jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hailong Ma | Shiwen Zhang | Hui Gao | Dongsheng Wen
Source: Catalysts (article, 2025-08-20)
Field: Chemistry — Inorganic Chemistry

Metal-Modified Zeolites for Catalytic Dehydration of Bioethanol to Ethylene: Mechanisms, Preparation, and Performance With increasing demands for sustainable chemical production, bioethanol-derived ethylene offers a promising alternative to petroleum-based routes. This review examines recent advances in metal-modified zeolites for the catalytic conversion of bioethanol to ethylene. The fundamental reaction mechanisms and preparation methodologies are systematically analysed. Various metal modification strategies are discussed alongside their effects on catalyst properties. The influence of zeolite framework characteristics, metal species selection, and reaction parameters on catalytic performance are evaluated. Detailed attention is given to deactivation mechanisms and strategies for catalyst regeneration and lifetime extension. The analysis provides insights into rational catalyst design for sustainable ethylene production, highlighting opportunities for future research in enhancing catalyst stability and efficiency. Dehydration ; Ethylene ; Catalysis ; Chemistry ; Materials science ; Chemical engineering ; Organic chemistry ; Engineering Zeolite Catalysis and Synthesis ; Catalysis for Biomass Conversion ; Catalysis and Hydrodesulfurization Studies
Authors: Neeraj Gupta | Abhishek Soni | Sahil Kumar | Mamta Shandilya | Elisabett Inico | Ilaria Barlocco | Giovanni Di Liberto | Alberto Villa
Source: Materials Chemistry Frontiers (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Direct styrene hydrogenation on a metal-free boron–nitrogen doped carbon catalyst Direct styrene hydrogenation with isopropanol on a metal-free catalyst. Boron ; Catalysis ; Styrene ; Materials science ; Nitrogen ; Carbon fibers ; Metal ; Doping ; Inorganic chemistry ; Organic chemistry ; Chemistry ; Copolymer ; Metallurgy ; Composite number ; Polymer ; Composite material Hydrogen Storage and Materials ; Asymmetric Hydrogenation and Catalysis ; Catalysis and Hydrodesulfurization Studies
Authors: Yang Ye | Di Wu | Ying Sun | Dechen Wang | Yuanhang Wang | Na Wang | Hongxun Hao | Liang Li | Pancě Naumov | Chuang Xie
Source: Nature Communications (article, 2025-07-19)
Field: Materials Science — Materials Chemistry

A solid-solution approach for controllable photomechanical crystalline materials Solid solutions are a unique and elegant crystal engineering strategy to control the properties of crystalline materials, and the tunability of physicochemical properties it provides has a wide scope of applications. In this research, we bring this strategy to the realm of smart molecular crystals and explore solid solutions of organic photomechanical crystals to create flexible structures that exhibit a gradient of predetermined emissive, mechanical, and reactive properties. Specifically, we demonstrate that fluorescence, mechanical properties, and solid-state photoreactivity in a binary mixed crystal system of 9-anthraldehyde (9AA) and 9-methylanthracene (9MA) can be simultaneously and precisely tuned simply by changing the composition. The statistical distribution of the two components in the solid solution was utilized to prepare a heterodimer by a cross-reaction between the molecules of the two components. The effect of doping on the rate and the extent of the solid-state photoreaction further enables modulation of the photomechanical bending of the crystals. This study shows that the solid solution method enables access to smart adaptive crystals that can perform specific solid-state photoreactions, exhibit a photomechanical response, and support flexible organic devices that cannot be achieved through conventional chemical modification strategies. Materials science ; Computer science ; Nanotechnology Photochromic and Fluorescence Chemistry ; Advanced Materials and Mechanics ; Silicone and Siloxane Chemistry
Authors: Erfan Oftadeh | Max Baumann | Marco Ortiz | Kirubel Mamo | Eduam O. Boeira | Esveidy Oceguera Nava | Monica S. Lopez Lemus | Shili Fang | Donald H. Aue | Bruce H. Lipshutz
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

