jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anil Kumar | Rachna Narula | Gul Tomar | Nitu Sehrawat | Manish Yadav | Chandra Mohan | Himanshi | Vinod Kumar
Source: Journal of Carcinogenesis (article, 2025-08-31)
Field: Chemistry — Inorganic Chemistry

Metal–Organic Frameworks (MOFs): Structure, Synthesis, Characterization, and Emerging Applications in Energy, Environment, and Biomedicine A family of porous crystalline compounds known as Metal-Organic Frameworks (MOFs) creates highly structured three-dimensional structures by coordinating metal ions or clusters to organic linkers. MOFs have attracted a lot of attention in a variety of scientific and industrial fields because of their exceptional surface area, adjustable pore diameters, and chemical adaptability. In addition to examining the structural building blocks of MOFs, which include primary and secondary building units, this analysis highlights the historical development of MOFs from the groundbreaking synthesis of MOF-5. In terms of scalability, sustainability, and morphological control, a number of synthesis techniques solvothermal, microwave-assisted, sonochemical, mechanochemical, and electrochemical are thoroughly explained. Characterization techniques such BET measurement, FTIR, TGA, SEM, and XRD and NMR are investigated to determine chemical structure, surface area, heat resistance, and crystallinity. Additionally covered is the vast array of uses for MOFs, ranging from drug administration and biological imaging to gas adsorption and separation, energy storage, catalysis, and water purification. MOFs have a bright future ahead of them, especially in advanced medicine, environmental remediation, and green energy. The review highlights how MOFs are essential components in new technologies due to their structural tunability and post-synthetic modifications, which make them incredibly adaptable for certain applications. Biomedicine ; Characterization (materials science) ; Metal-organic framework ; Variety (cybernetics) ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Machine Learning in Materials Science
Authors: Maria Orehova | Ema Žagar | David Pahovnik
Source: Materials (article, 2025-08-30)
Field: Materials Science — Biomaterials

Synthesis of Morpholinoamido- and Ester-Disubstituted ε-Caprolactones and Their Ring-Opening (Co)Polymerization The development of hydrophilic biodegradable polymers is crucial for a range of biomedical applications, including targeted drug delivery and prosthetics. Ring-opening polymerization of substituted ε-caprolactone monomers provides an efficient method for the synthesis of polyesters with tailored properties. In this work, a synthetic approach for the preparation of ester- and morpholinoamido-disubstituted ε-caprolactone monomers was developed. Poorly defined polymers were obtained from the monomers, bearing two ester groups due to the competitive transesterification of the pendant substituents. On the other hand, the disubstituted morpholinoamido-ε-caprolactone was polymerized in a controlled manner by ring-opening polymerization, and amorphous homopolymers with a high glass transition temperature (112 °C) and good solubility in water were obtained. Statistical and block copolymers with the unsubstituted ε-caprolactone were also prepared, and DLS analysis of the amphiphilic block copolymers in water shows the presence of self-assembled particles. These results demonstrate the potential of morpholinoamido-functionalized ε-caprolactone derivatives as building blocks for the development of biodegradable polymeric materials for biomedical applications. Polymerization ; Ring-opening polymerization ; Ring (chemistry) ; Polymer chemistry ; Chemistry ; Materials science ; Organic chemistry ; Polymer biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization ; Carbon dioxide utilization in catalysis
Authors: Tuhin Ganguly | Lorenzo C. Ruiz De Castilla | Rumela Adhikary | Loi H.
Source: Polymer Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Ethylene and alkyl acrylate copolymers made-to-order using dynamic cation switching polymerization and evidence for improved polymer degradability with low polar group density Customization of ethylene and alkyl acrylate copolymers yields materials with mechanical properties comparable to polyethylene but with enhanced oxidative degradability. Copolymer ; Ethylene ; Alkyl ; Acrylate ; Polymerization ; Polyethylene ; Polar ; Polymer Advanced Polymer Synthesis and Characterization
Authors: ‪Ali qasim Tuama‬‏
Source: Iraqi Journal of Natural Sciences and Nanotechnology (article, 2025-12-28)
Field: Materials Science — Biomaterials

