jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Megan Phee | Warren W. Bowden | Stephen R. Euston | Stephen Hems | Nicholas Willoughby | Kelly L. Stewart
Source: Journal of Chemical Technology & Biotechnology (article, 2025-07-04)
Field: Materials Science — Biomaterials

Effect of protein hydrolysis on the emulsifying properties of collagen and its hydrolysates extracted from leather by‐products Abstract Background Proteins are widely used as emulsifiers due to their amphiphilic nature. Collagen has been of particular interest due to both its distinctive triple helical structure and unique amino acid arrangement, which gives it strength and stability within the water (hydrophilic) and oil (hydrophobic) domains of the emulsion. Hydrolysing collagen reveals varying amino acid side residues and alters its interaction with water/oil interfaces. This study aimed to explore how the degree of hydrolysation influences the protein's ability to act as an emulsifier, focusing on hydrolysed collagen derived from leather industry by‐products. Results The results revealed that the optimal degree of protein hydrolysis was dependent on both the environment and the length of stability required of the emulsion. In this work, the least hydrolysed collagen sample had the most versatile properties in both cool and hot conditions, however due to the larger molecular size of the protein it also had a lower stability when measured over an extended time. A more hydrolysed form of collagen formed a stable emulsion at cool temperatures, however the breakdown of the emulsion observed at 40 °C indicated the need for further protein purification. Further hydrolysing the collagen caused a breakdown of the liquid emulsions at 4 °C due to gel formation, however this form of collagen performed best when held at elevated temperatures. Conclusion The results of this study concluded that the degree of hydrolysation of collagen could be manipulated to produce a tailored emulsifying agent dependent on the desired commercial end‐use. © 2025 Scottish Leather Group and The Author(s). Journal of Chemical Technology and Biotechnology published by John Wiley &amp; Sons Ltd on behalf of Society of Chemical Industry (SCI). Hydrolysate ; Hydrolysis ; Chemistry ; Chromatography ; Pulp and paper industry ; Chemical engineering ; Food science ; Organic chemistry ; Engineering Collagen: Extraction and Characterization ; Protein Hydrolysis and Bioactive Peptides ; Meat and Animal Product Quality
Authors: Hui Miao | Sandy Schmidt
Source: Biochemistry (review, 2025-08-28)
Field: Chemistry — Inorganic Chemistry

Rieske Oxygenases: Powerful Models for Understanding Nature’s Orchestration of Electron Transfer and Oxidative Chemistry Rieske oxygenases (ROs) are a diverse family of nonheme iron enzymes that catalyze a wide array of oxidative transformations in both catabolic and biosynthetic pathways. Their catalytic repertoire spans dioxygenation, monooxygenation, oxidative <i>N</i>- and <i>O</i>-dealkylation, desaturation, sulfoxidation, C-C bond formation, <i>N</i>-oxygenation, and C-N bond cleavage─reactions that are often challenging to achieve selectively through synthetic methods. These diverse functions highlight the increasing importance of ROs in natural product biosynthesis and establish them as promising candidates for biocatalytic applications. Despite extensive study, our understanding of how ROs orchestrate these diverse reactions at the molecular level remains incomplete. In particular, the transient, dynamic nature of electron transfer events and the limited structural characterization of oxygen-bound intermediates hinder our understanding of how structural features govern electron transfer efficiency, O<sub>2</sub> activation, and the origins of their catalytic diversity. Recent findings challenge traditional views of the RO catalytic cycle and underscore the importance of integrating static structural data with dynamic studies of redox interactions. In this Perspective, we explore emerging insights into the structural and mechanistic basis of RO function. We focus on how the architecture of the oxygenase component shapes reactivity, electron transfer, and redox partner interactions. Finally, we discuss current limitations and future opportunities in harnessing ROs for biocatalysis, emphasizing the potential of engineering approaches─particularly the optimization of redox partner compatibility─to expand their functional utility. Electron transfer ; Redox ; Chemistry ; Biocatalysis ; Oxidative phosphorylation ; Bond cleavage ; Catalysis ; Combinatorial chemistry ; Biochemistry ; Reaction mechanism ; Photochemistry ; Organic chemistry Metal-Catalyzed Oxygenation Mechanisms ; Photosynthetic Processes and Mechanisms ; Enzyme-mediated dye degradation
Authors: Gülenay Tunç | Gizem Gümüşgöz Çelik | Betül Canımkurbey | Burcu Dedeoğlu | Ayşe Gül Gürek
Source: New Journal of Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

