jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: А. P. Sivokhin | D. V. Orekhov | О. А. Казанцев | Ksenia V. Otopkova | Olga Sivokhina | Ilya Chuzhaykin | А. А. Овчинников | Olga Zamyshlyayeva | И. А. Павлова | O. A. Ozhogina | М Н Чубенко
Source: Polymers (article, 2023-12-31)
Field: Chemistry — Organic Chemistry

Amide-Containing Bottlebrushes via Continuous-Flow Photoiniferter Reversible Addition–Fragmentation Chain Transfer Polymerization: Micellization Behavior Herein, a series of ternary amphiphilic amide-containing bottlebrushes were synthesized by photoiniferter (PI-RAFT) polymerization of macromonomers in continuous-flow mode using trithiocarbonate as a chain transfer agent. Visible light-mediated polymerization of macromonomers under mild conditions enabled the preparation of thermoresponsive copolymers with low dispersity and high yields in a very short time, which is not typical for the classical reversible addition-fragmentation chain transfer process. Methoxy oligo(ethylene glycol) methacrylate and alkoxy(C<sub>12</sub>-C<sub>14</sub>) oligo(ethylene glycol) methacrylate were used as the basic monomers providing amphiphilic and thermoresponsive properties. The study investigated how modifying comonomers, acrylamide (AAm), methacrylamide (MAAm), and N-methylacrylamide (-MeAAm) affect the features of bottlebrush micelle formation, their critical micelle concentration, and loading capacity for pyrene, a hydrophobic drug model. The results showed that the process is scalable and can produce tens of grams of pure copolymer per day. The unmodified copolymer formed unimolecular micelles at temperatures below the LCST in aqueous solutions, as revealed by DLS and SLS data. The incorporation of AAm, MAAm, and N-MeAAm units resulted in an increase in micelle aggregation numbers. The resulting bottlebrushes formed uni- or bimolecular micelles at extremely low concentrations. These micelles possess a high capacity for loading pyrene, making them a promising choice for targeted drug delivery. Micelle ; Chain transfer ; Copolymer ; Raft ; Polymer chemistry ; Polymerization ; Lower critical solution temperature ; Ethylene glycol ; Amphiphile ; Chemistry ; Methacrylate ; Macromonomer ; Reversible addition−fragmentation chain-transfer polymerization ; Dispersity ; Materials science ; Polymer ; Radical polymerization ; Aqueous solution ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications ; Photochromic and Fluorescence Chemistry
Authors: Laura Álvarez‐Manuel | Cinthia Alegre | David Sebastián | Pedro F. Napal | M.J. Lázaro
Source: Nanomaterials (article, 2023-12-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tailored Porous Carbon Xerogels for Fe-N-C Catalysts in Proton Exchange Membrane Fuel Cells Atomically dispersed Fe-N-C catalysts for the oxygen reduction reaction (ORR) have been synthesized with a template-free method using carbon xerogels (CXG) as a porous matrix. The porosity of the CXGs is easily tunable through slight variations in the synthesis procedure. In this work, CXGs are prepared by formaldehyde and resorcinol polymerization, modifying the pH during the process. Materials with a broad range of porous structures are obtained: from non-porous to micro-/meso-/macroporous materials. The porous properties of CXG have a direct effect on Fe-N-CXG activity against ORR in an acidic medium (0.5 M H<sub>2</sub>SO<sub>4</sub>). Macropores and wide mesopores are vital to favor the mass transport of reagents to the active sites available in the micropores, while narrower mesopores can generate additional tortuosity. The role of microporosity is investigated by comparing two Fe-N-C catalysts using the same CXG as the matrix but following a different Fe and N doping procedure. In one case, the carbonization of CXG occurs rapidly and simultaneously with Fe and N doping, whereas in the other case it proceeds slowly, under controlled conditions and before the doping process, resulting in the formation of more micropores and active sites and achieving higher activity in a three-electrode cell and a better durability during fuel cell measurements. This work proves the feasibility of the template-free method using CXG as a carbon matrix for Fe-N-C catalysts, with the novelty of the controlled porous properties of the carbon material and its effect on the catalytic activity of the Fe-N-C catalyst. Moreover, the results obtained highlight the importance of the carbon matrix's porous structure in influencing the activity of Fe-N-C catalysts against ORR. Materials science ; Catalysis ; Mesoporous material ; Carbonization ; Chemical engineering ; Carbon fibers ; Proton exchange membrane fuel cell ; Porosity ; Microporous material ; Resorcinol ; Reagent ; Inorganic chemistry ; Composite material ; Chemistry ; Organic chemistry ; Scanning electron microscope Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Catalytic Processes in Materials Science