A new P3N ligand for Pd-catalyzed cross-couplings in water A new "P3N" ligand, (<i>n</i>-Bu<sub>2</sub>N)<sub>3</sub>P, derived from PCl<sub>3</sub> and three equivalents of <i>n</i>-Bu<sub>2</sub>NH is reported. When complexed to palladium, it readily participates in homogeneous (copper-free) Heck-Cassar-Sonogashira and Suzuki-Miyaura couplings. Reliance on relatively low loadings of Pd is documented under aqueous micellar conditions; <i>i.e.</i>, in water containing micelles using the well-established and inexpensive anionic surfactant SDS. Comparisons are shown with several commonly used, representative ligands which, by contrast, are made typically in a number of steps that involve environmentally egregious conditions, and can typically be quite expensive. These issues can now be avoided for these very important reactions using this P3N ligand. Quantum calculations showed the conformational, steric, and electronic nature of P3N ligands and the energetics of their binding to Pd. Catalysis ; Ligand (biochemistry) ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Receptor ; Biochemistry Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis
Authors: Xue Zhang | Shengbin Cao | Xiong-Fei WU | Lixia Hu
Source: Nanomaterials and Nanotechnology (article, 2025-02-26)
Field: Materials Science — Materials Chemistry

Overview on Comparison of Four Preparation Methods and Physical Properties of Graphene Graphene is a single layer of carbon atoms arranged in a hexagonal lattice structure, forming a two‐dimensional (2D) material with exceptional mechanical, electrical, and thermal properties. Graphene has emerged as one of the most promising nanomaterials because of its unique combination of exceptional properties: the thinnest and the strongest materials, an excellent conductor of electricity, and optically transparent as well. This article provides an overview of graphene materials regarding its basic structure, preparation methods, and unique properties. The four commonly used methods for preparing graphene are compared, and the advantages and disadvantages of each are expounded and briefly summarized. And the basic physical properties of graphene materials obtained by each method, namely, in mechanics, electricity, thermal, and optics, were elaborated in detail, and the related applications of graphene prospects are further discussed. Graphene ; Materials science ; Nanotechnology Graphene research and applications ; Graphene and Nanomaterials Applications ; Advancements in Battery Materials
Authors: Darakshan Parveen | Rahul Kumar Yadav | Felipe Fantuzzi | Dipak Kumar Roy
Source: ACS Omega (article, 2025-01-10)
Field: Chemistry — Organic Chemistry

Bis(diiminate)-Supported Bimetallic Complexes: Tri-Coordinated Zinc for Nitrile and Carbodiimide Hydroboration We report the synthesis and characterization of bis(diiminate)-supported tricoordinated zinc complexes (<b>1-4</b>) and demonstrate the catalytic activity of one representative compound in the hydroboration of nitriles and carbodiimides using pinacolborane (HBpin). Experimental and theoretical studies were performed to elucidate the reaction mechanism. Our findings indicate that the hydroboration reaction initiates with the formation of a tricoordinated zinc hydride intermediate, followed by the subsequent attack of nitriles and carbodiimides. This leads to the formation of a four-membered metallacycle before the release of the diborylated amine. This work provides access to new types of zinc complexes and highlights its effectiveness in the hydroboration of nitriles and carbodiimides, offering a milder alternative to existing reduction methods. Hydroboration ; Carbodiimide ; Chemistry ; Zinc ; Nitrile ; Bimetallic strip ; Hydride ; Amine gas treating ; Combinatorial chemistry ; Medicinal chemistry ; Catalysis ; Organic chemistry ; Metal Organoboron and organosilicon chemistry ; Asymmetric Hydrogenation and Catalysis ; Organometallic Complex Synthesis and Catalysis
Authors: Sik Yoon | Boon‐Huat Bay | Ken Matsumoto
Source: Molecules (review, 2025-04-08)
Field: Materials Science — Biomaterials