<i>p</i> -Phenyleneethynylene unit-conjugated dimeric zinc-phthalocyanines in bulk heterojunction solar cells: a comparative experimental and theoretical study Synthesis, photophysical properties and applicability of solubility-enhancing alkyl-chain-linked dimeric phthalocyanine derivatives as thin films in organic solar cells. Chemistry ; Conjugated system ; Zinc ; Phthalocyanine ; Heterojunction ; Photochemistry ; Polymer chemistry ; Organic chemistry ; Polymer ; Optoelectronics Porphyrin and Phthalocyanine Chemistry ; Organic Electronics and Photovoltaics ; TiO2 Photocatalysis and Solar Cells
Authors: Yuxing Wang | Meihuizi Jiang | Saif A. Haque | Sébastien Rochat
Source: Advanced Optical Materials (article, 2025-02-12)
Field: Chemistry — Physical and Theoretical Chemistry

Polymer of Intrinsic Microporosity as Light Absorber for Luminescent Solar Concentrators Abstract Luminescent solar concentrators (LSCs) hold the promise to make solar electricity more affordable by reducing the need for expensive photovoltaic cells and enabling less conventional forms of photovoltaics such as solar windows or roofs, and other architectural elements. Here the use of a polymer of intrinsic microporosity (PIM‐1) is demonstrated as an efficient light absorber in an LSC, combined with a red‐emitting dye. The prepared prototype LSC displays good internal efficiency (25.3%) and external efficiency (12.6%), and performance metrics that show promise for the use of polymers of intrinsic microporosity as light harvesters. This work significantly broadens the potential applications of PIMs beyond their more traditional functions in molecular separations and other adsorption‐based processes. Materials science ; Luminescence ; Polymer ; Optoelectronics ; Composite material Photochemistry and Electron Transfer Studies ; Lanthanide and Transition Metal Complexes ; Organic Light-Emitting Diodes Research
Authors: Federico Belnome | Péter Pál Fehér | András Stirling | Csongor Németh | Tamás Hergert | György M. Keserű | Péter Ábrányi‐Balogh
Source: Chemistry - A European Journal (article, 2025-09-27)
Field: Chemistry — Organic Chemistry

Versatile Palladium‐Catalyzed C‐H Arylation of Fluoroarenes with 2‐Chloropyridine Derivatives Direct C─H arylation of fluoroarenes with 2-halopyridines remains underexplored, due to the low reactivity of both partners and the reliance on harsh conditions or toxic solvents. Herein, we report a general and sustainable method for the C─H arylation of fluoroarenes with 2-chloropyridines using Pd/SPhos as a simple catalytic system in isopropyl acetate. The protocol employs inexpensive starting materials, shows broad functional group tolerance, and delivers a wide range of 2-(fluorinated aryl)pyridines in up to 90% yield. Substrate scope studies uncovered key substituent effects on both coupling partners, while Density Functional Theory (DFT)-supported mechanistic analysis rationalized the observed reactivity and chemoselectivity. This research advances sustainable and practical methodologies for the synthesis of complex fluorinated aromatic compounds with potential applications in materials science, agrochemistry, and medicinal chemistry. Reactivity (psychology) ; Isopropyl ; Substituent ; Functional group ; Scope (computer science) ; Density functional theory Catalytic C–H Functionalization Methods ; Fluorine in Organic Chemistry ; Catalytic Cross-Coupling Reactions
Authors: Naushad Ahmed | Rizwan Nabi | Xiaoguang Zhang | Donald J. Darensbourg
Source: CrystEngComm (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ladder-type 1D coordination polymer of Dy(<scp>iii</scp>): synthesis and investigation of magnetic behaviour 1D coordination polymer isolated via thermally induced tautomerism exhibited by the hydrazone ligand in a mononuclear Dy( iii ) complex. Extensive interchain hydrogen bonding suppresses its SMM behaviour. Polymer ; Type (biology) ; Coordination polymer ; Materials science ; Crystallography ; Nanotechnology ; Chemistry ; Composite material ; Geology Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Christian E. Stieger | Charlotte Völkel | Mathias Bertelsen | Michael Lisurek | Leander Crocker | Yun Seng Lim | Christiane Groneberg | Mathias Christmann | Han Sun | Christian P. R. Hackenberger
Source: ChemRxiv (preprint, 2025-05-22)
Field: Chemistry — Organic Chemistry

