jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Min Pyeong Kim | Swatilekha Kayal | Chiwon Hwang | Jonghoon Bae | Hyunseok Kim | Dong Gyu Hwang | Min Ho Jeon | Jeong Kon Seo | Dowon Ahn | Jung-Hun Lee | Sangwon Seo | Joong‐Hyun Chun | Youngchang Yu | Sung You Hong
Source: Nature Communications (article, 2024-04-20)
Field: Chemistry — Organic Chemistry

Iterative SuFEx approach for sequence-regulated oligosulfates and its extension to periodic copolymers The synthesis of sequence-regulated oligosulfates has not yet been established due to the difficulties in precise reactivity control. In this work, we report an example of a multi-directional divergent iterative method to furnish oligosulfates based on a chain homologation approach, in which the fluorosulfate unit is regenerated. The oligosulfate sequences are determined by high resolution mass spectrometry of the hydrolyzed fragments, and polysulfate periodic copolymers are synthesized by using oligomeric bisfluorosulfates in a bi-directional fashion. The synthetic utility of this iterative ligation is demonstrated by preparing crosslinked network polymers as synthetic adhesive materials. Copolymer ; Sequence (biology) ; Extension (predicate logic) ; Hydrolysis ; Chain (unit) ; Polymer ; Reactivity (psychology) ; Iterative method ; Materials science ; Combinatorial chemistry ; Mass spectrometry ; Computer science ; Chemistry ; Algorithm ; Organic chemistry ; Physics ; Biochemistry ; Chromatography Synthetic Organic Chemistry Methods ; Chemical Synthesis and Reactions ; Polyoxometalates: Synthesis and Applications
Authors: A. N. Upadhyay | Farbod Alimohammadi | Rouzbeh Tehrani
Source: ACS Omega (article, 2024-07-24)
Field: Materials Science — Biomaterials

Engineering Porosity-Tuned Chitosan Beads: Balancing Porosity, Kinetics, and Mechanical Integrity Chitosan, a cationic natural polysaccharide derived from the deacetylation of chitin, is known for its solubility in diluted acidic solutions, biodegradability, biocompatibility, and nontoxicity. This study introduces three innovative methods for preparing various types of porous chitosan beads: solvent extraction, surfactant extraction, and substance decomposition. These methods involve the integration and subsequent extraction or decomposition of materials during the synthesis process, eliminating the need for additional steps. We used state-of-the-art characterization techniques to analyze and evaluate the chemical and physical properties of the beads, such as Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray diffraction (XRD), and three-dimensional (3D) computed tomography (CT) scanning. The 3D CT scans visualized and measured the porosity of different bead types, ranging from 68.4% to 39.3%. This study also evaluated the mechanical properties of the particle beads under compressive forces in both wet and dry conditions, highlighting the influence of porosity on their mechanical integrity and compression pressure behavior. The adsorptive properties of these chitosan beads were studied using methylene blue as a model pollutant, emphasizing the importance of balancing porous structure, surface area, kinetics, and structural integrity. This study paves the way for the development of environmentally sustainable polymeric beads, highlighting the crucial need to balance porosity, surface area, and structural integrity to optimize their effectiveness in real-world applications. Porosity ; Materials science ; Chitosan ; Chemical engineering ; Scanning electron microscope ; Fourier transform infrared spectroscopy ; Extraction (chemistry) ; Biocompatibility ; Composite material ; Chromatography ; Chemistry Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications
Authors: Xinkang Liu | Yasong Zhao | Jiang Du | Dan Wang
Source: Science China Materials (article, 2024-02-04)
Field: Materials Science — Materials Chemistry