Harnessing Microalgae as Sustainable Cell Factories for Polyamine-Based Nanosilica for Biomedical Applications Microalgae are microscopic unicellular organisms that inhabit marine, freshwater, and moist terrestrial ecosystems. The vast number and diversity of microalgal species provide a significant reservoir of biologically active compounds, highly promising for biomedical applications. Diatoms are unicellular eukaryotic algae belonging to the class Bacillariophyceae. They possess intricately structured silica-based cell walls, which contain long-chain polyamines that play important roles in the formation of silica. Long-chain polyamines are uncommon polyamines found only in organisms that produce biosilica. Diatomite, which is a marine sediment of the remains of the silica skeleton of diatoms, could be an abundant source of biogenic silica that can easily be converted to silica particles. This concise review focuses on the biofabrication of polyamine-based nanosilica from diatoms and highlights the possibility of utilizing diatom biosilica as a nanocarrier for drug and siRNA delivery, bioimaging, and bone tissue engineering. The challenges that may affect diatom production, including environmental stresses and climate change, are discussed together with the prospect of increasing diatom-based biosilica production with the desired nanostructures via genetic manipulation. Diatom ; Frustule ; Algae ; Biogenic silica ; Polyamine ; Sustainable production ; Chemistry ; Nanotechnology ; Biology ; Botany ; Materials science ; Biochemistry Diatoms and Algae Research ; Protist diversity and phylogeny ; Algal biology and biofuel production
Authors: Yifan Liu | Huihui He | Lei Gao | Rong‐Ran Liang | Ji Li | Jinyi Huang | Ya Yin | Yuxuan Meng | Yu Zhong | Rengan Luo | Liangliang Zhang | Hong‐Cai Zhou | Shuai Yuan
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Chemical and mechanical modifications of flexible metal–organic frameworks for enhancing photocatalysis Postsynthetic modification (PSM) has been widely employed to enhance the functionality of metal-organic frameworks (MOFs) for applications such as gas storage, light harvesting, and catalysis. However, the critical role of framework flexibility in enabling diverse modification pathways and influencing framework properties remains underexplored. In this work, we demonstrate that flexible MOFs offer unique advantages for PSM, using the flexible PCN-128 as a platform for both chemical and mechanical modifications to enhance photocatalytic CO<sub>2</sub> reduction activity. Mechanical force induces piezochromic behavior, while sequential postsynthetic annulation reactions extend the π-conjugation of aromatic ligands within PCN-128, both modulating the energy band positions and enhancing visible light absorption. Single-crystal-to-single-crystal transformations were realized throughout the PSM process, offering valuable insights into the transformation process and structure-property relationships. Furthermore, metallo-phthalocyanine-based ligands (M-TcPC, M = Fe, Co, Ni) were introduced as catalytic sites for CO<sub>2</sub> reduction <i>via</i> PSM strategies. By optimizing the ratio of photosensitizers to catalytic sites, the modified catalysts achieved a remarkable CO<sub>2</sub> reduction rate of 838 μmol g<sup>-1</sup> h<sup>-1</sup> under visible light irradiation. This study highlights the untapped potential of flexible MOFs in applying postsynthetic modification strategies to develop advanced photocatalysts for sustainable energy conversion. Photocatalysis ; Metal-organic framework ; Nanotechnology ; Metal ; Materials science ; Chemistry ; Business ; Catalysis ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Chemical Synthesis and Reactions
Authors: Samuel M. Shabangu | Andrey A. Bezrukov | Alan C. Eaby | Sousa Javan Nikkhah | Shaza Darwish | Varvara I. Nikolayenko | Debobroto Sensharma | Shi‐Qiang Wang | Matthias Vandichel | Michael J. Zaworotko
Source: ACS Materials Letters (article, 2025-01-02)
Field: Chemistry — Inorganic Chemistry