Modular Vinyl-Phosphonamidates for Cysteine Directed Protein Targeting Covalent inhibitors and chemical probes targeting ligandable cysteine residues have emerged as powerful tools in drug discovery and proteomics. In this study, we introduce vinyl-phosphonamidates (VPAs) as a novel class of latent cysteine electrophiles and assess their reactivity, selectivity, and potential for developing covalent inhibitors. Compared to well-established chloroacetamide and acrylamide electrophiles VPAs exhibit a significantly lower intrinsic reactivity towards the model thiol glutathione. Moreover, VPA-derived covalent fragments displayed only very limited non-specific reactivity in human cell lysate. Encouraged by these results, we developed VPA-functionalized derivatives of the FDA-approved covalent inhibitors Afatinib and Ibrutinib and evaluated their ability to engage the target protein by gel-based and mass spectrometry-based activity based protein profiling (ABPP). Compared to commonly employed Michael-acceptor based electrophilic groups, PA-functionalized drug ligands displayed significantly less off-targets while maintaining inhibitor efficiency. Furthermore, we leveraged the modular nature and accessibility of VPAs to develop a bifunctional proteolysis-targeting chimera (PROTAC) for targeted protein degradation. The demonstrated selectivity and modularity, as exemplified by the incorporation of various ligands on the phosphorus O-substituent, of the vinyl-phosphonamidate group as a cysteine-directed electrophile highlights its ability to expand the chemical space in the development of covalent inhibitors with a favourable proteome-wide reactivity profile. Modular design ; Cysteine ; Computer science ; Business ; Chemistry ; Biochemistry ; Programming language Click Chemistry and Applications ; HIV/AIDS drug development and treatment ; Biochemical and Molecular Research
Authors: Hajar Al‐Zarah | Vidya R. Singh | Karol Woloszyn | Lara Perren | Jules Klingsberg | Gregor Posnjak | Tim Liedl | Trinanjana Mandal | Chengde Mao | Joshua Hihath | Yoel P. Ohayon | James W. Canary | Satoshi Habuchi | Ruojie Sha | Simon Vecchioni
Source: Angewandte Chemie International Edition (article, 2025-11-02)
Field: Materials Science — Materials Chemistry

DNA Glass: Encasing Diffraction‐Quality, Mesoporous DNA Crystals in Architected Silica Self-assembling DNA crystals have emerged over the last two decades as an efficient and effective means of organizing matter at the nanoscale, but functionalization of these lattices has proved challenging as physiological buffer conditions are required to maintain structural integrity. In this manuscript, we demonstrate the silicification of mesoporous DNA crystals using sol-gel chemistry. We identify reaction conditions that produce the minimum coating thickness to confer environmental protection, and we subsequently measure this protective ability to various stressors, including heat, low ionic strength solution, organic solvents, and unprotected freezing. By soaking metal ions and dyes into the lattice after silica coating, we demonstrate that the crystals maintain their pores and that the major groove of the DNA can still be used as a sequence-specific template for chemical reactions. We image a library of different crystal motifs by electron microscopy, and we perform X-ray diffraction on these crystals, both with and without cryoprotection, to determine the structure of the DNA frame, underscoring the conserved molecular order after coating. We anticipate these mesoporous silica composites will find use in applications involving extreme, nonphysiological conditions and in experiments which utilize the DNA glass described here as a template for chemical reactions on the internal surface of architected materials. DNA ; Mesoporous material ; Ionic bonding ; Groove (engineering) ; Mesoporous silica ; Crystal (programming language) ; Surface modification ; Molecule ; Crystal structure Mesoporous Materials and Catalysis ; Advanced biosensing and bioanalysis techniques ; DNA and Nucleic Acid Chemistry
Authors: Xiao-Dong Yang | Haijing Lv | Yuxi Sun | Wenjing Dong | Yaping Wen | Xiaopeng Xuan | Jie Zhang
Source: Nature Communications (article, 2025-12-11)
Field: Chemistry — Inorganic Chemistry

Photothermal-assisted NH3 release in a bipyridinium-functionalized metal-organic framework adsorbent Widespread deployment of NH<sub>3</sub>-adsorbing MOF materials remains challenging due to the significant energy-penalty of regeneration. In this work, we address this limitation by integrating photothermal technologies into a bipyridinium-functionalized MOF matrix, enabling effective NH<sub>3</sub> desorption in a more eco-friendly and sustainable manner. This MOF adsorbent exhibits selective NH<sub>3</sub> capture via specific hydrogen bonding interactions, rendering it suitable for purifying effluent gases in industrial NH<sub>3</sub> synthesis. The NH<sub>3</sub> adsorption process is accompanied by an obvious color change due to the formation of bipyridinium radicals through an electron transfer reaction between NH<sub>3</sub> molecules and bipyridinium ligands. This distinctive property endows the MOF with favorable NH<sub>3</sub> detection capabilities. Furthermore, the colored MOF matrix functions as an exceptional photothermal medium under 808 nm laser irradiation, effectively facilitating the release of captured NH<sub>3</sub> molecules through light-triggered localized heating. Importantly, the synthesis of this MOF material can be scaled up to gram-level with minimal complexity using a straightforward one-pot reflux method, significantly enhancing its practical applicability. Adsorption ; Photothermal therapy ; Molecule ; Desorption ; Electron transfer ; Rendering (computer graphics) Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Gas Sensing Nanomaterials and Sensors
Authors: Sayan Maiti | Kui Tan | Shubo Geng | Amit Gupta | Peter E. VanNatta | Daqiang Yuan | Zhenjie Zhang | Gaurav Verma | Thamraa Alshahrani | Shengqian Ma
Source: Macromolecular Rapid Communications (article, 2025-07-02)
Field: Materials Science — Materials Chemistry

Interpenetrated Three‐Dimensional Covalent Organic Framework for Selective Adsorption of C<sub>2</sub>H<sub>2</sub> Over CO<sub>2</sub> and C<sub>2</sub>H<sub>4</sub> Selective separation of acetylene (C<sub>2</sub>H<sub>2</sub>) from carbon dioxide (CO<sub>2</sub>) and ethylene (C<sub>2</sub>H<sub>4</sub>) mixtures is critical in the petrochemical industry due to their similar size and physicochemical properties. Developing three-dimensional porous covalent organic frameworks (3D COFs) remains challenging in this context. In this work, a non-symmetrical 2-phenyl pyridine based three-dimensional covalent organic framework (COF-PPy) has been synthesized, which features a rare dia-C9 fold interpenetrated structure as suggested by computational simulations. COF-PPy exhibits high acetylene (C<sub>2</sub>H<sub>2</sub>) adsorption capacity (4.5 mmol g<sup>-1</sup> at 298 K), as well as excellent separation and purification performance for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> mixtures. The in situ-FTIR studies suggest that the multi-point interactions between nitrogen centers of COF-PPy and H-C≡CH (COF-Pyridine-N···H-C≡C-H and COF-imine-N··H-C≡CH) account for the higher affinities for C<sub>2</sub>H<sub>2</sub> over other gases. Furthermore, dynamic breakthrough studies reveal that COF-PPy can be employed as an effective adsorbent for the efficient separation of C<sub>2</sub>H<sub>2</sub> from CO<sub>2</sub> and C<sub>2</sub>H<sub>4</sub>. In addition, COF-PPy exhibits lower heat of adsorption (Q<sub>st</sub>) values with high adsorption capacity for C<sub>2</sub>H<sub>2</sub> as compared to previously reported C<sub>2</sub>H<sub>2</sub>-selective adsorbents, indicating less regeneration energy. Our work therefore provides some new avenues for the design and construction of 3D COFs for efficient C<sub>2</sub>H<sub>2</sub> capture and separation. Covalent organic framework ; Adsorption ; Acetylene ; Covalent bond ; Imine ; Materials science ; Context (archaeology) ; Pyridine ; Metal-organic framework ; Chemistry ; Physical chemistry ; Organic chemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport
Authors: Periyasamy Sivakumar | Palaniappan Subramanian | Palanisamy Kannan | J Minár | Hyun Jung
Source: International Journal of Energy Research (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ternary Transition Metal Oxides for Electrochemical Energy Storage: Synthesis, Advantages, Design Strategies, and Future Prospects Ternary transition metal oxides (TTMOs) have emerged as a new class of electrode materials for high‐performance energy storage systems, particularly supercapacitors (SCs) and hybrid battery‐capacitor devices. This comprehensive review aims to comprehensively survey recent advances in the design, synthesis, and analysis of TTMOs‐based nanostructures for SC electrodes. It begins by outlining the key concepts related to charge storage mechanisms in SC electrodes, electric double‐layer (EDL) capacitance, pseudocapacitive (PC), and battery‐type (BT) behavior, followed by a clarification of device configurations, including symmetric SC (SSC), asymmetric SC (ASC), and hybrid SC (HSC) devices. This review then examines the fabrication strategies for TTMOs, emphasizing the impact of synthetic approaches on material morphology, crystallinity, and electrochemical performance. Special attention is given to the structure‐property relationships that govern ion transport and charge storage dynamics in these materials. The influence of morphological features, including dimensionality, porosity, and hierarchical architecture, on electrochemical behavior is critically analyzed. A comparative evaluation of electrochemical matrices across various TTMO electrodes is presented, highlighting key performance and challenges. Ultimately, the review highlights emerging trends, current limitations, and future research directions that are poised to accelerate the development of next‐generation TTMO materials for advanced energy storage technologies. Supercapacitor ; Electrochemical energy storage ; Ternary operation ; Energy storage ; Electrochemistry ; Fabrication ; Transition metal Supercapacitor Materials and Fabrication ; Nanoporous metals and alloys ; Aerogels and thermal insulation
Authors: Hai Won Chang | Ruihan Wang | Y. Wang
Source: Chemistry - An Asian Journal (review, 2025-05-20)
Field: Chemistry — Organic Chemistry

