jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Suhui Liu | Xiaomin Li | Xiaoqing Wang | Ye Li | Feifei Zhang | Libo Li | Jinping Li | Jiangfeng Yang
Source: Chem & Bio Engineering (article, 2024-01-04)
Field: Chemistry — Inorganic Chemistry

Construction of a Ti-Based Bimetallic Metal–Organic Framework Using a One-Pot Method for Efficient C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> and C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation Titanium (Ti)-based metal-organic frameworks (Ti-MOFs) have attracted intensive research attention due to their low toxicity and high abundance of titanium. However, limited by the high reactivity of titanium species in the reaction system, the construction of Ti-MOFs still faces great challenges. Herein, we successfully introduced Ti into MOF-74 using a one-pot method. Powder X-ray diffraction (PXRD) combined with X-ray photoelectron spectroscopy (XPS) and inductively coupled plasma (ICP) spectroscopy confirmed that the Ti(IV) ions were uniformly inserted into the MOF-74 structure. Our scanning electron microscopy (SEM)/energy-dispersive spectrometry (EDS) analysis showed that the Ti content was up to 44% with good sample homogeneity. The adsorption selectivity of Ti<sub>0.44</sub>/Ni<sub>0.56</sub>-MOF-74 at 1.0 bar and 298 K for C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> and C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> (50/50, v/v) mixtures was 4.9 and 6.8, respectively, which are higher than that of pristine Ni-MOF-74. The results of our breakthrough simulation experiments revealed that the adsorption and separation performances of Ti<sub>0.44</sub>/Ni<sub>0.56</sub>-MOF-74 were greatly improved. This study provided insights for the construction of Ti-based bimetallic MOFs used for the separation of light hydrocarbons. Bimetallic strip ; X-ray photoelectron spectroscopy ; Titanium ; Materials science ; Scanning electron microscope ; Adsorption ; Metal ; Reactivity (psychology) ; Powder diffraction ; Selectivity ; Spectroscopy ; Energy-dispersive X-ray spectroscopy ; Metal-organic framework ; Analytical Chemistry (journal) ; Chemical engineering ; Nuclear chemistry ; Catalysis ; Crystallography ; Metallurgy ; Physical chemistry ; Chemistry ; Organic chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Catalytic Processes in Materials Science
Authors: Sichen Song | Xin Yao | Chenguang Wang | Changquan Calvin Sun | Ronald A. Siegel
Source: Journal of Pharmaceutical Sciences (article, 2024-04-28)
Field: Materials Science — Materials Chemistry

Delaying the first nucleation event of amorphous solid dispersions above the polymer overlap concentration (c*): PVP and PVPVA in posaconazole Posaconazole ; Nucleation ; Amorphous solid ; Polymer ; Materials science ; Chemical engineering ; Chemistry ; Crystallography ; Organic chemistry ; Itraconazole ; Antifungal ; Composite material ; Medicine Crystallization and Solubility Studies ; Drug Solubulity and Delivery Systems ; Surfactants and Colloidal Systems
Authors: Kazuki Fukushima | Shunta Hakozaki | Rongjian Lang | Yuta Haga | So Nakai | Atsushi Narumi | Masaru Tanaka | Takashi Kato
Source: Polymer Journal (article, 2024-01-12)
Field: Materials Science — Biomaterials

Hydrolyzable and biocompatible aliphatic polycarbonates with ether-functionalized side chains attached via amide linkers Abstract Investigating polymer degradation mechanisms enables the establishment of controlled degradation techniques for the development of sustainable and recyclable materials. Hydration can play a crucial role in controlling the hydrolysis of polymers. Here, ether-functionalized aliphatic polycarbonates (APCs) susceptible to nonenzymatic hydrolysis were developed for application as biocompatible biomaterials. Among these polymers, those grafted with 2-methoxyethyl and 3-methoxypropyl side chains via an amide group were highly wettable, strongly interacted with water, and experienced almost complete hydrolysis in phosphate-buffered saline over 30 days, which was attributed to the hydrogen bonding between water and the amide/methoxy groups. In an alkaline medium, all amide-linked APCs were completely hydrolyzed within 30 days, regardless of the side-chain structure. In contrast, the nonamide-linked APCs and a representative aliphatic polycarbonate, poly(trimethylene carbonate), were minimally degraded in the buffer and experienced &lt;31% degradation under alkaline conditions. The APC with the 3-methoxypropyl side chain exhibited platelet adhesion properties comparable to those of ether-functionalized APCs previously reported as blood-compatible polymers. Thus, our results demonstrate the effects of an amide linker on the hydration and hydrolytic properties of APCs and can help establish new design concepts for degradable polymers. Hydrolysis ; Chemistry ; Amide ; Polymer chemistry ; Ether ; Polymer ; Side chain ; Hydrolytic degradation ; Polycarbonate ; Organic chemistry biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Antimicrobial agents and applications
Authors: Shuixiang Zou | Cheng Chen | Zhengyi Di | Yuanzheng Liu | Hengbo Li | Yashuang Li | Rajamani Krishna | Daqiang Yuan | Mingyan Wu
Source: Separation and Purification Technology (article, 2024-08-25)
Field: Chemistry — Inorganic Chemistry