Authors: Mohammad Aghajani-Hashjin | Seyed Morteza Naghib
Source: Multidisciplinary Cancer Investigation (article, 2023-11-01)
Field: Chemistry — Inorganic Chemistry

Nanoscale MOF-Based Composites for Cancer Treatment Recently, the use of porous nanomaterials with large mesopores, tunable porosity, and high surface area has drawn particular interest in the treatment and imaging of cancer.Adding additional pores to nanostructures alters therapeutic agent loading capacity and controlled release.It enhances optoelectronic and optical features suitable for tumor treatment.For many years, the leading cause of disease-related death has been cancer, which seriously threatens human health.Nanoscale-metal-organic frameworks are thought to have potential applications in the treatment and biomedical imaging of various tumors due to the rapid advancement of nanomedicine.Since their high surface area and porosity, ability to be customized in size, numerous physicochemical properties, ease of surface functionalization, and simplicity in synthesis, metal-organic frameworks (MOFs), an emerging porous organic-inorganic hybrid material, have gained popularity in recent years.These characteristics make them ideal carriers for cancer theragnostic applications.Although significant research has been done for the potential use of nanoscale MOFs (NMOFs) in cancer diagnostic and therapeutics, more information regarding the stability, in-vivo clearance, toxicology, and pharmacokinetics is still needed to enhance the use of NMOFs in cancer diagnostic and therapeutic.Different techniques using NMOFs are systematically summarized, including chemotherapy, photodynamic therapy (PDT), photothermal therapy (PTT), chemodynamical therapy (CDT), radiotherapy (RT), and the combined therapy methods.Finally, a brief conclusion and outlook for biomedical applications of this special field is provided. Nanoscopic scale ; Materials science ; Composite material ; Metal-organic framework ; Nanotechnology ; Chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Boron and Carbon Nanomaterials Research
Authors: Mshari A. Alotaibi | Abdulrahman I. Alharthi | Talal F. Qahtan | Satam Alotibi | Amani M. Alansi | Md. Afroz Bakht
Source: Nanomaterials (article, 2023-11-22)
Field: Chemistry — Organic Chemistry

Photocatalytic Synthesis of Coumarin Derivatives Using Visible-Light-Responsive Strawberry Dye-Sensitized Titanium Dioxide Nanoparticles This study presents a novel method for the photocatalytic synthesis of 4-aryl-6-(3-coumarinyl) pyrimidin-2 (1H)-ones (a coumarin derivative) using strawberry dye-sensitized TiO<sub>2</sub> (SD-TiO<sub>2</sub>) under visible light. The synthesis of 4-aryl-6-(3-coumarinyl) pyrimidin-2 (1H)-ones was achieved through a three-component, one-pot condensation reaction involving 3-acetyl coumarin, aldehydes, and urea, utilizing SD-TiO<sub>2</sub> as a reusable and innovative photocatalyst at room temperature. The resulting SD-TiO<sub>2</sub> photocatalyst was thoroughly characterized using FT-IR, XPS, XRD, SEM, and BET. The efficacy of SD-TiO<sub>2</sub> was evaluated by comparing it to pristine TiO<sub>2</sub> in terms of photocatalytic activity, and the optimal conditions for the synthesis process were determined. Notably, the SD-TiO<sub>2</sub> photocatalyst exhibited a maximum yield of the compound, reaching up to 96% in just 30 min with a catalyst concentration of 1 mg/mL. This yield surpasses traditional thermal procedures employing reflux conditions, where 1 mg/mL of SD-TiO<sub>2</sub> is sufficient to complete the reaction. The resulting 4-aryl-6-(3-coumarinyl) pyrimidin-2 (1H)-ones were further characterized using <sup>1</sup>H-NMR and <sup>13</sup>C-NMR. Moreover, the stability of the SD-TiO<sub>2</sub> photocatalyst was confirmed through recyclability experiments and spectroscopic characterization, demonstrating its practicality for up to three consecutive reaction cycles. Photocatalysis ; Titanium dioxide ; Yield (engineering) ; Proton NMR ; Coumarin ; Materials science ; Catalysis ; Aryl ; Visible spectrum ; Nuclear chemistry ; Photochemistry ; Chemistry ; Organic chemistry Multicomponent Synthesis of Heterocycles ; TiO2 Photocatalysis and Solar Cells ; Radical Photochemical Reactions