TiO₂ Nanofibers for Biomedical Applications: From Fabrication to Bacterial and Fungal Selectivity: A Review The titanium dioxide (TiO2) nanofibers have garnered much interest particularly in the biomedical sector whereby its characteristics, i.e. high surface volume ratio, high photocatalytic activity and high biocompatibility have made it very popular. To expand the magnitude of production of such nanofibers, various and diverse synthesis techniques such as electrospinning, sol-gel processing and template assisted techniques, have been used. In particular, the methods also enable optimization of the morphology and the crystal structure of the final materials by the research. The TiO2 nanofibers have been used in these fields, leading to their application in tissue engineering scaffolds up to antimicrobial coating. They are activity selective in relation to bacterial and fungal pathogens due to their efficacy. The review will comment on the history of manufacturing of TiO2 nanofibers and the uses that the developments have been put in biomedical applications. This review also features their antimicrobial effect and selectivity towards different kinds of microorganisms is also discussed in relation to next-generation TiO2 nanofibers when applied to the biomedical materials. Nanofiber ; Biocompatibility ; Antimicrobial ; Fabrication ; Electrospinning Electrospun Nanofibers in Biomedical Applications ; Cancer Research and Treatment ; TiO2 Photocatalysis and Solar Cells
Authors: Mariia B. Struhatska | Nataliia S. Kariaka | Viktor Trush | Viktoriya V. Dyakonenko | Svitlana V. Shishkina | Sergey S. Smola | Nataliia Rusakova | Volodymyr AMIRKHANOV
Source: Ukrainian Chemistry Journal (article, 2025-12-25)
Field: Materials Science — Materials Chemistry

STRUCTURE AND SPECTRAL EVALUATION OF COVALENCY IN ND(III) TETRAKIS COMPLEXES WITH CARBACYLAMIDOPHOSPHATE LIGANDS Two neodymium(III) tetrakis complexes with different carbacylamidophosphate ligands and a tetraethylammonium cation of the formulas NEt4[NdL14] (1Nd) and NEt4[NdL24]·iPrOH (2Nd) were synthesized, where [L1]⁻ is dimethyl-N-trichloroacetyl­ami­­dophosphate, Cl3CC(O)NP(O)(OCH3)2⁻, and [L2]⁻ is diphenyl-N-trichloroacetylami­do­phosphate, Cl3CC(O)NP(O)(OC6H5)2⁻. The compounds were characterized by elemental analysis, infrared spectroscopy, diffuse reflectance electronic spectroscopy, and single-crystal X-ray diffraction analysis. Structural analysis confirmed the formation of anionic complexes featuring a NdO8 coordination environment. Coordination polyhedra of central ions are best described as a triangular dodecahedron for 1Nd and a square antiprism for 2Nd. Diffuse reflectance spectra in the UV–vis–NIR region revealed characteristic f–f transitions of NdIII, with ligand-dependent modulation of band shape and intensity of the “hypersensitive” transitions. The bonding between the metal and the ligands was found to have weak covalent character. Luminescence studies of the 2Nd complex revealed weak emission sensitization by the ligands. Square antiprism ; Dodecahedron ; Luminescence ; Covalent bond ; Ion ; Diffuse reflection ; Coordination complex ; Triangular prism ; Diffuse reflectance infrared fourier transform ; Diffraction Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Metal complexes synthesis and properties
Authors: Sheng Shen | Yuanhe Li | Ryan Ray Yen Lee | Yang Gao | Hwan Chour Han | Zhixian Wan | Calvent Owh | Cherq Chua | Zhen Yu Chong | Natalie Ng | Wei Tang | Chong Tian
Source: Nature Communications (article, 2025-10-23)
Field: Chemistry — Organic Chemistry