Stepwise customizing pore environments of C2H2-selective frameworks for one-step C2H4 acquisition from ternary mixtures Ternary operation ; Chemical engineering ; Chemistry ; Process engineering ; Nanotechnology ; Materials science ; Computer science ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Hydrogen Storage and Materials ; Membrane Separation and Gas Transport
Authors: Kavipriyah M.N. | S. Surender | S. Balakumar
Source: Electrochimica Acta (article, 2024-08-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploring 1T/2H MoS2 Nano Coral Structured Active Electrodes for Enhanced Pseudocapacitive Supercapacitors: A Rigorous Evaluation and Characterization Study Supercapacitor ; Characterization (materials science) ; Materials science ; Nanotechnology ; Nano- ; Electrode ; Electrochemistry ; Chemistry ; Composite material Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Mario Alberto Hidrogo-Rico | N. Nedev | Paul Horley | M.I. Mendivil | Jhonathan Castillo-Sáenz | Edgar Martínez-Guerra | Emilio J. Juárez‐Pérez | F. S. Aguirre‐Tostado | Arturo Susarrey‐Arce | E. Martı́nez
Source: ACS Omega (article, 2024-12-30)
Field: Materials Science — Polymers and Plastics

Tailoring Nickel Oxide Thin Films: Comparative Study of Oxidizing Agents in Thermal and Plasma-Enhanced Atomic Layer Deposition Thermal atomic layer deposition (TALD) and plasma atomic layer deposition (PALD) were used for producing thin NiO <sub><i>x</i></sub> films from nickel(II) acetylacetonate Ni(acac)<sub>2</sub>, employing different oxidizing agents (deionized water H<sub>2</sub>O, ozone O<sub>3</sub>, and molecular oxygen O<sub>2</sub>). The films were deposited at 300 °C (TALD) and 220 °C (PALD) over glass substrates; their physical and chemical properties were considerably influenced by the choice of oxidizing agents. In particular, ALD(H<sub>2</sub>O) samples had a low growth per cycle (GPC) and a high concentration of defects. The best NiO <sub><i>x</i></sub> parameters were achieved with PALD(O<sub>2</sub>), featuring high GPC (0.07 nm/cycle), high optical transparency in the visible region, electrical resistivity (1.18 × 10<sup>4</sup> Ω·cm), good carrier concentration (8.82 × 10<sup>13</sup> cm<sup>-3</sup>), and common mobility (5.98 cm<sup>2</sup>/V·s). The resulting NiO <sub><i>x</i></sub> films are polycrystalline and homogeneous in thickness and composition. According to ultraviolet photoelectron spectroscopy (UPS), work function φ and the valence band maximum <i>E</i> <sub>V</sub> can be tuned by the choice of the coreactant employed, with variations of up to ∼1 eV between TALD and PALD synthesis. Our results suggest that PALD permits one to achieve a better energy band alignment of NiO <sub><i>x</i></sub> and CsFAMAPbBrI perovskite, which is promising for solar cell applications. Oxidizing agent ; Atomic layer deposition ; Nickel ; Layer (electronics) ; Materials science ; Deposition (geology) ; Plasma ; Thin film ; Oxide ; Chemical engineering ; Nickel oxide ; Layer by layer ; Nanotechnology ; Metallurgy ; Chemistry ; Organic chemistry ; Geology Transition Metal Oxide Nanomaterials ; ZnO doping and properties ; Ga2O3 and related materials
Authors: Haiping Zhou | Kechang Li | Qingqing Pan | Zhong‐Min Su | Rui Wang
Source: Nanomaterials (review, 2024-11-27)
Field: Materials Science — Materials Chemistry

