jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Andres Arias-Arana | Luis Palomino | Miguel Gakiya-Teruya | Pamela Areche-Vargas | Anand Ramamurthi | Juan Carlos F. Rodríguez-Reyes
Source: Nano Biomedicine and Engineering (review, 2022-05-12)
Field: Materials Science — Materials Chemistry

Nanoparticles as Carriers in Medical Applications: A Review Focusing on the Preparation and Use of Nanoparticles in Tissue Regeneration Nanotechnology and its applications to medicine, known as nanomedicine, involve a wide use of nanomaterials to stimulate and guide the regenerative properties of cells. In particular, tissue regeneration can be promoted by enabling a controlled release of therapeutic agents, which can be done using nanoparticles. In this review article, the fundamentals of tissue regeneration are discussed, focusing on epithelial tissue, to demonstrate the importance of delivering therapeutic agents in an efficient, sustained and localized manner. Then, the methods for synthesizing metallic and polymeric nanoparticles are described. While polymeric nanoparticles can be loaded with an agent during synthesis, metallic nanoparticles must first be synthesized to later interact with therapeutic agents. This interaction can be fine-tuned by functionalizing metallic nanoparticles with organic molecules, which results in a more controlled attachment.This review highlights the importance of choosing the appropriate method of synthesis and functionalization, which must be designed considering both the type of tissue to regenerate and the nature of the agent to be transported. Nanomedicine ; Regeneration (biology) ; Nanoparticle ; Nanotechnology ; Regenerative medicine ; Materials science ; Nanomaterials ; Surface modification ; Chemistry ; Cell biology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Electrospun Nanofibers in Biomedical Applications
Authors: Nicole Drossis | Marc A. Gauthier | Hendrick W. de Haan
Source: Materials Today Chemistry (article, 2022-04-04)
Field: Materials Science — Surfaces, Coatings and Films

Elucidating the mechanisms of the molecular sieving phenomenon created by comb-shaped polymers grafted to a protein – a simulation study Polymer ; Steric effects ; Ethylene glycol ; Molecule ; Chemistry ; Nanotechnology ; Methacrylate ; Materials science ; Chemical engineering ; Copolymer ; Organic chemistry Polymer Surface Interaction Studies ; Microfluidic and Capillary Electrophoresis Applications ; Protein purification and stability
Authors: Yifu Chen | Bo Jing | Jie Li | Junbo Gong
Source: Materials Chemistry Frontiers (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Four strategies towards customized rainbow/white light emission from a series of organic charge-transfer cocrystals and their heterostructures Four progressive strategies were proposed based on a series of structurally isomorphic charge-transfer cocrystals for a broad and fine tuning of luminescence towards rainbow/white light emission in crystals. Charge (physics) ; Rainbow ; Materials science ; Heterojunction ; Series (stratigraphy) ; Nanotechnology ; Photochemistry ; Optoelectronics ; Chemistry ; Physics ; Optics ; Geology ; Paleontology ; Quantum mechanics Luminescence and Fluorescent Materials ; Crystallography and molecular interactions ; Molecular Sensors and Ion Detection
Authors: Abdul Qaiyum Ramle | Edward R. T. Tiekink | Wan Jefrey Basirun
Source: Coordination Chemistry Reviews (article, 2022-06-22)
Field: Materials Science — Materials Chemistry

Synthesis, functionalization and coordination chemistry of dibenzotetraaza[14]annulenes Chemistry ; Annulene ; Porphyrin ; Coordination complex ; Combinatorial chemistry ; Surface modification ; Nanotechnology ; Metal ions in aqueous solution ; Core (optical fiber) ; Metal ; Computational chemistry ; Photochemistry ; Organic chemistry ; Physical chemistry Porphyrin and Phthalocyanine Chemistry ; Synthesis and Properties of Aromatic Compounds ; Photochemistry and Electron Transfer Studies
Authors: Kai Shao | Jia‐Xin Wang | Jiyan Pei | Di Liu | Bin Li
Source: Zeitschrift für anorganische und allgemeine Chemie (article, 2022-07-29)
Field: Chemistry — Inorganic Chemistry