Programmable molecular dethreading towards tunable drug release Precise control of molecular motion is essential for artificial molecular machines. Pseudorotaxane dethreading, a key process within interlocked architectures, offers a means to regulate such motion. However, achieving predictable and programmable control over dethreading kinetics remains challenging. Here, we achieve systematic modulation of dethreading behaviour through component engineering, using a pseudorotaxane platform composed of 24-crown-8-based macrocycles and adjustable benzylic amine stoppers. Activation energies are continuously tunable across the range of 22 to 30 kcal/mol, with a resolution as fine as 0.5-1.5 kcal/mol. Crystallographic analyses and computational modeling elucidate the dethreading pathway and the structure-kinetic relationships. As a proof-of-concept, representative assemblies are functionalized with the anticancer agent camptothecin. The resulting pseudorotaxanes display a consistent trend between their dethreading rates and cytotoxic potency. This work bridges molecular-scale mechanical motion with biological effects and provides a generalizable strategy for the design of programmable drug delivery systems. The pseudorotaxane toolkit reported here lays the foundation for the development of advanced molecular machines in biomedical applications. Drug delivery ; Molecular dynamics ; Drug discovery ; Molecular machine ; Kinetics ; Biocompatible material ; Process (computing) ; Component (thermodynamics) Supramolecular Chemistry and Complexes ; Chemical Synthesis and Analysis ; Molecular Sensors and Ion Detection
Authors: Sifat Kawsar | Abu Bakar Siddique | Abdullah Noman | Sayem Kawsar | Md. Sakib Hasan Khan | Iftheker Ahmed Khan
Source: SciEn Conference Series Engineering (article, 2025-11-11)
Field: Materials Science — Materials Chemistry

Study of Two Temperatures on Lab-scale Synthesis and Characterization of Hexagonal Boron Nitride Hexagonal boron nitride (h-BN) is a potential 2D material due to its advantageous characteristics such as low specific density, resilience to high temperatures, increased interlayer shear force, broad bandgap, and resistance to oxidation. This study aimed to explore a cost-effective and lab-scale synthesis method of h-BN by optimizing two temperatures. For the synthesis of h-BN, sol-gel synthesis method has been used. The synthesized h-BN was characterized by FTIR, XRD, and Zeta potential. FTIR confirmed the formation of BN at 600°C for 4 M boric acid-based precursor solution. XRD analysis showed the crystal size 27.74 nm for h-BN. Zeta potential was measured -26.8 mV for h-BN. This study will help the scientific community to easily synthesize and further tune the properties of h-BN which will ultimately open a new door in many fields such as medicine, drug delivery, environmental remediation. Boric acid ; Zeta potential ; Characterization (materials science) ; Hexagonal boron nitride ; Boron nitride ; Boron ; Crystal (programming language) Boron and Carbon Nanomaterials Research ; Graphene research and applications ; 2D Materials and Applications
Authors: Tuhin Ganguly | Lorenzo Ruiz De Castilla | Rumela Adhikary | Loi H.
Source: ChemRxiv (preprint, 2025-09-18)
Field: Chemistry — Organic Chemistry

Ethylene and Alkyl Acrylate Copolymers Made-to-Order Using Dynamic Cation Switching Polymerization and Evidence for Improved Polymer Degradability with Low Polar Group Density The industrial synthesis of functional polyolefins relies on free radical polymerization, which requires high temperature and pressure and offers poor microstructure control. Herein, we report a cation-switching strategy to access ethylene and alkyl acrylate copolymers with made-to-order molecular weight, molecular weight distribution, and polar monomer density, tunable within a catalyst-dependent range. This precision was achieved by exploiting the cation exchange dynamics between M+ and M′+ (where M+, M′+ = Li+, Na+, K+, or Cs+, and M ≠ M′) with our nickel phenoxyphosphine-polyethylene glycol catalyst. Under non-switching conditions, copolymerization of ethylene and methyl acrylate (MA) using our nickel catalyst in the presence of M+ and M′+ salts afforded ethylene-MA copolymers (EMA) with adjustable molecular weight distributions based on the ratio of M+:M′+ employed. Under dynamic cation switching conditions, this catalyst system yielded monomodal EMA with molecular weight and MA incorporation that can be varied independently. Studies of the EMA revealed that while they retain the thermal and mechanical properties of polyethylene having the same molecular weight, increasing the MA per chain by as few as 1-3 units leads to measurable increase in their wettability and susceptibility toward oxidative cleavage. This work adds to a growing body of evidence suggesting that ethylene-based materials can be designed for improved degradability without compromising performance. Copolymer ; Alkyl ; Monomer ; Acrylate ; Ethylene ; Polymerization ; Methyl acrylate ; Polymer Advanced Polymer Synthesis and Characterization
Authors: Rohit Rian
Source: Berkeley Scientific Journal (article, 2025-11-13)
Field: Materials Science — Polymers and Plastics