Application of Nanocomposites in Covalent Organic Framework-Based Electrocatalysts In recent years, the development of high-performance electrocatalysts for energy conversion and environmental remediation has become a topic of great interest. Covalent organic frameworks (COFs), linked by covalent bonds, have emerged as promising materials in the field of electrocatalysis due to their well-defined structures, high specific surface areas, tunable pore structures, and excellent acid-base stability. However, the low conductivity of COF materials often limits their intrinsic electrocatalytic activity. To enhance the catalytic performance of COF-based catalysts, various nanomaterials are integrated into COFs to form composite catalysts. The stable and tunable porous structure of COFs provides an ideal platform for these nanomaterials, leading to improved electrocatalytic activity. Through rational design, COF-based composite electrocatalysts can achieve synergistic effects between nanomaterials and the COF carrier, enabling efficient targeted electrocatalysis. This review summarizes the applications of nanomaterial-incorporated COF-based catalysts in hydrogen evolution, oxygen evolution, oxygen reduction, carbon dioxide reduction, and nitrogen reduction. Additionally, it outlines design principles for COF-based composite electrocatalysis, focusing on structure-activity relationships and synergistic effects in COF composite nanomaterial electrocatalysts, as well as challenges and future perspectives for next-generation composite electrocatalysts. Nanocomposite ; Covalent bond ; Materials science ; Covalent organic framework ; Nanotechnology ; Chemical engineering ; Chemistry ; Organic chemistry ; Engineering Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Janis M. Zakis | Antonis M. Messinis | Lutz Ackermann | Tomáš Šmejkal | Joanna Wencel‐Delord
Source: Advanced Synthesis & Catalysis (article, 2024-03-21)
Field: Chemistry — Inorganic Chemistry

Air‐Stable Bis‐Cyclometallated Iridium Catalysts for Ortho‐Directed C(<i>sp</i><sup>2</sup>)−H Borylation Abstract We report a class of isolable bis‐cyclometallated iridium precatalysts (ImIr) and their use in regioselective ortho −C−H borylation of aromatic, heteroaromatic, acrylic, and aliphatic systems. The catalysts consist of two imine ligands and an acetate coordinated to an iridium (III) center. The isolable character of ImIr warrants its compatibility with high‐throughput experimentation, a prerequisite for applications in late‐stage functionalization (LSF) of complex substrates. Initial mechanistic studies point towards an inner‐sphere mechanism involving bis‐cyclometallated species shedding light on the general mechanistic understanding of ortho ‐selective C−H borylations. Borylation ; Chemistry ; Iridium ; Catalysis ; Medicinal chemistry ; Photochemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Organoboron and organosilicon chemistry
Authors: Nicolò Bassi | Xiushang Xu | Feifei Xiang | Nils Krane | Carlo A. Pignedoli | Akimitsu Narita | Román Fasel | Pascal Ruffieux
Source: Communications Chemistry (article, 2024-11-21)
Field: Materials Science — Materials Chemistry

Preferential graphitic-nitrogen formation in pyridine-extended graphene nanoribbons Graphene nanoribbons (GNRs), nanometer-wide strips of graphene, have garnered significant attention due to their tunable electronic and magnetic properties arising from quantum confinement. A promising approach to manipulate their electronic characteristics involves substituting carbon with heteroatoms, such as nitrogen, with different effects predicted depending on their position. In this study, we present the extension of the edges of 7-atom-wide armchair graphene nanoribbons (7-AGNRs) with pyridine rings, achieved on a Au(111) surface via on-surface synthesis. High-resolution structural characterization confirms the targeted structure, showcasing the predominant formation of carbon-nitrogen (C-N) bonds (over 90% of the units) during growth. This favored bond formation pathway is elucidated and confirmed through density functional theory (DFT) simulations. Furthermore, an analysis of the electronic properties reveals metallic behavior due to charge transfer to the Au(111) substrate accompanied by the presence of nitrogen-localized states. Our results underscore the successful formation of C-N bonds on the metal surface, providing insights for designing new GNRs that incorporate substitutional nitrogen atoms to precisely control their electronic properties. Graphene ; Graphene nanoribbons ; Heteroatom ; Materials science ; Chemical physics ; Electronic structure ; Density functional theory ; Nanotechnology ; Carbon fibers ; Computational chemistry ; Chemistry ; Composite number Graphene research and applications ; Advancements in Battery Materials ; Surface and Thin Film Phenomena
Authors: Ainhoa Gonzalez‐Pujana | Manoli Igartúa | Rosa Marı́a Hernández | Edorta Santos‐Vizcaíno
Source: European Journal of Pharmaceutical Sciences (review, 2024-07-20)
Field: Materials Science — Biomaterials

