jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Takuya Omine | Fumitaka Ishiwari | Taehyun Won | Naoya Aizawa | Youhei Takeda | Yumi Yakiyama | Tadashi Mori | Takashi Hirose | Ken‐ichi Nakayama | Akinori Saeki
Source: ChemRxiv (preprint, 2024-03-29)
Field: Chemistry — Organic Chemistry

C3-Chiral truxenes showing high circularly polarized fluorescence and phosphorescence properties based on symmetry-forbidden transition Significant effort has been devoted to creating new molecules that show circularly polarized luminescence (CPL) and can be used in devices from both experimental and theoretical approaches. Here we show a new design strategy to achieve a large dissymmetric factor (g value) for CPL based on the symmetry-forbidden transition of π-conjugated molecules. This approach was successfully demonstrated by simple syn-5,10,15-trisubstituted truxenes exhibiting excellent g value for CPL on the order of 10–2. A Herzberg-Teller vibronic analysis and variable-temperature CPL measurements revealed that molecular vibrations dramatically lower the intensity of CPL. Furthermore, at low temperatures, syn-5,10,15-trimethyltruxene exhibits prolonged and strong phosphorescent CPL, which can be analyzed by calculating transition dipole moments using molecular orbitals in the triplet excited state. Leveraged on these findings, a conformationally rigid double-decker-type truxene with robust CPL properties at high temperatures was applied as an emitter in electroluminescence devices exhibiting CPL with a high g value. Phosphorescence ; Fluorescence ; Symmetry (geometry) ; Transition (genetics) ; Physics ; Materials science ; Chemistry ; Condensed matter physics ; Photochemistry ; Optics ; Mathematics ; Geometry Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Photoreceptor and optogenetics research
Authors: Álex Farrando‐Pérez | José M. Villalvilla | Víctor Bonal | Pedro G. Boj | José A. Quintana | María A. Díaz‐García
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Precise patterning of gold nanoparticle gratings on gelatin films A method (based on holographic lithography, dry etching and temperature annealing) to fabricate gold nanoparticles in gelatin films and pattern them into gratings with periods down to 200 nm, controlling the size and particle distribution. Materials science ; Gelatin ; Colloidal gold ; Nanoparticle ; Annealing (glass) ; Nanotechnology ; Holography ; Lithography ; Dry etching ; Optoelectronics ; Etching (microfabrication) ; Optics ; Composite material Gold and Silver Nanoparticles Synthesis and Applications ; Nanomaterials and Printing Technologies ; Plasmonic and Surface Plasmon Research
Authors: Sehrish Zehra | Muhammad Saeed | Muhammad Zaman | Sadia Hassan | Fazal‐ur‐Rehman
Source: Discover Applied Sciences (review, 2024-04-28)
Field: Chemistry — Analytical Chemistry

High-performance liquid chromatography-based analytical techniques for simultaneous determination of Naltrexone hydrochloride (NTX) and Bupropion hydrochloride (BUP): a comprehensive review Abstract The confluence of Bupropion Hydrochloride and Naltrexone Hydrochloride within a composite pharmaceutical formulation has garnered the prestigious endorsement of the U.S. Food and Drug Administration (FDA) for its targeted application in addressing the pervasive issue of obesity. Naltrexone hydrochloride, a semi-synthetic opioid compound, exerts its therapeutic influence through competitive antagonism of the mu receptors, while Bupropion hydrochloride, a tricyclic antidepressant, operates by impeding the reuptake of dopamine, thus amplifying its activity in distinctive cerebral domains. Notably, Naltrexone's impact is modulated through the intricate manipulation of pro-opiomelanocortin neurons within the hypothalamus, underscoring the amalgamated efficacy of this unique tandem in the protracted management of obesity. This scholarly exposition focalizes on the meticulous delineation of high-performance liquid chromatography (HPLC)-based analytical methodologies, meticulously tailored for the concurrent quantification of naltrexone hydrochloride (NTX) and bupropion hydrochloride (BUP). This comprehensive review scrutinizes an array of analytical strategies, traversing from archetypal HPLC (high performance liquid chromatography) methodologies to the burgeoning realm of environmentally conscious chromatographic approaches. Each method undergoes scrupulous examination, elucidating the nuanced applications, from the constitution of the mobile phase and judicious column selection to the refinement of optimal flow rates. Moreover, the review orchestrates a comprehensive evaluation of the validation parameters intrinsic to these analytical approaches, fortifying the reliability and precision of their findings. This erudite exploration not only encapsulates the diversity of chromatographic techniques but also expounds on the methodological robustness that underpins the determination of these pharmacologically significant compounds. In doing so, it elevates the pursuit of scientific excellence in pharmaceutical analysis, contributing significantly to the ongoing discourse in this critical field. Graphical abstract Naltrexone ; Chromatography ; Hydrochloride ; Bupropion ; Chemistry ; Medicine ; Organic chemistry ; Biochemistry Analytical Methods in Pharmaceuticals ; Pharmacological Effects and Assays ; Analytical Chemistry and Chromatography
Authors: Åshild Johansen | Jinjian Lin | Shuntaro Yamada | Samih Mohamed‐Ahmed | Mohammed A. Yassin | Cecilie Gjerde | Daniel J. Hutchinson | Kamal Mustafa | Michael Malkoch
Source: Advanced Healthcare Materials (article, 2024-07-17)
Field: Chemistry — Organic Chemistry