Recent progress and challenges in crystalline graphdiyne Crystallinity ; Materials science ; Characterization (materials science) ; Carbon fibers ; Nanotechnology ; Chemical engineering ; Catalysis ; Desalination ; Chemistry ; Composite material ; Organic chemistry Graphene research and applications ; Advanced Photocatalysis Techniques ; Covalent Organic Framework Applications
Authors: Keigo Kamata | Takeshi Aihara | Keiju Wachi
Source: Chemical Communications (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and catalytic application of nanostructured metal oxides and phosphates The design and development of new high-performance catalysts is one of the most important and challenging issues to achieve sustainable chemical and energy production. This Feature Article describes the synthesis of nanostructured metal oxides and phosphates mainly based on earth-abundant metals and their thermocatalytic application to selective oxidation and acid-base reactions. A simple and versatile methodology for the control of nanostructures based on crystalline complex oxides and phosphates with diverse structures and compositions is proposed as another approach to catalyst design. Herein, two unique and verstile methods for the synthesis of metal oxide and phosphate nanostructures are introduced; an amino acid-aided method for metal oxides and phosphates and a precursor crystallization method for porous manganese oxides. Nanomaterials based on perovskite oxides, manganese oxides, and metal phosphates can function as effective heterogeneous catalysts for selective aerobic oxidation, biomass conversion, direct methane conversion, one-pot synthesis, acid-base reactions, and water electrolysis. Furthermore, the structure-activity relationship is clarified based on experimental and computational approaches, and the influence of oxygen vacancy formation, concerted activation of molecules, and the redox/acid-base properties of the outermost surface are discussed. The proposed methodology for nanostructure control would be useful not only for the design and understanding of the complexity of metal oxide catalysts, but also for the development of innovative catalysts. Catalysis ; Metal ; Materials science ; Chemistry ; Inorganic chemistry ; Chemical engineering ; Metallurgy ; Organic chemistry Polyoxometalates: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Bone Tissue Engineering Materials
Authors: Xingjie Wang | Haomiao Xie | Debabrata Sengupta | Fanrui Sha | Ken‐ichi Otake | Yongwei Chen | Karam B. Idrees | Kent O. Kirlikovali | Florencia A. Son | Meng Wang | Junli Ren | Justin M. Notestein | Susumu Kitagawa | Omar K. Farha
Source: Journal of the American Chemical Society (article, 2024-05-25)
Field: Chemistry — Inorganic Chemistry

Precise Modulation of CO<sub>2</sub> Sorption in Ti<sub>8</sub>Ce<sub>2</sub>–Oxo Clusters: Elucidating Lewis Acidity of the Ce Metal Sites and Structural Flexibility Investigating the structure-property correlation in porous materials is a fundamental and consistent focus in various scientific domains, especially within sorption research. Metal oxide clusters with capping ligands, characterized by intrinsic cavities formed through specific solid-state packing, demonstrate significant potential as versatile platforms for sorption investigations due to their precisely tunable atomic structures and inherent long-range order. This study presents a series of Ti<sub>8</sub>Ce<sub>2</sub>-oxo clusters with subtle variations in coordinated linkers and explores their sorption behavior. Notably, Ti<sub>8</sub>Ce<sub>2</sub>-BA (BA denotes benzoic acid) manifests a distinctive two-step profile during the CO<sub>2</sub> adsorption, accompanied by a hysteresis loop. This observation marks a new instance within the metal oxide cluster field. Of intrigue, the presence of unsaturated Ce(IV) sites was found to be correlated with the stepped sorption property. Moreover, the introduction of an electrophilic fluorine atom, positioned ortho or para to the benzoic acid, facilitated precise control over gate pressure and stepped sorption quantities. Advanced in situ techniques systematically unraveled the underlying mechanism behind this unique sorption behavior. The findings elucidate that robust Lewis base-acid interactions are established between the CO<sub>2</sub> molecules and Ce ions, consequently altering the conformation of coordinated linkers. Conversely, the F atoms primarily contribute to gate pressure variation by influencing the Lewis acidity of the Ce sites. This research advances the understanding in fabricating metal-oxo clusters with structural flexibility and provides profound insights into their host-guest interaction motifs. These insights hold substantial promise across diverse fields and offer valuable guidance for future adsorbent designs grounded in fundamental theories of structure-property relationships. Chemistry ; Sorption ; Oxide ; Metal ; Flexibility (engineering) ; Solid-state ; Inorganic chemistry ; Nanotechnology ; Physical chemistry ; Adsorption ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Nanocluster Synthesis and Applications
Authors: Yan Zhu | Zhaopeng Yu | Ruofan Liu | Yusun Jin | Qisong Shi | Yibo Wu
Source: Journal of Polymer Science (article, 2024-03-29)
Field: Chemistry — Organic Chemistry