Laponite nanoclays for the sustained delivery of therapeutic proteins Protein therapeutics hold immense promise for treating a wide array of diseases. However, their efficacy is often compromised by rapid degradation and clearance. The synthetic smectite clay Laponite emerges as a promising candidate for their sustained delivery. Despite its unique properties allow to load and release proteins mitigating burst release and extending their effects, precise control over Laponite-protein interactions remains challenging since it depends on a complex interplay of factors whose implication is not fully understood yet. The aim of this review article is to shed light on this issue, providing a comprehensive discussion of the factors influencing protein loading and release, including the physicochemical properties of the nanoclay and proteins, pH, dispersion buffer, clay/protein concentration and Laponite degradation. Furthermore, we thoroughly revise the array of bioactive proteins that have been delivered from formulations containing the nanoclay, highlighting Laponite-polymer nanocomposite hydrogels, a promising avenue currently under extensive investigation. Self-healing hydrogels ; Nanotechnology ; Materials science ; Nanocomposite ; Degradation (telecommunications) ; Controlled release ; Chemistry ; Computer science ; Polymer chemistry Clay minerals and soil interactions ; Hydrogels: synthesis, properties, applications
Authors: Darío Puchán Sánchez | Pierre Josse | Nathan Plassais | Geonwoo Park | Yeasin Khan | Yejoo Park | Mathilde Seinfeld | Antoine Guyard | Magali Allain | Frédéric Gohier | Lhoussain Khrouz | Dominik Lungerich | Hyun S. Ahn | Bright Walker | Cyrille Monnereau | Clément Cabanetos | Tangui Le Bahers
Source: Chemistry - A European Journal (article, 2024-03-18)
Field: Materials Science — Materials Chemistry

Driving Triplet State Population in Benzothioxanthene Imide Dyes: Let's twist! Controlling the formation of photoexcited triplet states is critical for many (photo)chemical and physical applications. Here, we demonstrate that a permanent out-of-plane distortion of the benzothioxanthene imide (BTI) dye promotes intersystem crossing by increasing spin-orbit coupling. This manipulation was achieved through a subtle chemical modification, specifically the bay-area methylation. Consequently, this simple yet efficient approach expands the catalog of known molecular engineering strategies for synthesizing heavy atom-free, dual redox-active, yet still emissive and synthetically accessible photosensitizers. Imide ; Twist ; State (computer science) ; Population ; Photochemistry ; Chemistry ; Computer science ; Polymer chemistry ; Mathematics ; Medicine ; Environmental health ; Geometry Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Nanoplatforms for cancer theranostics
Authors: Priyavrat Vashisth | Cameron Smith | Dhanush L. Amarasekara | Gaya S. Dasanyake | Gagandeep Singh | Claylee M. Chism | Christine M. Hamadani | Tanveer Shaikh | Noah Grovich | B. Giovana Gamboa | Nicholas C. Fitzkee | Nathan I. Hammer | Eden E. L. Tanner
Source: ACS Applied Nano Materials (article, 2024-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Choline Carboxylic Acid Ionic Liquid-Stabilized Anisotropic Gold Nanoparticles for Photothermal Therapy Gold nanoparticles (AuNPs) are commonly used in cancer research due to their unique physical and optical properties. However, current AuNP synthesis methods often involve cytotoxic cationic surfactants like cetyltrimethyl ammonium bromide (CTAB). Tedious CTAB replacement methodologies have been used to increase the biocompatibility, further increasing the complexity of synthesizing biocompatible AuNPs limiting their biomedical applications. To address this issue, we explore cholinium decanoate (CADA) ionic liquid (IL) as a biocompatible stabilizing agent by replacing CTAB using a simple modified seeded method for synthesizing anisotropic AuNPs for photothermal therapy of triple-negative breast cancer cells (MDA-MB-231). The prepared CADA AuNPs showed quasi-spherical morphology, confirmed by transmission electron microscopy (TEM) and a broad plasmonic absorption band using Vis-NIR spectroscopy. CADA AuNPs exhibited excellent in-vitro biocompatibility with both MCF-10A (healthy human mammary cells) and MDA-MB-231 cells. We evaluate their in-vitro photothermal efficacy against MDA-MB-231 cancer cells, demonstrating significant cell death even at low AuNP concentration (20 μg/mL), low laser power density (0.6 W/cm<sup>2</sup>, 808 nm continuous laser), and short irradiation time of 5 minutes, primarily through apoptosis. Overall, this work represents the first effort in using a modified seeded method for synthesizing biocompatible IL-based anisotropic AuNPs for photothermal therapy, offering a promising avenue for future cancer treatment research using ILs. Photothermal therapy ; Colloidal gold ; Nanoparticle ; Ionic liquid ; Carboxylic acid ; Ionic bonding ; Chemistry ; Nanotechnology ; Materials science ; Biophysics ; Polymer chemistry ; Organic chemistry ; Ion ; Catalysis ; Biology Gold and Silver Nanoparticles Synthesis and Applications ; Photoacoustic and Ultrasonic Imaging ; Nanoparticles: synthesis and applications
Authors: Peiyao Liu | Yiyang Li | Zhenjie Ni | Cun‐Yue Guo
Source: Microstructures (article, 2024-10-24)
Field: Materials Science — Materials Chemistry