Asymmetric Synthesis of Propargylic and Allenic Silanes, Germanes, and Stannanes Enantioenriched propargylic and allenic derivatives of silicon, germanium, and tin are versatile building blocks for stereoselective synthesis. Consequently, considerable efforts toward their efficient and selective synthesis have been made, both through classical approaches for chirality transfer and catalytic enantioselective strategies that employ the latest developments in transition metal catalysis, organocatalysis, and photoredox catalysis. In this review, we survey broadly applicable synthetic strategies and discuss the scope and mechanistic details for specific protocols that afford these compounds in a regio- and stereoselective manner. Silanes ; Enantioselective synthesis ; Stereoselectivity ; Chirality (physics) ; Catalysis ; Chemistry ; Organocatalysis ; Combinatorial chemistry ; Tin ; Organic chemistry ; Physics ; Silane ; Particle physics Synthetic Organic Chemistry Methods ; Catalytic Alkyne Reactions ; Catalytic Cross-Coupling Reactions
Authors: Ruairi O’Donnell | Marina Maddaloni | S. Scaglione | Nancy Artioli
Source: Catalysts (article, 2025-10-30)
Field: Materials Science — Materials Chemistry

Post-Synthesis Ion Beam Sputtering of Pt/CeO2–ZrO2 Catalysts: Correlating Surface Modifications with Light-Off Performance High-efficiency diesel and lean-burn engines produce lower exhaust temperatures, which can delay the activation of after-treatment catalysts such as Diesel Oxidation Catalysts (DOCs). This study explores ion beam sputtering as a post-synthesis strategy to enhance the low-temperature activity of commercial Pt/CeO2–ZrO2 catalysts. Low-energy ions (0.5–1.5 keV) were applied with controlled variations in treatment number, beam current, and exposure time to selectively generate oxygen vacancies and improve Pt dispersion. Structural and chemical effects were characterized using X-ray diffraction (XRD), BET surface area measurements, X-ray photoelectron spectroscopy (XPS) and extended X-ray absorption fine structure (EXAFS). Catalytic performance was evaluated through CO and C3H6 oxidation under conditions mimicking lean-burn engine exhaust. Increasing the number of ion treatments progressively lowered light-off temperatures, correlating with enhanced Pt–Ce3+ interactions and improved surface reducibility. Variations in beam current and exposure time further modulated these surface effects, confirming the tunable nature of the approach. The results demonstrate that ion beam sputtering selectively modifies the catalyst surface without altering the bulk structure, directly linking atomic-scale modifications to improved low-temperature activity. This strategy offers a promising route to overcome delayed light-off issues in modern high-efficiency engines, providing a precise, controllable method to optimize emission control catalysts. Sputtering ; X-ray photoelectron spectroscopy ; Catalysis ; Ion beam ; Diesel fuel ; Ion ; Beam (structure) ; Oxygen ; Analytical Chemistry (journal) Catalytic Processes in Materials Science ; Biodiesel Production and Applications ; Electrocatalysts for Energy Conversion