One Step Further: A Flexible Metal–Organic Framework that Functions as a Dual-Purpose Water Vapor Sorbent We report a water induced phase transformation in a flexible MOF, [Zn<sub>3</sub>(OH)<sub>2</sub>(btca)<sub>2</sub>] (Hbtca = 1H-benzotriazole-5-carboxylic acid), that exhibits a two-step water vapor sorption isotherm associated with water-induced phase transformations. Variable temperature X-ray diffraction studies revealed that the dehydrated phase, LP-β, is almost isostructural with the previously reported solvated phase, LP-α. LP-β reversibly transformed to a partially hydrated phase, NP, at 5% RH, and a fully hydrated phase, LP-γ, at 47% RH. Structural studies reveal that host-guest and guest-guest interactions are involved in the NP, LP-α, and LP-γ phases. The LP-β phase, however, is atypical; molecular modeling studies indicating that it is indeed energetically favorable as a LP structure. To our knowledge, [Zn<sub>3</sub>(OH)<sub>2</sub>(btca)<sub>2</sub>] is only the second sorbent that exhibits water induced LP-NP-LP transformations (after MIL-53) and represents the first regeneration optimized sorbent (ROS) with two steps at RH ranges relevant for both atmospheric water harvesting and dehumidification. Sorbent ; Dual (grammatical number) ; Dual purpose ; Water vapor ; Metal ; Dual role ; Environmental science ; Environmental chemistry ; Chemistry ; Combinatorial chemistry ; Engineering ; Organic chemistry ; Mechanical engineering ; Adsorption ; Art Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Fabia Cenciarelli | Demetra Giuri | Silvia Pieraccini | Stefano Masiero | Simone D'Agostino | Claudia Tomasini
Source: Chemistry - A European Journal (article, 2025-03-11)
Field: Materials Science — Biomaterials

Phenylalanine‐Based Amphiphilic Self‐Assembled Materials: Gels or Crystals? We prepared three simple molecules, that we chose as representative examples of amphiphilic and bolamphiphilic amino acid derivatives: N-lauroyl-L-phenylalanine (Lau-Phe-OH), N-palmitoyl-L-phenylalanine (Pal-Phe-OH), N,N-azeloyl-L-diphenylalanine Az-(Phe-OH)<sub>2</sub>, to study the influence of the aliphatic side chain on the formation of supramolecular materials. We found that Pal-Phe-OH is a very efficient gelator in contrast with Az-(Phe-OH)<sub>2</sub> that efficiently forms crystals, while Lau-Phe-OH forms metastable hydrogels that slowly become crystals. We demonstrated by X-ray diffraction that Lau-Phe-OH and Pal-Phe-OH easily form hetero-intermolecular hydrogen bonds between the carboxylic and amidic groups, while Az-(Phe-OH)<sub>2</sub> forms homo-intermolecular hydrogen bonds, i. e., the typical carboxylic ring dimer and chains between the amidic functions, which leads to an extended and robust 2D hydrogen bonding network. Moreover, Lau-Phe-OH is more ordered than Pal-Phe-OH and the comparison of these results clearly indicates that the reduced order of Pal-L-Phe-OH is the main reason for the efficiency of this molecule as supergelator. Hydrogen bond ; Chemistry ; Intermolecular force ; Phenylalanine ; Supramolecular chemistry ; Dimer ; Molecule ; Stereochemistry ; Amphiphile ; Crystallography ; Self-healing hydrogels ; Carboxylic acid ; Polymer chemistry ; Amino acid ; Polymer ; Organic chemistry ; Copolymer Supramolecular Self-Assembly in Materials ; Chemical Synthesis and Analysis ; Crystallography and molecular interactions
Authors: Subin Antony Jose | Alessandro M. Ralls | Ashish K. Kasar | Alexander Antonitsch | Daniel Cerrillo Neri | Jaybon Image | K. Meyer | G. Zhang | Pradeep L. Menezes
Source: Materials (review, 2025-08-22)
Field: Materials Science — Materials Chemistry

MXenes: Manufacturing, Properties, and Tribological Insights MXenes, a novel class of two-dimensional (2D) transition metal carbides and nitrides, have garnered significant attention due to their exceptional thermal conductivity, electrical properties, and mechanical strength. This review offers a comprehensive overview of MXenes, focusing on their synthesis methods, material properties, tribological performance, and potential challenges and opportunities. Typically synthesized through the selective etching of layered precursors, MXenes offer highly tunable structures, allowing for precise tailoring for specific functionalities. Their outstanding properties, such as high electrical conductivity, chemical versatility, mechanical durability, and intrinsic lubricity, make them promising candidates for various applications, including energy storage, electromagnetic shielding, water purification, biosensing, biomedicine, and advanced tribological systems. While many of these applications are briefly acknowledged, this review primarily emphasizes MXenes' potential in tribological applications, where recent studies have highlighted their promise as solid lubricants and tribological additives due to their low shear strength, layered structure, and ability to form protective tribofilms under sliding contact. However, challenges such as oxidation resistance, long-term stability, and performance under extreme environments continue to impede their full potential. With less than a decade of focused research, the field is still evolving, but MXenes hold tremendous promise for revolutionizing modern material science, especially in next-generation lubrication and wear-resistant systems. This review explores both the opportunities and challenges associated with MXenes, emphasizing their emerging role in tribology alongside their broader engineering applications. MXenes ; Tribology ; Materials science ; Composite material ; Nanotechnology MXene and MAX Phase Materials ; Aluminum Alloys Composites Properties ; Graphene and Nanomaterials Applications
Authors: Ravi Varala | Murali Mohan Achari Kamsali | Mohamed Hussein | Mohammed Mujahid Alam
Source: Journal of Heterocyclic Chemistry (article, 2025-07-24)
Field: Chemistry — Organic Chemistry

Visible Light‐Mediated Synthesis of Quinazoline and Quinazolinone Derivatives: A Quadrennial Update ABSTRACT Quinazoline and quinazolinones are among the most significant nitrogenous heterocycles in medicinal chemistry, with a broad range of biological properties. There are several traditional methods to generate them in the literature. Most of them include the generation of enormous amounts of waste, laborious workup, and poor‐yield products, all of which contribute to the impact on the environment. Therefore, it would be ideal to employ moderate, straightforward methods to construct such a strong nucleus. However, during the past fifteen years, visible light‐mediated transformations have also garnered a lot of interest as an environmentally friendlier and greener alternative since they use photons as a clean energy source. This study investigates a range of representative synthetic protocols from 2021 forward to date, therefore expanding our understanding of visible light‐driven quinazoline and quinazolinone derivative synthesis. It also generates ideas for potential future developments. This compendium is organized based on the type of heterocyclic scaffold that was synthesized. The scopes, limits, and mechanistic research of various study findings are also discussed. Quinazolinone ; Chemistry ; Quinazoline ; Combinatorial chemistry ; Medicinal chemistry Quinazolinone synthesis and applications ; Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods
Authors: Ayesha Afrin | Chinna Ayya Swamy P
Source: CrystEngComm (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes This study explores the influence of positional substitution of benzothiazole on the optical and solid-state properties of carbazole-cyanostilbene derivatives, focusing on two key positional isomers: 2-BTCZCS and 5-BTCZCS . Benzothiazole ; Carbazole ; Chemistry ; Aggregation-induced emission ; Materials science ; Photochemistry ; Organic chemistry ; Optics ; Physics ; Fluorescence Nonlinear Optical Materials Research ; Inorganic and Organometallic Chemistry ; Photochemistry and Electron Transfer Studies
Authors: Mark V. Sullivan | Perrine Lasserre | Chester Blackburn | Nicholas W. Turner | Börje Sellergren
Source: Responsive materials (article, 2025-02-01)
Field: Chemistry — Analytical Chemistry

Stimuli‐responsive molecularly imprinted materials: Fundamentals and applications Abstract Stimuli‐responsive molecularly imprinted polymers (MIPs) are exciting smart materials that are gaining substantial interest within the research community due to their versatility and possible widespread applications in biosensing, biomedicine and diagnostics, as well as chromatography and separation sciences. These materials offer significant advantages as recognition materials over their biological counterparts (antibodies) because of their ease and low cost of production along with their robustness and resistance to the extremes of temperature and pH. This much needed review aims to provide an updated summary of the various stimuli‐responsive MIPs reported to date including those relying on thermo, pH, photo, biomolecule, ion, magnetic and electrical stimuli and includes their design and synthesis. The review also explores the potential applications of the stimuli‐responsive MIPs, particularly in the fields of biosensors and diagnostics, along with biological imaging, drug delivery, disease treatments and interventions and the separation of targets from complex media. The advantages and disadvantages of the current stimuli‐responsive MIPs set out in the review, allows for researchers to gather a concise understanding of these smart‐materials and should pave the way for new methods of development and real‐world applications. We believe the review is a helpful and necessary guide for the future evolution and application of stimuli‐responsive MIPs. Molecularly imprinted polymer ; Materials science ; Computer science ; Chemistry ; Organic chemistry Analytical chemistry methods development ; Microfluidic and Capillary Electrophoresis Applications ; Analytical Chemistry and Chromatography