Recent advances in green cationic polymerization Abstract Traditional living/controlled cationic polymerization provides a simple synthetic route for the preparation of various polymers with set molecular weight, narrow molecular weight distribution, and clear structure. Nowadays, under the requirements of sustainable development, it is very important to explore the green chemical technology in depth. This review offers an overview of initiation systems, reaction media, polymerization techniques, and monomers, with the aim of summarizing environmentally friendly methods utilized in the field of cationic polymerization over the past 15 years. It covers a variety of directions from traditional initiation systems to green initiators, from corrosive solvents to environmentally friendly solvents, from drop initiation to external stimulation initiation, from petroleum fractionated monomers to bio‐based monomers. These methods and Techniques aim to develop advanced high‐quality polymer products using cationic polymerization, and achieving efficient energy savings and reducing emissions. The ongoing exploration of green‐controlled cationic polymerization holds promise for opening up new avenues and novel technology for high‐performance polyolefin materials. Cationic polymerization ; Polymerization ; Polymer science ; Chemistry ; Polymer chemistry ; Organic chemistry ; Polymer Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties
Authors: Luca Mastroianni | Vincenzo Russo | Kari Eränen | Martino Di Serio | Dmitry Yu. Murzin | Tapio Salmi
Source: Catalysis Science & Technology (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Towards unconstrained catalyst shaping: high accuracy DLP printing of porous γ-Al<sub>2</sub>O<sub>3</sub>-based catalysts The potential of the high resolution DLP printing was exploited to create a new procedure for the design, manufacturing, and application of catalyst structures with a high geometrical complexity. Catalysis ; Porosity ; Materials science ; Chemical engineering ; Nanotechnology ; Chemistry ; Composite material ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation ; Catalysis and Hydrodesulfurization Studies
Authors: Gazi A. K. M. Rafiqul Bari | Jae-Ho Jeong
Source: Gels (review, 2024-01-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Comprehensive Insights and Advancements in Gel Catalysts for Electrochemical Energy Conversion Continuous worldwide demands for more clean energy urge researchers and engineers to seek various energy applications, including electrocatalytic processes. Traditional energy-active materials, when combined with conducting materials and non-active polymeric materials, inadvertently leading to reduced interaction between their active and conducting components. This results in a drop in active catalytic sites, sluggish kinetics, and compromised mass and electronic transport properties. Furthermore, interaction between these materials could increase degradation products, impeding the efficiency of the catalytic process. Gels appears to be promising candidates to solve these challenges due to their larger specific surface area, three-dimensional hierarchical accommodative porous frameworks for active particles, self-catalytic properties, tunable electronic and electrochemical properties, as well as their inherent stability and cost-effectiveness. This review delves into the strategic design of catalytic gel materials, focusing on their potential in advanced energy conversion and storage technologies. Specific attention is given to catalytic gel material design strategies, exploring fundamental catalytic approaches for energy conversion processes such as the CO<sub>2</sub> reduction reaction (CO<sub>2</sub>RR), oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and more. This comprehensive review not only addresses current developments but also outlines future research strategies and challenges in the field. Moreover, it provides guidance on overcoming these challenges, ensuring a holistic understanding of catalytic gel materials and their role in advancing energy conversion and storage technologies. Nanotechnology ; Catalysis ; Materials science ; Energy transformation ; Electrochemical energy conversion ; Process engineering ; Electrochemistry ; Efficient energy use ; Energy storage ; Biochemical engineering ; Chemistry ; Engineering ; Electrode Supercapacitor Materials and Fabrication ; CO2 Reduction Techniques and Catalysts ; Advanced battery technologies research
Authors: Nicole Balasco | Davide Altamura | Pasqualina Liana Scognamiglio | Teresa Sibillano | Cinzia Giannini | Giancarlo Morelli | Luigi Vitagliano | Antonella Accardo | Carlo Diaferia
Source: Langmuir (article, 2024-01-04)
Field: Materials Science — Biomaterials