Recent advances in preparation, thermoelectric properties, and applications of organic small molecule/SWCNT composites Thermoelectric materials allow for direct conversion between heat and electricity, realizing a facile and effective utilization of waste heat and thermal management. Semiconductive organic small molecules (OSMs) have attracted ever-increasing attention in thermoelectric device fabrication due to their simplicity in synthesis, well-defined molecular structure, low toxicity, and low thermal conductivity (κ ). As a unique one-dimensional (1D) carbon allotrope, single-walled carbon nanotubes (SWCNTs) have excellent structural and electrical properties. Thermoelectric OSM/SWCNT composites with both high conductivity and low thermal conductivity have drawn great attention among researchers and achieved remarkable progress. However, current research fails to give a clear relationship between the structure of small molecules and their thermoelectric performance, and the microscopic mechanisms governing the formation of OSM/SWCNT composites are not well understood as well. These, in all, need further investigation to guide future development in preparing high-performance OSM/SWCNT thermoelectric composites. In this review, we introduce recent advancements in thermoelectric OSM/SWCNT composites, providing a detailed overview of optimization strategies for small molecule dopants. Also summarized in this review article is the design of OSMs from various aspects, including energy level regulation, side chain modification, selection of substituents, etc. Different preparation methods and applications of OSM/SWCNT composites are introduced in detail. Finally, outlooks on the future development of OSM/SWCNT composite thermoelectric materials are pointed out. Materials science ; Thermoelectric effect ; Composite material ; Organic molecules ; Nanotechnology ; Thermoelectric materials ; Molecule ; Chemistry ; Thermal conductivity ; Organic chemistry Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Transition Metal Oxide Nanomaterials
Authors: Irene Lepori | Yavuz Oz | Jungkyun Im | N. Ghosh | Mohuya Paul | Ulrich S. Schubert | Stefano Fedeli
Source: Reactions (article, 2024-03-04)
Field: Chemistry — Organic Chemistry

Bioorthogonal “Click” Cycloadditions: A Toolkit for Modulating Polymers and Nanostructures in Living Systems “Click” cycloadditions offer effective pathways for the modifications of supramolecular structures, polymers, and nanomaterials. These reactions include bioorthogonal mechanisms that do not interfere with the biological processes, providing a type of chemistry to operate directly in living environments, such as cells and animals. As a result, the “click” cycloadditions represent highly and selective tools for tailoring the properties of nanomedicine scaffolds, expanding the efficacy of multiple therapeutic strategies. We focused this minireview on the bioorthogonal cycloadditions, presenting an insight into the strategies to modify nanostructured biomedical scaffolds inside living systems. We organized the contributions according to the three main mechanisms of “click” cycloadditions: strain-promoted sydnone-alkyne, tetrazine ligation, and strain-promoted [3+2] azido-alkyne. Bioorthogonal chemistry ; Click chemistry ; Nanostructure ; Polymer ; Computer science ; Nanotechnology ; Chemistry ; Materials science ; Combinatorial chemistry ; Organic chemistry Click Chemistry and Applications ; Advanced biosensing and bioanalysis techniques ; Monoclonal and Polyclonal Antibodies Research
Authors: Perihan A. Elzahhar | Rebecca Orioli | Nayera W. Hassan | Silvia Gobbi | Federica Belluti | Hala F. Labib | Ahmed F. El‐Yazbi | Rasha A. Nassra | Ahmed S.F. Belal | Alessandra Bisi
Source: European Journal of Medicinal Chemistry (article, 2024-01-10)
Field: Chemistry — Organic Chemistry

Chromone-based small molecules for multistep shutdown of arachidonate pathway: Simultaneous inhibition of COX-2, 15-LOX and mPGES-1 enzymes Chemistry ; Chromone ; Enzyme ; Pharmacology ; In silico ; Docking (animal) ; Biochemistry ; Stereochemistry Synthesis and biological activity ; Inflammatory mediators and NSAID effects ; Bioactive Compounds and Antitumor Agents