Reduce, Reuse, Recycle: Recovering 100% of Your Plastics by Refining Polymer Synthesis Interview with Brooks Abel Refining (metallurgy) ; Polymer ; Synthetic polymer Polymer crystallization and properties ; Polymer Science and PVC ; Material Selection and Properties
Authors: Liting He | H Zhou | Qiushi Chen | Xing Guo | H. C. Liu | Xuechen Li
Source: Advanced Science (article, 2025-12-23)
Field: Chemistry — Organic Chemistry

Expanding the Chemical Space of Cyclic Polyphthalaldehyde via Post‐Functionalization Cyclic polyphthalaldehydes (cPPAs) are hydrophobic cyclic polymers with stimuli-responsive depolymerization property. The introduction of hydrophilic functionalities to cPPAs is challenging due to the intrinsic limitation of cationic polymerization. Herein, we developed a post-functionalization approach to achieve water-soluble cPPA derivatives with high molecular weight. The cPPA modified with cell-penetrating oligoarginine underwent cellular uptake via endocytosis and acid-triggered depolymerization in lysosome, which provided new potential for biological application. Depolymerization ; Polymer ; Cationic polymerization ; Endocytosis ; Chemical space Advanced Polymer Synthesis and Characterization ; Dendrimers and Hyperbranched Polymers ; Synthetic Organic Chemistry Methods
Authors: A. O. Sergeev | D.V. NOSULYA | A.V. CHERIKOV | D.A. ZABRODA | D.S. KOSYANENKO | В. М. Мохов
Source: IZVESTIA VOLGOGRAD STATE TECHNICAL UNIVERSITY (article, 2025-05-01)
Field: Chemistry — Inorganic Chemistry

CATALYTIC HYDROGENATION OF PYRIDINE AND QUINOLINE DERIVATIVES This article presents a review of catalytic hydrogenation as one of the leading methods for obtaining nitrogen-containing heterocyclic compounds with a reduced ring system, which are valuable products in many industries. Various approaches to the synthesis of these compounds using homo- and heterogeneous catalytic systems and various reducing agents are described, and the main areas of application of reduced N-heterocycles are identified. Quinoline ; Catalysis ; Pyridine ; Chemistry ; Organic chemistry ; Catalytic hydrogenation ; Combinatorial chemistry Asymmetric Hydrogenation and Catalysis
Authors: Borja Ortín‐Rubio | Yunhui Yang | Emilio Borrego-Marin | Jaume Rostoll‐Berenguer | Carlos Vila | Judith Juanhuix | Inhar Imaz | Jorge A. R. Navarro | Daniel Maspoch
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Linker desymmetrisation unlocks new topologies, defective clusters, and catalytic activity in zirconium- and rare-earth metal–organic frameworks Metal-organic frameworks (MOFs) based on highly connected nets continue to expand the landscape of reticular chemistry, with zirconium (Zr) and rare-earth (RE) clusters offering ideal nodes for the construction of robust and structurally diverse materials. While desymmetrisation of tetratopic linkers has recently emerged as a promising approach to accessing new framework topologies, the underlying principles governing cluster connectivity remain poorly understood. Here, we systematically investigate the effect of linker desymmetrisation on the assembly of Zr- and RE-MOFs. A literature survey of planar tetratopic linkers revealed that geometric parameters such as height-to-width ratio and torsion angles play a key role in dictating cluster connectivity. Guided by these insights, we designed two new nanosized tetratopic ligands with enhanced conformational flexibility, enabling the synthesis of six MOFs with diverse cluster types and topologies. These include three Zr-MOFs, two featuring 8-connected (8-c) Zr<sub>6</sub> clusters with <b>csq</b> and <b>scu</b> topologies, and one with a rare 4-c Zr cluster, and three RE-MOFs, including one with an unprecedented heptanuclear RE cluster forming a 4,8L15 net. Finally, we demonstrate that frameworks with accessible metal clusters, such as the <b>csq</b>-Zr-MOF and 4,8L15-RE-MOF, show outstanding catalytic activity in the hydrolysis of P-F bonds in G-type nerve agent simulants. These results highlight linker desymmetrisation as a powerful strategy for tuning both structure and function in MOFs. Linker ; Cluster (spacecraft) ; Catalysis ; Function (biology) ; Hydrolysis Metal-Organic Frameworks: Synthesis and Applications ; Nanocluster Synthesis and Applications ; Magnetism in coordination complexes
Authors: Е. Н. Доморощина | Г. М. Кузьмичева | Ivan Akin’shin | Rоman D. Svetogorov | Evgeny V. Khramov | Ratibor G. Chumakov | Quang K. Nguyen
Source: Research Square (preprint, 2025-01-17)
Field: Materials Science — Ceramics and Composites