Self-Assembled Materials Based on Fully Aromatic Peptides: The Impact of Tryptophan, Tyrosine, and Dopa Residues Peptides are able to self-organize in structural elements including cross-β structures. Taking advantage of this tendency, in the last decades, peptides have been scrutinized as molecular elements for the development of multivalent supramolecular architectures. In this context, different classes of peptides, also with completely aromatic sequences, were proposed. Our previous studies highlighted that the (FY)3 peptide, which alternates hydrophobic phenylalanine and more hydrophilic tyrosine residues, is able to self-assemble, thanks to the formation of both polar and apolar interfaces. It was observed that the replacement of Phe and Tyr residues with other noncoded aromatic amino acids like 2-naphthylalanine (Nal) and Dopa affects the interactions among peptides with consequences on the supramolecular organization. Herein, we have investigated the self-assembling behavior of two novel (FY)3 analogues with Trp and Dopa residues in place of the Phe and Tyr ones, respectively. Additionally, PEGylation of the N-terminus was analyzed too. The supramolecular organization, morphology, and capability to gel were evaluated using complementary techniques, including fluorescence, Fourier transform infrared spectroscopy, and scanning electron microscopy. Structural periodicities along and perpendicular to the fiber axis were detected by grazing incidence wide-angle X-ray scattering. Finally, molecular dynamics studies provided interesting insights into the atomic structure of the cross-β that constitutes the basic motif of the assemblies formed by these novel peptide systems. Chemistry ; Aromatic amino acids ; Supramolecular chemistry ; Peptide ; Tryptophan ; Tyrosine ; Aromaticity ; Context (archaeology) ; Self-assembly ; Fluorescence ; Amino acid ; Stereochemistry ; Crystallography ; Molecule ; Organic chemistry ; Biochemistry Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Luminescence and Fluorescent Materials
Authors: Ruiling Du | Lee A. Fielding
Source: Macromolecules (article, 2024-04-08)
Field: Chemistry — Organic Chemistry

pH-Responsive Nanogels Generated by Polymerization-Induced Self-Assembly of a Succinate-Functional Monomer Colloidal nanogels formed from a pH-responsive poly(succinate)-functional core and a poly(sulfonate)-functional corona were prepared via a previously unreported reversible addition-fragmentation chain-transfer (RAFT)-mediated aqueous emulsion polymerization-induced self-assembly (PISA) route. Specifically, a poly(potassium 3-sulfopropyl methacrylate) (PKSPMA<sub>50</sub>) macromolecular chain-transfer agent (macro-CTA) was synthesized via RAFT solution polymerization followed by chain-extension with a hydrophobic, carboxylic acid-functional, 2-(methacryloyloxy) ethyl succinate (MES) monomer at pH 2. Colloidal nanoparticles with tunable diameters between 66 to 150 nm, depending on the core composition, and narrow particle size distributions were obtained at 20% w/w solids. Well-defined pH-responsive nanogels that swell on increasing the pH could be prepared even without the addition of a cross-linking comonomer, and introducing an additional cross-linker to the core led to smaller nanogels with lower swelling ratios. These nanogels could reversibly change in size on cycling the pH between acidic and basic conditions and remain colloidally stable over a wide pH range and at 70 °C. Monomer ; Polymerization ; Polymer chemistry ; Chemistry ; Self-assembly ; Chemical engineering ; Polymer ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Hydrogels: synthesis, properties, applications ; Supramolecular Self-Assembly in Materials
Authors: Emmanuel Oheix | T. Jean Daou | Laurent Pieuchot
Source: Materials Horizons (review, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