Authors: Francesca Bia | Isacco Gualandi | Jan Griebel | Leon Rasmussen | Bassam Hallak | Domenica Tonelli | Berthold Kersting
Source: Journal of Materials Chemistry C (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Heterobimetallic conducting polymers based on salophen complexes <i>via</i> electrosynthesis Heterobimetallic polymers: the best of both worlds? The copolymers electrosynthesized in this work can benefit from both the conducting polymer structure and the presence of two metals. Their potential application in sensing ascorbic acid was also explored. Electrosynthesis ; Ascorbic acid ; Polymer ; Materials science ; Copolymer ; Conductive polymer ; Polypyrrole ; Polymer chemistry ; Work (physics) ; Polymer science ; Electrochemistry ; Chemistry ; Polymerization ; Composite material ; Electrode ; Physical chemistry ; Physics ; Thermodynamics Conducting polymers and applications ; Polyoxometalates: Synthesis and Applications ; Electrochemical sensors and biosensors
Authors: Andrea Baschieri | Rita Mazzoni | Cristiana Cesari | Stefano Zacchini | Daniel Pecorari | Letizia Sambri
Source: Inorganica Chimica Acta (article, 2023-03-16)
Field: Chemistry — Organic Chemistry

Ruthenium (0) complexes with NHC tetrazolylidene ligands: Synthesis, characterization and reactivity Here we present two new phenyl-tetrazolylidene carbenes as ligands in non-mesoionic (1,4-substitution pattern) and mesoionic (1,3-substitution pattern) tetrazolylidene-cyclopentadienone ruthenium(0) complexes namely 1 and 2 respectively. The complexes have been obtained in good yield and fully characterized; X-ray structure determination confirmed the binding mode of the ligand for 2. Reactivity studies has been performed in order to shed light on the fact that the phenyl substituent position in the heterocyclic ligand can seriously change complexes behavior and stability. Mesoionic ; Chemistry ; Ruthenium ; Reactivity (psychology) ; Ligand (biochemistry) ; Substituent ; Yield (engineering) ; Stereochemistry ; Substitution reaction ; Substitution (logic) ; Medicinal chemistry ; Combinatorial chemistry ; Catalysis ; Organic chemistry ; Receptor N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Gia Petriashvili | Lali Devadze | Tsisana Zurabishvili | Eka Sepashvili | Archil Chirakadze | Tina Bukia | Jano Markhulia | M. G. Areshidze | Lia Sharashidze | Shorena Akhobadze | Eka Arveladze | Giorgi Sanikidze
Source:  (article, 2023-08-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gold nanoparticles mediated tuning of thermo-optical parameters in gold nanoparticles doped cholesteric liquid crystal nanocomposite Gold nanoparticles mediated tuning of thermo-optical parameters in gold nanoparticles doped cholesteric liquid crystal nanocomposite. / G. Petriashvili, L. Devadze, Ts. Zurabishvili, N. Sepashvili, A. Chirakadze, T. Bukia, J. Markhulia, M. Areshidze, L. Sharashidze, Sh. Akhobadze, E. Arveladze, G. Sanikidze. – 2021–2022. – # 21/22. – pp. 111-124. – eng. Systems of nanoparticles (NPs) dispersed in liquid crystals (LCs) have attracted attention for the possible development of novel materials based on the controlled assembly of the NPs. There is investigated the formation of free-standing nanocomposites formed by the co-assembly of gold nanoparticles (GNPs) in the cholesteric liquid crystal (CLC) structures. It is found that increasing the concentration of GNPs in the CLC-mixture causes a significant modification of CLC structure and tuning of selective reflection band (SRB) over the optical spectrum. Furthermore, it is demonstrated that a light emission in the luminescent dye-doped CLC/GNPs-nanostructure can be increased dramatically when doped with a certain quantity of GNPs. The pumping laser beam onto the CLC/GNPs-nanostructure causes a temperature increase of this nanocomposite followed by SRB shifting of and spectral tuning of the stimulated laser emission lines from CLC/GNPs-nanocomposite. Fig. 11, Ref. 24. Nanocomposite ; Materials science ; Colloidal gold ; Nanoparticle ; Cholesteric liquid crystal ; Liquid crystal ; Doping ; Nanostructure ; Nanotechnology ; Luminescence ; Chemical engineering ; Optoelectronics Liquid Crystal Research Advancements
