jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fatimah Alghofaili | Hüseyin Tombuloğlu | M.A. Almessiere | Sultan Akhtar | Güzin Tombuloğlu | Emine Akyüz Turumtay | Halbay Turumtay | A. Baykal
Source: Plant Physiology and Biochemistry (article, 2024-09-07)
Field: Materials Science — Materials Chemistry

Fine-tuning the element dose in nanoparticle synthesis is the critical factor determining nanoparticle's impact on plant growth Nanoparticle ; Manganese ; Cerium oxide ; Zinc ; Cerium ; Plant growth ; Materials science ; Nanotechnology ; Chemistry ; Chemical engineering ; Oxide ; Metallurgy ; Botany ; Biology Nanoparticles: synthesis and applications ; Heavy metals in environment ; Geochemistry and Elemental Analysis
Authors: Antoine Bodin | Thomas Pietri | Caroline Celle | Jean‐Pierre Simonato
Source: Materials Chemistry Frontiers (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Fine-tuning of core–shell 1D nanoparticles for thermally conductive, yet electrically insulating, 3D-printable polymer nanocomposites Core–shell nanostructures are particularly interesting for the development of dual-property nanofillers for nanocomposites. Materials science ; Nanocomposite ; Electrically conductive ; Nanoparticle ; Electrical conductor ; Core (optical fiber) ; Shell (structure) ; Polymer ; Composite material ; Conductive polymer ; Nanotechnology Thermal properties of materials ; Carbon Nanotubes in Composites ; Additive Manufacturing and 3D Printing Technologies
Authors: Nikos Panagiotou | Dimitrios A. Evangelou | Manolis J. Manos | John C. Plakatouras | Anastasios J. Tasiopoulos
Source: Inorganic Chemistry (article, 2024-02-09)
Field: Chemistry — Inorganic Chemistry

Fine Tuning the Hydrophobicity of a New Three-Dimensional Cu<sup>2+</sup> MOF through Single Crystal Coordinating Ligand Exchange Transformations The synthesis, characterization, and single-crystal-to-single-crystal (SCSC) exchange reactions of a new 3D Cu<sup>2+</sup> MOF based on 5-aminoisophthalic acid (H<sub>2</sub>AIP), [Cu<sub>6</sub>(μ<sub>3</sub>-ΟΗ)<sub>3</sub>(ΑΙΡ)<sub>4</sub>(HΑΙΡ)]<sub><i>n</i></sub>·6<i>n</i>DMF·<i>n</i>H<sub>2</sub>O - <b>UCY-16</b>·6<i>n</i>DMF·<i>n</i>H<sub>2</sub>O, are reported. It exhibits a 3D structure based on two [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>]<sup>6+</sup> butterfly-like secondary building units, differing in their peripheral ligation, bridged through HAIP<sup>-</sup>/AIP<sup>2-</sup> ligands. This compound displays the capability to exchange the coordinating ligand(s) and/or guest solvent molecules through SCSC reactions. Interestingly, heterogeneous reactions of single crystals of <b>UCY-16</b>·6<i>n</i>DMF·<i>n</i>H<sub>2</sub>O with primary alcohols resulted not only in the removal of the lattice DMF molecules but also in an unprecedented structural alteration that involved the complete or partial replacement of the monoatomic bridging μ<sub>3</sub>-OH<sup>-</sup> anion(s) of the [Cu<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>]<sup>6+</sup> butterfly structural core by various alkoxy groups. Similar crystal-to-crystal exchange reactions of <b>UCY-16</b>·6<i>n</i>DMF·<i>n</i>H<sub>2</sub>O with long-chain aliphatic alcohols (C<sub><i>x</i></sub>H<sub>2<i>x</i>+1</sub>OH, <i>x</i> = 8-10, 12, 14, and 16) led to analogues containing fatty alcohols. Notably, the exchanged products with the bulkier alcohols <b>UCY-16/</b><i>n</i>-C<sub><i>x</i></sub>H<sub>2<i>x</i>+1</sub>OH·S' (<i>x</i> = 6-10, 12, 14, and 16) do not mix with H<sub>2</sub>O being quite stable in this solvent, in contrast to the pristine MOF, and exhibit a hydrophobic/superhydrophobic surface as confirmed from the investigation of their water contact angles and capability to remove hydrophobic pollutants from aqueous media. Chemistry ; Single crystal ; Ligand (biochemistry) ; Crystallography ; Characterization (materials science) ; Crystal structure ; Crystal (programming language) ; Nanotechnology ; Receptor Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Dendrimers and Hyperbranched Polymers
Authors: S. B. Umabharathi | Mohan Neetha | Gopinathan Anilkumar
Source: Topics in Current Chemistry (article, 2024-01-24)
Field: Chemistry — Organic Chemistry

Palladium N-Heterocyclic Carbene-Catalyzed Aminations: An Outline Chemistry ; Carbene ; Amination ; Catalysis ; Combinatorial chemistry ; Palladium ; Steric effects ; Context (archaeology) ; Organic chemistry ; Ligand (biochemistry) N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods
Authors: Yian Yin | Wu‐Ji Chen | Chunyan Liu | Mengmeng Zhang | Chang‐Gen Lin | Ryo Tsunashima | Haralampos N. Miras | Yu‐Fei Song
Source: Cell Reports Physical Science (article, 2024-06-18)
Field: Materials Science — Materials Chemistry

Manipulating the supramolecular assembly of γ-cyclodextrin and Anderson polyoxometalate hybrids through variations in remote functionality Understanding and controlling the primary interactions between molecule-based building blocks is of fundamental importance to design hierarchical supramolecular assemblies at the nanoscopic scale and to create potential functionality. Herein, we present how subtle changes of the remote functional groups of Anderson-type polyoxometalate hybrids can have significant influence on their molecular interactions upon complexation with γ-cyclodextrins, giving rise to supramolecular assemblies ranging from 3D square-plate-like frameworks to 1D inclusion-and-threading polyrotaxanes. The effects of the remote functionalities upon supramolecular associations are studied in solution using 1H-nuclear magnetic resonance (NMR), 2D NOESY NMR, isothermal titration calorimetry, and electrospray ionization mass spectroscopy and in solid state by single-crystal X-ray. Achiral fluorophores are incorporated into the structures of supramolecular complexes to assemble functional materials that exhibit circularly polarized luminescence. This work provides pathways for the fine-tuning of supramolecular self-assemblies at the molecular level and the design of multifunctional materials. Polyoxometalate ; Supramolecular chemistry ; Cyclodextrin ; Supramolecular assembly ; Nanotechnology ; Chemistry ; Materials science ; Crystallography ; Organic chemistry ; Catalysis ; Crystal structure Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Self-Assembly in Materials
Authors: Sebastian Buchmann | P. Stoop | Kim Roekevisch | Saumey Jain | Renee Kroon | Christian Müller | Mahiar Max Hamedi | Erica Zeglio | Anna Herland
Source: ACS Applied Materials & Interfaces (article, 2024-09-27)
Field: Materials Science — Polymers and Plastics

In Situ Functionalization of Polar Polythiophene-Based Organic Electrochemical Transistor to Interface In Vitro Models Organic mixed ionic-electronic conductors are promising materials for interfacing and monitoring biological systems, with the aim of overcoming current challenges based on the mismatch between biological materials and convectional inorganic conductors. The conjugated polymer/polyelectrolyte complex poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT/PSS) is, up to date, the most widely used polymer for in vitro or in vivo measurements in the field of organic bioelectronics. However, PEDOT/PSS organic electrochemical transistors (OECTs) are limited by depletion mode operation and lack chemical groups that enable synthetic modifications for biointerfacing. Recently introduced thiophene-based polymers with oligoether side chains can operate in accumulation mode, and their chemical structure can be tuned during synthesis, for example, by the introduction of hydroxylated side chains. Here, we introduce a new thiophene-based conjugated polymer, p(g<sub>4</sub>2T-T)-8% OH, where 8% of the glycol side chains are functionalized with a hydroxyl group. We report for the first time the compatibility of conjugated polymers containing ethylene glycol side chains in direct contact with cells. The additional hydroxyl group allows covalent modification of the surface of polymer films, enabling fine-tuning of the surface interaction properties of p(g<sub>4</sub>2T-T)-8% OH with biological materials, either hindering or promoting cell adhesion. We further use p(g<sub>4</sub>2T-T)-8% OH to fabricate the OECTs and demonstrate for the first time the monitoring of epithelial barrier formation of Caco-2 cells in vitro using accumulation mode OECTs. The conjugated polymer p(g<sub>4</sub>2T-T)-8% OH allows organic-electronic-based materials to be easily modified and optimized to interface and monitor biological systems. Materials science ; Surface modification ; Polythiophene ; In situ ; Electrochemistry ; Transistor ; Polar ; Nanotechnology ; Interface (matter) ; Optoelectronics ; Conductive polymer ; Chemical engineering ; Electrode ; Polymer ; Organic chemistry ; Physical chemistry ; Wetting ; Voltage ; Composite material ; Electrical engineering Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Sensor and Energy Harvesting Materials
Authors: Radhika Malav | Suman Yadav | Sriparna Ray
Source: Proceedings of the Indian National Science Academy (article, 2024-02-16)
Field: Chemistry — Organic Chemistry

Catalytic efficacy of Schiff base-palladium complexes in important C–C cross coupling reactions: a brief overview Palladium ; Catalysis ; Schiff base ; Coupling reaction ; Chemistry ; Coupling (piping) ; Polymer chemistry ; Organic chemistry ; Materials science ; Metallurgy Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Organoboron and organosilicon chemistry
Authors: Alex Ross | Xixi Guo | German A. Mercado Salazar | Sergio David García Schejtman | Jinane El‐Hage | Maxime Comtois‐Bona | Aidan J. MacAdam | Irene Guzmán‐Soto | Hiroki Takaya | Kevin Hu | Bryan Liu | Ryan Tu | Bilal Siddiqi | Erica Anderson | Marcelo Muñoz | Patricio Briones‐Rebolledo | Tianqin Ning | May Griffith | Benjamin Rotsein | Horacio Poblete | Jianyu Li | Marc Ruel | Erik J. Suuronen | Emilio I. Alarcón
Source: Advanced Functional Materials (article, 2024-04-23)
Field: Materials Science — Biomaterials

Multipurpose On‐the‐Spot Peptide‐Based Hydrogels for Skin, Cornea, and Heart Repair Abstract Bioinspired synthetic materials can be designed as reliable, cost‐effective, and fully controlled alternatives to natural biomaterials for treating damaged tissues and organs. However, several hurdles need to be overcome for clinical translation, particularly for biomaterials gelled in situ. These include the potential toxicity of chemical crosslinkers used in the materials' assembly or breakdown products they generate and the challenges of fine‐tuning the mechanical properties of the materials. Here, a minimalistic, adhesive soft material is developed by screening hundreds of potential formulations of self‐assembling, custom‐designed collagen‐like peptide sequences for the in situ formation of tissue‐bonding 3D hydrogels. Nine promising formulations for tissue repair are identified using a low‐volume and rapid combinatory screening approach. It is shown that simply varying the ratio of the two key components promotes adhesion and fine‐tunes the material's mechanical properties. The materials' skin and heart repair capabilities are assessed in vitro and clinically relevant animal models. The materials are also tested for corneal applications using ex vivo pig cornea models complemented by in vitro cell compatibility assays. Self-healing hydrogels ; Materials science ; Biomedical engineering ; Ex vivo ; Cornea ; Nanotechnology ; Tissue engineering ; Soft materials ; In situ ; Adhesive ; In vitro ; Chemistry ; Polymer chemistry ; Biology ; Biochemistry Collagen: Extraction and Characterization ; Silk-based biomaterials and applications ; Hydrogels: synthesis, properties, applications
Authors: Jinguo Long | Ting Wang | Hongyu Zhong | Mingdong Jiao | Bill Morandi | Lin He | Gui‐Juan Cheng | Xianjie Fang
Source: Angewandte Chemie International Edition (article, 2024-12-23)
Field: Chemistry — Inorganic Chemistry

One‐Step Process for the Regiodivergent Double Hydrocyanation of 1,3‐Butadiene In industry, the two important nitrile starting materials, adiponitrile and 2-methylglutaronitrile, are primarily manufactured through the well-known DuPont process, which consists of a tandem sequence including first hydrocyanation, isomerization and second hydrocyanation. However, this mature process has the intrinsic defects of step efficiency and regioselectivity. Herein, we report a nickel-catalyzed divergent, one-step double hydrocyanation of 1,3-butadiene to produce either adiponitrile or 2-methylglutaronitrile in high regioselectivity. The key to this success lies in the highly tunable binding pockets of the bidentate phosphite ligands, which creates a geometrically defined coordination space around the nickel center. The first hydrocyanation that produces either the linear or branched alkenyl nitrile was identified as the selectivity-determining step. Organometallic studies confirm the formation of well-defined diphosphite nickel diene complexes in solution, and the role of ligands in dictating regioselectivity was further rationalized by DFT computations. This result provides the first example of a highly selective nickel-catalyzed synthesis of adiponitrile and 2-methylglutaronitrile from butadiene, and it also represents a high-level of catalyst-controlled regioselectivity via the fine-tuning of ligand pocket geometry. Hydrocyanation ; Regioselectivity ; Chemistry ; Nitrile ; Nickel ; Stereochemistry ; Combinatorial chemistry ; Catalysis ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Synthetic Organic Chemistry Methods ; Organometallic Complex Synthesis and Catalysis
Authors: Muhammad Sohail Ahmad | Yuta Nishina | Yusuke Inomata | Andri Haridiansyah | Tetsuya Kida
Source: The Journal of Physical Chemistry C (article, 2024-03-28)
Field: Materials Science — Materials Chemistry

Synergistic Functionalization of Graphene Oxide: Electrochemical Devices and Ritter Catalysis Graphene oxide (GO) is a versatile platform with unique properties that find broad applications in electronics and catalysis. The double covalent functionalization of GO under mild conditions offers an efficient approach to fine-tune its properties. Herein, we present an approach involving the ring-opening reaction of epoxide groups of the GO by amines, followed by subsequent covalent linking of the sulfonated functionalized polymer. Characterization of the functionalized GO via various techniques confirms the successful surface functionalization with diverse functional groups. The mild condition employed preserves the structure and properties of GO, which demonstrates that GO can be tailored for specific applications, such as a platform for electrochemical devices and a solid acid catalyst for the Ritter reaction. Surface modification ; Graphene ; Oxide ; Catalysis ; Electrochemistry ; Nanotechnology ; Ritter reaction ; Chemistry ; Materials science ; Electrode ; Organic chemistry Graphene research and applications ; Advancements in Battery Materials ; Supercapacitor Materials and Fabrication
Authors: Dalal K. Thbayh | Dóra Mentes | Zsanett R. Boros | Marcin Palusiak | László Farkas | Béla Viskolcz | Béla Fiser
Source: Molecules (article, 2024-12-21)
Field: Chemistry — Organic Chemistry

α-Tocopherol and Trolox as Effective Natural Additives for Polyurethane Foams: A DFT and Experimental Study In this work, α-tocopherol and trolox were studied as compounds that have high biological activity. α-Tocopherol is considered a food additive because the refining process of vegetable oils causes the depletion of this vitamin, and thus, its inclusion is required to keep them from oxidizing. Computational tools have determined the antioxidant activity of these additives. The geometries of the studied molecules were optimized using two density functional methods, including M05-2X and M06-2X, in combination with the 6-311++G(2d,2p) basis set. The results indicated that when comparing the antioxidant activity of α-tocopherol and trolox, they were very similar to each other, but α-tocopherol had an antioxidant activity slightly higher, around 1.2 kJ/mol, than trolox. Thus, these additives can be used as polymer additives to protect materials from free-radical-induced stress. To test their applicability in polymeric formulations, flexible polyurethane foams were prepared with varying α-tocopherol ratios and NCO indices (1.0 and 1.1). Increasing the α-tocopherol content reduced the compressive force and altered the mechanical properties, likely due to its presence in the foam structure. This additive not only fine-tuned the mechanical properties but also provided antioxidant effects, enabling multiple enhancements in polymeric products with a single additive. Trolox ; Antioxidant ; Tocopherol ; Polyurethane ; Vitamin E ; Oxidizing agent ; Chemistry ; Organic chemistry ; Chemical engineering ; Materials science ; Antioxidant capacity Free Radicals and Antioxidants ; Polymer composites and self-healing ; Polymer Science and PVC
Authors: Omar Mohammad Shafi | Saurabh Phadnis | Un Hou Chan | Mohan Edirisinghe | Francis Brako
Source: Macromolecular Materials and Engineering (article, 2024-03-03)
Field: Materials Science — Polymers and Plastics