Antimicrobial zeolites and metal–organic frameworks The current surge in antibiotic resistance and the emergence of pandemics have created an urgent need for novel antimicrobial strategies. The controlled release of antimicrobial active principles remains the most viable strategy to date, and transition metal ions currently represent the main alternative to antibiotics. In this review, we explore the potential of two types of materials, zeolites and metal-organic frameworks (MOFs), for the controlled release of antimicrobial active principles, notably transition metal ions. These materials have unique crystalline microporous structures that act as reservoirs, enabling sustained bactericidal effects in various applications such as coatings, packaging, and medical devices. However, there are currently no convenient and standardised methods for evaluating their metal ion release and antimicrobial efficacy. This work discusses analytical techniques and the proposed mechanisms of action while highlighting recent advances in film, membrane, and coating technologies. By addressing the current limitations, microporous materials can revolutionise antimicrobial approaches, offering enhanced effectiveness and long-term sustainability. Antimicrobial ; Metal-organic framework ; Metal ; Nanotechnology ; Materials science ; Chemical engineering ; Chemistry ; Organic chemistry ; Metallurgy ; Adsorption ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Adsorption and biosorption for pollutant removal
Authors: Malcolm A. Halcrow
Source: Dalton Transactions (review, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Mix and match – controlling the functionality of spin-crossover materials through solid solutions and molecular alloys The influence of dopant molecules on the structure and functionality of spin-crossover (SCO) materials is surveyed. Two aspects of the topic are well established. Firstly, isomorphous inert metal ion dopants in SCO lattices are a useful probe of the energetics of SCO processes. Secondly, molecular alloys of iron(II)/triazole coordination polymers containing mixtures of ligands were used to tune their spin-transitions towards room temperature. More recent examples of these and related materials are discussed that reveal new insights into these questions. Complexes which are not isomorphous can also be co-crystallised, either as solid solutions of the precursor molecules or as a random distribution of homo- and hetero-leptic centres in a molecular alloy. This could be a powerful method to manipulate SCO functionality. Published molecular alloys show different SCO behaviours, which may or may not include allosteric switching of their chemically distinct metal sites. Spin crossover ; Materials science ; Crossover ; Solid solution ; Nanotechnology ; Chemical physics ; Crystallography ; Computer science ; Metallurgy ; Chemistry ; Artificial intelligence Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Electrocatalysts for Energy Conversion
Authors: Alexander G. Medvedev | Pavel A. Egorov | Alexey A. Mikhaylov | Evgeny S. Belyaev | Gayane A. Kirakosyan | Yulia G. Gorbunova | Oleg A. Filippov | Natalia V. Belkova | Elena S. Shubina | М. Н. Бреховских | Anna A. Kirsanova | Maria V. Babak | Ovadia Lev | Petr V. Prikhodchenko
Source: Nature Communications (article, 2024-07-09)
Field: Chemistry — Physical and Theoretical Chemistry

Synergism of primary and secondary interactions in a crystalline hydrogen peroxide complex with tin Despite the significance of H<sub>2</sub>O<sub>2</sub>-metal adducts in catalysis, materials science and biotechnology, the nature of the interactions between H<sub>2</sub>O<sub>2</sub> and metal cations remains elusive and debatable. This is primarily due to the extremely weak coordinating ability of H<sub>2</sub>O<sub>2</sub>, which poses challenges in characterizing and understanding the specific nature of these interactions. Herein, we present an approach to obtain H<sub>2</sub>O<sub>2</sub>-metal complexes that employs neat H<sub>2</sub>O<sub>2</sub> as both solvent and ligand. SnCl<sub>4</sub> effectively binds H<sub>2</sub>O<sub>2</sub>, forming a SnCl<sub>4</sub>(H<sub>2</sub>O<sub>2</sub>)<sub>2</sub> complex, as confirmed by <sup>119</sup>Sn and <sup>17</sup>O NMR spectroscopy. Crystalline adducts, SnCl<sub>4</sub>(H<sub>2</sub>O<sub>2</sub>)<sub>2</sub>·H<sub>2</sub>O<sub>2</sub>·18-crown-6 and 2[SnCl<sub>4</sub>(H<sub>2</sub>O<sub>2</sub>)(H<sub>2</sub>O)]·18-crown-6, are isolated and characterized by X-ray diffraction, providing the complete characterization of the hydrogen bonding of H<sub>2</sub>O<sub>2</sub> ligands including geometric parameters and energy values. DFT analysis reveals the synergy between a coordinative bond of H<sub>2</sub>O<sub>2</sub> with metal cation and its hydrogen bonding with a second coordination sphere. This synergism of primary and secondary interactions might be a key to understanding H<sub>2</sub>O<sub>2</sub> reactivity in biological systems. Reactivity (psychology) ; Hydrogen bond ; Coordination sphere ; Adduct ; Chemistry ; Metal ; Ligand (biochemistry) ; Tin ; Hydrogen peroxide ; Crystallography ; Solvent ; Catalysis ; Stereochemistry ; Crystal structure ; Molecule ; Organic chemistry Crystallography and molecular interactions ; Metal complexes synthesis and properties ; Organometallic Compounds Synthesis and Characterization