Authors: Jeanet Conradie
Source: Results in Chemistry (article, 2023-11-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Jahn-Teller distortion in bis(terpyridine)nickel(III) – Elongation or compression? DFT methods were used to evaluate the type of Jahn-Teller distortion in the low spin d7 bis(terpyridine)nickel(III) doublet. The strain of the tridentate terpyridine ligand in bis(terpyridine)nickel(III) leads to longer Ni(III)-N terminal bond lengths than the Ni(III)-N central bonds. In addition, in all DFT optimized bis(terpyridine)nickel(III) molecules, the one set of Ni(III)-N terminal bonds are longer than the other set of Ni(III)-N terminal bonds. Three pairs of Ni(III)-N bonds are present in bis(terpyridine)nickel(III), namely 2 longer Ni(III)-Nterminal1 terminal bonds, 2 medium length Ni(III)-Nterminal2 terminal bonds and 2 shorter Ni(III)-Ncentral central bonds, similar to orthorhombic Jahn-Teller distortion in octahedral complexes. Evaluation of bond length differences, contraction of bonds, spin density plots and the character of the singly occupied molecular orbital (SOMO) and lowest singly unoccupied molecular orbital (SUMO), led to a set of criteria to consider in evaluating the type of Jahn-Teller distortion in the low spin d7 bis(terpyridine)nickel(III) doublet. Jahn-Teller distortion can lead to elongation (z-out) or compression (z-in) of a pair of opposite Ni-N bonds. One key criteria found, is, if the difference in bond length between Ni(III)-Nterminal1 and Ni(III)-Nterminal2 is smaller than the difference in bond length of Ni(III)-Nterminal2 and Ni(III)-Ncentral, then it is a z-in geometry (and vice versa for z-out). Terpyridine ; Nickel ; Crystallography ; Bond length ; Octahedron ; Chemistry ; Jahn–Teller effect ; Molecule ; Metal ; Crystal structure ; Ion Magnetism in coordination complexes ; Organometallic Complex Synthesis and Catalysis ; Metal complexes synthesis and properties
Authors: Kaixin Shen
Source: MATEC Web of Conferences (article, 2023-01-01)
Field: Materials Science — Biomaterials

Synthesis, Properties and Applications of Poly (Butylene Succinate) Polybutylene succinate (PBS) has garnered significant attention as an environmentally friendly and biodegradable substitute for conventional plastics. This paper presents a comprehensive survey of PBS, encompassing its various applications, properties, significance, and recent advancements in research. The paper commences by addressing the pressing issue of plastic pollution and the urgent need for sustainable materials. It proceeds to delve into the origins and synthesis of PBS, accentuating its distinctive composition comprising succinic acid and 1,4-butanediol. The diverse properties of PBS, such as its biodegradability, mechanical strength, flexibility, heat resistance, and chemical compatibility, are meticulously examined and elucidated. The fundamental importance of this review lies in illuminating PBS as a potential remedy for plastic pollution. By showcasing its applicability in industries spanning packaging, agriculture, textiles, automotive, and medicine, the paper effectively underscores the versatility of PBS. Furthermore, the paper explores recent research advancements in the realm of PBS, focusing on modifications and refinements designed to address its limitations. Strategies such as copolymerization, additive integration, chemical modification, blending with other polymers, and the creation of nanocomposites are investigated as means to enhance PBS properties and broaden its range of applications. In conclusion, this paper furnishes a comprehensive overview of PBS, accentuating its capacity to serve as an eco-friendly substitute for traditional plastics. By comprehending the applications, properties, significance, and recent research progress of PBS, readers gain insights into its role in combatting plastic pollution and fostering a more sustainable future. Polybutylene succinate ; Environmentally friendly ; Nanotechnology ; Materials science ; Environmental pollution ; Biochemical engineering ; Polymer science ; Environmental science ; Engineering ; Composite material ; Environmental protection biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Lauren K. Macreadie | Karam B. Idrees | Courtney S. Smoljan | Omar K. Farha