Impact of Transition Metals (M=Mn, Fe, Co, Ni, Cu, Zn) on the Formation of Local and Crystal Structure of MBTC Phases Transition metal ; Manganese ; Crystal structure ; Materials science ; Crystallography ; Metallurgy ; Inorganic chemistry ; Chemistry ; Catalysis Advanced ceramic materials synthesis ; Intermetallics and Advanced Alloy Properties ; Aluminum Alloys Composites Properties
Authors: Dini Deviana Saputri | Teguh Endah Saraswati | Wijang Wisnu Raharjo
Source: ALCHEMY Jurnal Penelitian Kimia (article, 2025-09-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The Synergistic Enhancement of Electromagnetic Interference Shielding Polymer Composites using Carbon Nanofiber-Metal Oxide Hybrid Fillers In this modern era, humans cannot be separated from utilizing electronic devices. The unwanted noise or disturbance problem in electronic devices is majorly caused by Electromagnetic Interference (EMI). Recent technology and materials are being developed to manufacture EMI shielding composites. Carbon nanomaterial-based composites have become a very attractive material because of their lightweight, incredible mechanical, thermal, and conductivity properties. Carbon nanofibers (CNFs) and metal oxides are promising combination materials that reveal unique properties of both components to enhance shielding effectiveness. This combination of CNFs and metal oxides results in a synergistic effect, where the conductive CNFs enhances the reflection of EMI, and the metal oxides contribute to the absorption and attenuation of the waves. In this review article, the authors focus on the extensive discussion about the synthesis method of producing CNFs, some studies that combine CNFs and metal oxide, and some reports about using CNFs-metal oxide as a hybrid filler in the EMI shielding composites. Electromagnetic shielding ; Electromagnetic interference ; Carbon nanofiber ; EMI ; Oxide ; Carbon fibers ; Electrical conductor ; Metal ; Filler (materials) ; Carbon black Electromagnetic wave absorption materials ; Material Properties and Applications ; Tribology and Wear Analysis
Authors: Soma Gergely Csik | Szabolcs Márk Orosz | Sára Spátay | Ádám Golcs
Source: Advanced Synthesis & Catalysis (article, 2025-12-02)
Field: Chemistry — Organic Chemistry

Breaking Technological Limits in HT Synthesis: A Platform Concept to Unlock Phase‐Transfer Catalysis in Microplate‐Based S <sub> <i>N</i> </sub> 2 Automation We report a covalently immobilized crown ether‐based platform that enables phase‐transfer‐catalyzed S N 2 reactions under fully automated microplate conditions. This regenerable system overcomes key limitations of HT synthesis—solubility mismatches, mixing constraints, and purification demands—offering a zero‐waste solution for expanding the accessible reaction space in robotized synthetic workflows. The approach relies on silanized glass microvials bearing dibenzo‐18‐crown‐6 functionalities, providing a well‐defined catalytic interface between immiscible organic and aqueous phases. The dynamic movement of the phase boundary during orbital shaking ensures continuous reagent exchange without the need for mechanical stirring. Model transformations using benzyl chloride and alkali metal salts (KCN, NaSCN) validated the efficiency of the immobilized phase‐transfer system, showing comparable or superior yields relative to homogeneous conditions. The covalently anchored catalysts remained active over multiple cycles, demonstrating excellent stability and reusability. The results establish a generalizable strategy for integrating biphasic reactions into automated high‐throughput synthesis workflows by eliminating the need for free phase‐transfer catalysts. Catalysis ; Reagent ; Covalent bond ; Automation ; Aqueous solution ; Workflow ; Homogeneous ; Microreactor Microwave-Assisted Synthesis and Applications ; Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions
Authors: Na’il Saleh | Shaikha S. AlNeyadi
Source:  (preprint, 2025-06-12)
Field: Chemistry — Inorganic Chemistry

Glycoluril-Based Metal-Organic Frameworks The glycoluril building blocks have only been connected via their NH sides in all the previously reported structures in porous material science, supramolecular chemistry, and many other fields. Here, we present the design and synthesis of a new glycol Metal-organic framework ; Business ; Chemistry ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications