stimuli‐Responsive, Thioether‐Based Bottlebrush Diblock Copolymers: Effect of Brush Side Chain Length ABSTRACT Linear–bottlebrush (LB) amphiphilic block copolymers offer a unique platform for designing self‐assembled nanostructures with tunable responsiveness. In this study, we synthesized a series of LB copolymers incorporating oxidation‐sensitive thioether groups in the hydrophobic bottlebrush segment, while systematically varying the brush side chain length under fixed backbone length and graft density. Self‐assembly in aqueous media led to spherical particles with distinct internal morphologies, including vesicular and densely packed structures, depending on brush architecture. Disassembly triggered by hydrogen peroxide revealed that shorter‐brush LBs with internally hollow structures disassembled more rapidly, whereas longer‐brush LBs exhibited slower disassembly due to densely packed cores and limited accessibility of oxidants. These results demonstrate that the internal morphology and oxidative responsiveness of LB assemblies can be finely tuned through architectural control, providing valuable design principles for developing stimuli‐responsive nanocarriers with programmable release profiles. Brush ; Copolymer ; Side chain ; Thioether ; Polymer chemistry ; Materials science ; Chain (unit) ; Chemistry ; Composite material ; Polymer ; Physics Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Block Copolymer Self-Assembly