High Dose Progesterone Loaded PCL‐Polysorbate 80 Transdermal Fibers for Potential Application in Gynecological Oncology Abstract Progesterone (P4), commonly administered in high doses for endometrial cancer palliative management, has limitations in current delivery systems. This preliminary in vitro drug release study introduces electrospun patches to offer a new perspective on P4 delivery. The study aimed to assess the influence of the surfactant polysorbate 80 (PS80) on the release of P4 from polycaprolactone (PCL) fibers. The PS80 effects are examined to inform the fine‐tuning of the fibre generation process. Patches developed, PCL wet (with PS80) and PCL dry (without PS80), showed encapsulation efficiencies of 76% and 42%, respectively. The dose levels studied are 6.1 mg for PCL wet and 4.4 mg for PCL dry samples. Molecular studies show that higher surfactant levels improved P4‐polymer mixing, enhancing dissolution and release rates. Patches with PS80 released 66% of the drug in 17 h, while those without released only 51%. Release data best fit the Weibull model, showcasing promise for these patches in transdermal P4 delivery. This study offers a non‐invasive option compared to traditional methods and underscores the need for further research to confirm the patches' clinical effectiveness for potential use in gynecological oncology. Transdermal ; Materials science ; Gynecologic oncology ; Biomedical engineering ; Polyvinyl alcohol ; Pharmacology ; Oncology ; Internal medicine ; Medicine ; Composite material Polymer Nanocomposite Synthesis and Irradiation ; Electrospun Nanofibers in Biomedical Applications ; Nanoparticle-Based Drug Delivery
Authors: Zhou‐An Xia | Mingming Yao | Shiyin Wang | Daojie Yang | Ziyuan Wang | Ruiya Wu | Shitong Zhang | Haichao Liu | Bing Yang
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Tailoring pyrene excimer luminescence <i>via</i> controlled sulfur oxidation Manipulation of the oxidation degree of sulfur is carried out to synthesize sulfide-, sulfoxide- and sulfone-substituted pyrenes, fine-tune the electronic effect and stiffness of the molecules, and obtain optimal luminous efficiency of the excimers. Sulfur ; Sulfone ; Pyrene ; Sulfoxide ; Luminescence ; Excimer ; Sulfide ; Materials science ; Photochemistry ; Molecule ; Organic chemistry ; Polymer chemistry ; Fluorescence ; Optoelectronics ; Chemistry ; Optics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Molecular Sensors and Ion Detection
Authors: Yibo Wang | Cong Zhang | Mingqi Li | Xiaohui Wang
Source: Fundamental Research (article, 2024-09-27)
Field: Chemistry — Spectroscopy

Optimizing ligand-receptor binding thermodynamics and kinetics: The role of Terahertz wave modulation in molecular recognition Precision control over ligand-receptor recognition is critical in biochemistry and pharmacology. Traditional methods that alter reaction environments have limitations in fine-tuning the thermodynamic and kinetic aspects of biochemical reactions within biological systems. The advent of terahertz wave technology represents a significant breakthrough, providing a refined approach to modulating ligand-receptor interactions. This perspective explores the cutting-edge potential of terahertz waves in refining ligand-receptor recognition, featuring their innovative application in modulating neuronal functions. The capabilities of terahertz technology to selectively influence molecular interactions are discussed, highlighting its transformative potential for advancing therapeutic strategies and deepening our understanding of biological mechanisms. Kinetics ; Terahertz radiation ; Thermodynamics ; Receptor–ligand kinetics ; Modulation (music) ; Chemistry ; Chemical physics ; Materials science ; Statistical physics ; Physics ; Physical chemistry ; Optoelectronics ; Quantum mechanics ; Acoustics Analytical Chemistry and Chromatography ; Nicotinic Acetylcholine Receptors Study ; Psychedelics and Drug Studies
Authors: R. M. Mironenko | O. B. Belskaya | Evgeniya A. Raiskaya | Alexey B. Arbuzov | O. A. Kokhanovskaya | O. A. Knyazheva | V. L. Yurpalov | T. I. Gulyaeva | М. В. Тренихин | В. А. Лихолобов
Source: Catalysis Letters (article, 2024-06-26)
Field: Materials Science — Materials Chemistry

Effect of the Surface Functionality of Nanoglobular Carbon Altered by its Thermal Treatment on the Formation and Performance of the Pd/NGC Hydrogenation Catalyst It was established that the surface functionality of nanoglobular carbon (NGC) can be effectively altered by treatment at temperatures of 573 – 1173 K in an inert atmosphere, without affecting the structure and morphology of the material as a whole. The destruction and loss of surface oxygen groups occurs as a result of this treatment, which is accompanied by a decrease in the concentration of paramagnetic centers. At a temperature of 1173 K, a restructuring and “smoothing” of the carbon surface apparently takes place, which is expressed by annealing of defects (sources of EPR signal). It was found that changes in the surface functionality of NGC affect the reducibility of supported palladium precursor and the formation of palladium nanoparticles, without causing changes in palladium dispersion state. The study of the obtained Pd/NGC catalysts in the practically important hydrogenation of 4-nitrobenzoic acid ethyl ester and furfural showed that thermal pre-treatment of the support affects the catalytic performance in these reactions. It is important that varying temperature of such pre-treatment over a fairly wide range, which has a significant impact on the functionality of the support surface, leads to only relatively small changes in the activity and selectivity of the resulting catalysts. In this regard, thermal pre-treatment of carbon support should be considered as an approach to fine tune the performance of carbon-supported palladium catalysts. Catalysis ; Organometallic chemistry ; Chemistry ; Carbon fibers ; Thermal ; Heterogeneous catalysis ; Thermal treatment ; Chemical engineering ; Organic chemistry ; Composite number ; Thermodynamics ; Composite material ; Materials science ; Physics Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysts for Methane Reforming