Source: Angewandte Chemie (article, 2023-04-17)
Field: Chemistry — Inorganic Chemistry

Expanding Linker Dimensionality in Metal‐organic Frameworks for sub‐Ångstrom Pore Control for Separation Applications Abstract Metal‐organic frameworks (MOFs) are a class of porous materials with high surface areas, which are acquiring rapid attention on an exponential basis. A significant characteristic of MOFs is their ability to act as adsorbents to selectively separate component mixtures of similar size, thereby addressing the technological need for an alternative approach to conventional distillation methods. Recently, MOFs comprising a 3‐Dimensional (3D) linker have shown outstanding capabilities for difficult separations compared to the parent 2‐Dimensional (2D) analogue. 3D‐linkers with a polycyclic core are underrepresented in the MOF database due to the widespread preferred use of 2D‐linkers and the misconceived high‐cost of 3D linkers. We summarize the recent research of 3D‐linker MOFs and highlight their beneficial employment for selective gas and hydrocarbon adsorption and separation. Furthermore, we outline forecasts in this area to create a platform for widespread adoption of 3D‐linkers in MOF synthesis. Linker ; Metal-organic framework ; Nanotechnology ; Materials science ; Adsorption ; Curse of dimensionality ; Porosity ; Component (thermodynamics) ; Computer science ; Chemistry ; Organic chemistry ; Artificial intelligence Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Enhanced Oil Recovery Techniques
Authors: Yen‐Ho Chu | Pin‐Hsuan Chen | Hsin-Heng Huang
Source: Materials Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Exploiting α-benzylated 1,4-butanesultones to expedite the discovery of small-molecule, LCST-type sulfobetaine zwitterionic materials We report the concise synthesis and discovery of a small library of 16 small-molecule sulfobetaine zwitterionic materials that exhibit LCST phase transitions in water. Lower critical solution temperature ; Small molecule ; Molecule ; Chemistry ; Nanotechnology ; Polymer chemistry ; Materials science ; Organic chemistry ; Polymer ; Copolymer Porphyrin and Phthalocyanine Chemistry ; Polyoxometalates: Synthesis and Applications ; Chemical Synthesis and Reactions
Authors: Matthias Peeters | Jonathan Decaens | Alois Fürstner
Source: Angewandte Chemie (article, 2023-09-12)
Field: Chemistry — Organic Chemistry

Taming of Furfurylidenes by Chiral Bismuth‐Rhodium Paddlewheel Catalysts. Preparation and Functionalization of Optically Active 1,1‐Disubstituted (Trifluoromethyl)cyclopropanes Abstract Although 2‐furyl‐carbenes (furfurylidenes) are prone to instantaneous electrocyclic ring opening, chiral [BiRh]‐paddlewheel complexes empowered by London dispersion allow (trifluoromethyl)furfurylidene metal complexes to be generated from a bench‐stable triftosylhydrazone precursor. These reactive intermediates engage in asymmetric [2+1] cycloadditions and hence open entry into valuable trifluoromethylated cyclopropane or ‐cyclopropene derivatives in optically active form, which are important building blocks for medicinal chemistry but difficult to make otherwise. Trifluoromethyl ; Cyclopropane ; Chemistry ; Cyclopropene ; Rhodium ; Ring (chemistry) ; Bismuth ; Catalysis ; Combinatorial chemistry ; Surface modification ; Chirality (physics) ; Enantioselective synthesis ; Optically active ; Organometallic chemistry ; Organic chemistry ; Stereochemistry ; Chiral symmetry ; Physics Cyclopropane Reaction Mechanisms ; Fluorine in Organic Chemistry ; Catalytic Alkyne Reactions
Authors: Mario Gutiérrez | Urbano Díaz | Boiko Cohen | Abderrazzak Douhal
Source: Journal of Materials Chemistry C (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Synthesis, characterization &amp; catalysis of ITQ 2D metal–organic frameworks and spectroscopic &amp; photodynamic properties of their composites with organic dyes We provide a detailed review of 2D-ITQ-MOFs, novel 2D hybrid materials, which is focused on their synthesis, specific catalytic applications and photophysical properties of composites with different luminescent dyes. Materials science ; Characterization (materials science) ; Catalysis ; Metal-organic framework ; Luminescence ; Metal ; Nanotechnology ; Composite material ; Organic chemistry ; Optoelectronics ; Metallurgy ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Nanoplatforms for cancer theranostics