Engineering Anion‐Pillared Metal–Organic Frameworks for Record Acetylene/Methane Separation Abstract The realization of ideal molecular sieves has a great potential to achieve the desired gas separations by fine‐tuning pore structures to generate suitable aperture sizes, which can be exclusive to larger molecules thus performing efficient separations. Despite numerous attempts, there are few developed porous materials that implement molecular sieving for C 2 H 2 /CH 4 separation. Herein, we show how fine‐tuning of pore size in a series of selected SIFSIX materials achieves ideal molecular sieving for C 2 H 2 /CH 4 separation at ambient conditions. With an optimized pore size of 3.4 Å and abundant binding sites in the channels, UTSA‐200 shows complete exclusion of larger CH 4 molecules, while maintaining strong affinities toward C 2 H 2 . Therefore, this material exhibits both high uptake capacity at low pressure (up to 41 cm 3 g −1 at 0.01 bar and 296 K) and record C 2 H 2 /CH 4 selectivity (over 1×10 7 ). Dynamic breakthrough experiments validated the ideal sieving separation performance of UTSA‐200 for C 2 H 2 /CH 4 mixtures, affording an exceptionally high C 2 H 2 capacity of 73.5 L kg −1 with high purity of 99.5 % per cycle. Molecular sieve ; Acetylene ; Selectivity ; Molecule ; Porosity ; Gas separation ; Methane ; Ideal (ethics) ; Materials science ; Chemical engineering ; Chemistry ; Nanotechnology ; Physical chemistry ; Organic chemistry ; Adsorption ; Membrane ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Boron and Carbon Nanomaterials Research
Authors: L.R. Torres-Ferrer | José Mauricio López-Romero | J. Méndez‐Nonell | María José Rivas-Arreola | Marisa Moreno-Ríos | Erika O. Ávila-Dávila | E. Prokhorov | Yuriy Kovalenko | Diana Ginette Zárate-Triviño | Javier Revilla | Marco Antonio Meraz‐Ríos | Gabriel Luna‐Bárcenas
Source: Polymers (article, 2022-02-17)
Field: Materials Science — Polymers and Plastics

Tuning HAuCl4/Sodium Citrate Stoichiometry to Fabricate Chitosan-Au Nanocomposites Nanocomposite engineering of biosensors, biomaterials, and flexible electronics demand a highly tunable synthesis of precursor materials to achieve enhanced or desired properties. However, this process remains limited due to the need for proper synthesis-property strategies. Herein, we report on the ability to synthesize chitosan-gold nanocomposite thin films (CS/AuNP) with tunable properties by chemically reducing HAuCl<sub>4</sub> in chitosan solutions and different HAuCl<sub>4</sub>/sodium citrate molar relationships. The structure, electrical, and relaxation properties of nanocomposites have been investigated as a function of HAuCl<sub>4</sub>/sodium citrate molar relation. It was shown that gold particle size, conductivity, Vogel temperature (glass transition), and water content strongly depend upon HAuCl<sub>4</sub>/sodium citrate relationships. Two relaxation processes have been observed in nanocomposites; the <i>α</i>-relaxation process, related to a glass transition in wet CS/AuNP films, and the <i>σ</i>-relaxation related to the local diffusion process of ions in a disordered system. The ability to fine-tune both <i>α</i>- and <i>σ</i>-relaxations may be exploited in the proper design of functional materials for biosensors, biomaterials, and flexible electronics applications. Nanocomposite ; Chitosan ; Materials science ; Sodium citrate ; Chemical engineering ; Biosensor ; Glass transition ; Nanotechnology ; Nanoparticle ; Relaxation (psychology) ; Polymer ; Composite material Conducting polymers and applications ; Electrochemical sensors and biosensors ; Electrochemical Analysis and Applications
Authors: С. В. Зайцева | S. A. Zdanovich | D. V. Tyurin | О. И. Койфман
Source: Russian Journal of Inorganic Chemistry (article, 2022-03-01)
Field: Chemistry — Inorganic Chemistry

Macroheterocyclic μ-Nitrido- and μ-Carbido Dimeric Iron and Ruthenium Complexes as a Molecular Platform for Modeling Oxidative Enzymes (A Review) Recent scientific publications demonstrate a new approach to modeling catalysts that mimic heme-containing enzymes. It involves the use of μ-oxo, μ-nitrido, and μ-carbido dimeric transition metal complexes as promising mimetics. The high catalytic activity of μ-nitrido dimeric iron(III,IV) complexes with porphyrin-type macrocycles, mediated by the formation of high-valence oxo forms similar to the redox site of oxidative enzymes, stimulates interest in such compounds. In this review, special attention is focused on studies aimed at scrutinizing the chemical principles of the formation of different types of highly oxidized oxo forms of μ-nitrido and μ-carbido dimeric iron(IV) and ruthenium(IV) complexes and modulation of their reactivity. Here data on the spectral, coordination, and redox properties of μ-nitrido and μ-carbido dimeric iron(IV) and ruthenium(IV) complexes are summarized, their comparative analysis is performed, and the possibility of using these compounds as a molecular platform for modeling oxidative enzymes is demonstrated. It is noted that the bimetallic structure is flexible and has significant potential for further development and fine tuning of properties through the inclusion of various ligands, metals, and bridging groups in the structure. Chemistry ; Bimetallic strip ; Ruthenium ; Catalysis ; Redox ; Oxidative phosphorylation ; Metal ; Heme ; Stereochemistry ; Enzyme ; Porphyrin ; Combinatorial chemistry ; Photochemistry ; Inorganic chemistry ; Biochemistry ; Organic chemistry Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin and Phthalocyanine Chemistry ; Metal complexes synthesis and properties
Authors: Alex Aziz | Amir Sidat | Priyesh Talati | Rachel Crespo‐Otero
Source: Physical Chemistry Chemical Physics (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Understanding the solid state luminescence and piezochromic properties in polymorphs of an anthracene derivative Luminescent molecular crystals have gained significant research interest for optoelectronic applications. However, fully understanding their structural and electronic relationships in the condensed phase and under external stimuli remains a significant challenge. Here, piezochromism in the molecular crystal 9,10-bis((<i>E</i>)-2-(pyridin-4-yl)vinyl)anthracene (BP4VA) is studied using a combination of density functional theory (DFT) and time-dependent TD-DFT. We investigate the effects that molecular packing and geometry have on the electronic and phonon structure and the excited state properties in this archetypal system. We find that the luminescence properties are red-shifted with the transition from a herringbone to a sheet packing arrangement. An almost continuous red-shift in the band gap is found with the application of an external pressure through the enhancement of π-π and CH-π interactions, and is a mechanism in fine tuning an emissive response. The analysis of the phonon structure of the molecular crystal suggests restriction of motion in the herringbone packing arrangement, with motion restricted at higher pressure. This is supported by the Huang-Rhys factors which show a decrease in the reorganisation energy with the application of pressure. Ultimately, a balance between the decrease in reorganisation energies and the increase in exciton coupling will determine whether nonradiative decay is enhanced or decreased with the increase in pressure in these systems. Anthracene ; Luminescence ; Density functional theory ; Exciton ; Materials science ; Crystal (programming language) ; Excited state ; Chemical physics ; Phonon ; Crystal structure ; Band gap ; Molecular dynamics ; Vibronic coupling ; Crystallography ; Chemistry ; Computational chemistry ; Condensed matter physics ; Photochemistry ; Optoelectronics ; Atomic physics ; Physics Luminescence and Fluorescent Materials ; Nonlinear Optical Materials Research ; Crystallography and molecular interactions
Authors: Alexis Lossouarn | Chloé Puteaux | Laëtitia Bailly | Vincent Tognetti | Laurent Joubert | Pierre‐Yves Renard | Cyrille Sabot
Source: Chemistry - A European Journal (article, 2022-07-21)
Field: Materials Science — Materials Chemistry

Metalloenzyme‐Mediated Thiol‐Yne Addition Towards Photoisomerizable Fluorescent Dyes Proteins are able to irreversibly assemble biologically active ligands from building blocks bearing complementary reactive functions due their spatial proximity, through a kinetic target-guided synthetic process (also named in situ click chemistry). Although linkages thus formed are mostly passive, some of them have shown to significantly contribute to the protein binding through for instance hydrogen bonding and stacking interactions. Biocompatible reactions and click chemistry are a formidable source of inspiration for developing such new protein-directed ligations. This study reports a proximity-induced thiol-yne synthesis of carbonic anhydrase inhibitors. Not only this example widens the arsenal of kinetic target-guided synthesis (KTGS) eligible reactions, but the obtained product displayed unsuspected photophysical properties. The corresponding vinyl sulfide linkage conjugated to a coumarin core proved to be engaged in a monodirectional Z to E photoisomerization process. Further investigations guided by theoretical calculations showed that fine-tuning of the nature of the substituents on the coumarin moiety allows to obtain a bidirectional photochemical process, thus discovering a new photoswitching moiety, displaying moreover fluorescence properties. Due to the spectral tunability of coumarin derivatives, this work should open new opportunities for the design of vinyl sulfide-based photoswitch systems with modular photophysical properties. Chemistry ; Photoisomerization ; Click chemistry ; Moiety ; Combinatorial chemistry ; Fluorescence ; Conjugated system ; Photoswitch ; Carbonic anhydrase ; Carbonyl sulfide ; Photochemistry ; Isomerization ; Organic chemistry ; Catalysis ; Enzyme ; Sulfur Photochromic and Fluorescence Chemistry ; Click Chemistry and Applications ; Synthesis and Catalytic Reactions
Authors: Madhumathi Lakshmipathi | Franziska Emmerling | Biswajit Bhattacharya | Soumyajit Ghosh
Source: Journal of Molecular Structure (article, 2022-07-06)
Field: Chemistry — Physical and Theoretical Chemistry

Structure-mechanical property correlation of a series of 4-(1-Napthylvinyl) pyridine based cocrystals Cocrystal ; Chemistry ; Mechanochemistry ; Crystallography ; Molecule ; Crystal engineering ; Crystal structure ; Lattice (music) ; Property (philosophy) ; Pyridine ; Organic chemistry ; Hydrogen bond ; Physics ; Supramolecular chemistry Crystallography and molecular interactions ; Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes
Authors: Guangxi Du | Jielin Fu | Yuanqin Zheng | Fuqiang Hu | Xin Shen | Baolin Li | Xiaohu Zhao | Zhipeng Yu
Source: Organic & Biomolecular Chemistry (article, 2022-12-22)
Field: Materials Science — Materials Chemistry

A facile and light-controllable drug combination for enhanced photopharmacology We investigated the feasibility of creating cyclic azobenzene/azobenzene-based photo-switchable drugs that can fine-tune antibacterial activity against <i>Escherichia coli</i> (<i>E. coli</i>) and <i>Staphylococcus aureus</i> (<i>S. aureus</i>) with light dependence. Furthermore, a "light-controlled drug combination" of these obtained drugs could be reversibly controlled to efficiently improve the antibiotic effect so as to reduce the minimum inhibitory concentrations (MICs) with different wavelength light illumination. Importantly, their antimicrobial activity could be easily manipulated by using light in bacterial patterning studies with high spatiotemporal precision, which might allow for localized activation of drugs and provide an alternative solution for practical clinical application in photopharmacology. Azobenzene ; Chemistry ; Staphylococcus aureus ; Escherichia coli ; Antimicrobial ; Drug ; Antibacterial activity ; Combinatorial chemistry ; Wavelength ; Nanotechnology ; Biophysics ; Optoelectronics ; Materials science ; Bacteria ; Biochemistry ; Polymer ; Pharmacology ; Organic chemistry Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications ; Photoreceptor and optogenetics research
Authors: Wenyan Wu | Yihuan Wang | Zhijie Zhang | Fang Wang | Sheng Lu | Xiaoqiang Chen
Source: Dyes and Pigments (article, 2022-05-15)
Field: Chemistry — Organic Chemistry

Thermodynamic and metastable colorimetric states of polydiacetylenes composite films and their applications for deciphering secret codes and sensing temperature Polydiacetylenes ; Thermochromism ; Metastability ; Composite number ; Materials science ; Polymer ; Nanotechnology ; Diacetylene ; Chemical physics ; Chemistry ; Composite material ; Organic chemistry ; Polymerization Polydiacetylene-based materials and applications ; Supramolecular Self-Assembly in Materials ; Antimicrobial Peptides and Activities
Authors: Richard Fiedler | Bastian Beizinger | Paul Walther | Mika Lindén
Source: Microporous and Mesoporous Materials (article, 2022-05-31)
Field: Chemistry — Organic Chemistry

Synthesis of highly monodisperse superparamagnetic iron oxide core@mesoporous silica shell particles with independently tunable size, and porosity Dispersity ; Mesoporous silica ; Materials science ; Nanotechnology ; Superparamagnetism ; Nanoparticle ; Mesoporous material ; Shell (structure) ; Porosity ; Chemical engineering ; Biomolecule ; Particle (ecology) ; Chemistry ; Organic chemistry ; Polymer chemistry ; Composite material ; Magnetization Nanomaterials for catalytic reactions ; Iron oxide chemistry and applications ; Nanoparticle-Based Drug Delivery
Authors: Lei Wen | Rui Hu | Shihao Han | Hongmei Yuan | Wenyan Jiao | Huijun Liu
Source: Physical Chemistry Chemical Physics (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

The TiNI monolayer: a two-dimensional system with promising ferroelastic, topological, and thermoelectric properties We demonstrate using first-principles calculations that the TiNI monolayer simultaneously exhibits favorable ferroelastic, topological, and thermoelectric properties. Specifically, we discover a 90° lattice rotation with a moderate switching barrier of 56 meV per atom when a uniaxial tensile strain is applied to the system. Besides, the monolayer is found to be an intrinsic topological insulator with an inverted band structure, as characterized by the <i>Z</i><sub>2</sub> invariant of 1 and the presence of Dirac-like edge states at a critical width of 5.6 nm. Moreover, the thermoelectric <i>ZT</i> value of the system can reach as high as 1.4 at 600 K by fine tuning the carrier concentration. Collectively, these findings make the TiNI monolayer a promising multifunctional material to meet the various application requirements of nanoelectronic devices. Monolayer ; Topological insulator ; Thermoelectric effect ; Materials science ; Condensed matter physics ; Lattice (music) ; Dirac (video compression format) ; Topology (electrical circuits) ; Tensile strain ; Nanotechnology ; Ultimate tensile strength ; Physics ; Metallurgy ; Thermodynamics ; Quantum mechanics 2D Materials and Applications ; MXene and MAX Phase Materials ; Topological Materials and Phenomena
Authors: Thomas Hamoudi | Marie Guionie | Xavier Délen | Jean-Baptiste Dherbecourt | Jean-Michel Melkonian | Antoine Godard | Myriam Raybaut | Patrick Georges
Source: Applied Physics B (article, 2022-04-21)
Field: Chemistry — Spectroscopy

High power, tunable hybrid fiber/bulk laser at 1030 nm and parametric frequency conversion in the near and mid-infrared Materials science ; Optics ; Fiber laser ; Amplifier ; Laser ; Ytterbium ; Optical parametric oscillator ; Optoelectronics ; Optical parametric amplifier ; Wavelength ; Optical amplifier ; Doping ; Physics Spectroscopy and Laser Applications ; Solid State Laser Technologies ; Photonic Crystal and Fiber Optics
Authors: Erine Craey | Fabian Hulpia | Jeroen Spanoghe | Simona Manzella | Lars Emil Larsen | Mathieu Sprengers | Dimitri De Bundel | Ilse Smolders | Evelien Carrette | Jean Delbeke | Kristl Vonck | Paul Boon | Serge Van Calenbergh | Wytse J. Wadman | Robrecht Raedt
Source: International Journal of Molecular Sciences (article, 2022-08-10)
Field: Materials Science — Materials Chemistry

Ex Vivo Feedback Control of Neurotransmission Using a Photocaged Adenosine A1 Receptor Agonist We report the design, synthesis, and validation of the novel compound photocaged N<sup>6</sup>-cyclopentyladenosine (cCPA) to achieve precisely localized and timed release of the parent adenosine A1 receptor agonist CPA using 405 nm light. G<sub>i</sub> protein-coupled A<sub>1</sub> receptors (A<sub>1</sub>Rs) modulate neurotransmission via pre- and post-synaptic routes. The dynamics of the CPA-mediated effect on neurotransmission, characterized by fast activation and slow recovery, make it possible to implement a closed-loop control paradigm. The strength of neurotransmission is monitored as the amplitude of stimulus-evoked local field potentials. It is used for feedback control of light to release CPA. This system makes it possible to regulate neurotransmission to a pre-defined level in acute hippocampal brain slices incubated with 3 µM cCPA. This novel approach of closed-loop photopharmacology holds therapeutic potential for fine-tuned control of neurotransmission in diseases associated with neuronal hyperexcitability. Neurotransmission ; Agonist ; CCPA ; Adenosine A1 receptor ; Adenosine ; Chemistry ; Neuroscience ; Hippocampal formation ; Receptor ; Adenosine receptor ; Biology ; Biochemistry Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Neuroscience and Neuropharmacology Research
Authors: Suneesh Meledath Valiyaveettil | Mohammad Qorbani | Cheng‐Rong Hsing | Ta‐Lei Chou | Laura Paradis-Fortin | Amr Sabbah | Divya Srivastava | Duc‐Long Nguyen | Thi-Thong Ho | Tadesse Billo | Peramaiyan Ganesan | Ching‐Ming Wei | Li–Chyong Chen | Kuei‐Hsien Chen
Source: Materials Today Physics (article, 2022-10-19)
Field: Materials Science — Materials Chemistry

Enhanced thermoelectric performance of skutterudite Co1−Ni Sn1.5Te1.5− with switchable conduction behavior Skutterudite ; Materials science ; Thermoelectric effect ; X-ray photoelectron spectroscopy ; Ternary operation ; Thermal conduction ; Figure of merit ; Seebeck coefficient ; Dimensionless quantity ; Thermoelectric materials ; Electron ; Condensed matter physics ; Chemical physics ; Optoelectronics ; Thermal conductivity ; Chemical engineering ; Analytical Chemistry (journal) ; Thermodynamics ; Composite material ; Organic chemistry ; Chemistry Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Perovskite Materials and Applications