Photo‐Clickable Triazine‐Trione Thermosets as Promising 3D Scaffolds for Tissue Engineering Applications There is an overwhelming demand for new scaffolding materials for tissue engineering (TE) purposes. Polymeric scaffolds have been explored as TE materials; however, their high glass transition state (T<sub>g</sub>) limits their applicability. In this study, a novel materials platform for fabricating TE scaffolds is proposed based on solvent-free two-component heterocyclic triazine-trione (TATO) formulations, which cure at room temperature via thiol-ene/yne photochemistry. Three ester-containing thermosets, TATO-1, TATO-2, and TATO-3, are used for the fabrication of TE scaffolds including rigid discs, elastic films, microporous sponges, and 3D printed objects. After 14 days' incubation the materials covered a wide range of properties, from the soft TATO-2 having a compression modulus of 19.3 MPa and a T<sub>g</sub> of 30.4 °C to the hard TATO-3 having a compression modulus of 411 MPa and a T<sub>g</sub> of 62.5 °C. All materials exhibit micro- and nano-surface morphologies suited for bone tissue engineering, and in vitro studies found them all to be cytocompatible, supporting fast cell proliferation while minimizing cell apoptosis and necrosis. Moreover, bone marrow-derived mesenchymal stem cells on the surface of the materials are successfully differentiated into osteoblasts, adipocytes, and neuronal cells, underlining the broad potential for the biofabrication of TATO materials for TE clinical applications. Materials science ; Thermosetting polymer ; Biofabrication ; Tissue engineering ; Microporous material ; Scaffold ; Glass transition ; Nanotechnology ; Biomedical engineering ; Composite material ; Polymer Synthesis and Characterization of Heterocyclic Compounds ; Click Chemistry and Applications ; Dendrimers and Hyperbranched Polymers
Authors: Jian‐Nan Zhu | Jiawei Dai | You Xu | Xiaoling Liu | Rong Chen | Zhengyun Wang | Hongfang Liu | Guangfang Li
Source: ChemSusChem (article, 2024-02-07)
Field: Materials Science — Materials Chemistry

Plasmon‐Switched Kinetics for Formic Acid Dehydrogenation: Selective Adsorption Driven by Local Field and Hot Carriers Understanding illumination-mediated kinetics is essential for catalyst design in plasmon catalysis. Here we prepare Pd-based plasmonic catalysts with tunable electronic structures to reveal the underlying illumination-enhanced kinetic mechanisms for formic acid (HCOOH) dehydrogenation. We demonstrate a kinetic switch from a competitive Langmuir-Hinshelwood adsorption mode in dark to a non-competitive type under irradiation triggered by local field and hot carriers. Specifically, the electromagnetic field induces a spatial-temporal separation of dehydrogenation-favorable configurations of reactant molecule HCOOH and HCOO<sup>-</sup> due to their natural different polarities. Meanwhile, the generated energetic carriers can serve as active sites for selective molecular adsorption. The hot electrons act as adsorption sites for HCOOH, while holes prefer to adsorb HCOO<sup>-</sup>. Such unique non-competitive adsorption kinetics induced by plasmon effects serves as another typical characteristic of plasmonic catalysis that remarkably differs from thermocatalysis. This work unravels unique adsorption transformations and a kinetic switching driven by plasmon nonthermal effects. Dehydrogenation ; Formic acid ; Kinetics ; Adsorption ; Photochemistry ; Chemistry ; Plasmon ; Catalysis ; Materials science ; Chemical engineering ; Inorganic chemistry ; Organic chemistry ; Optoelectronics Covalent Organic Framework Applications ; Carbon dioxide utilization in catalysis ; CO2 Reduction Techniques and Catalysts
Authors: Huixian Li | Xiaomeng Sun | Datai Liu | X.Q. Liu | Xianchao Du | Shuai Li | Xiaojing Xing | Xinfeng Cheng | Dongqin Bi | Dongfang Qiu
Source: Molecules (article, 2024-12-26)
Field: Materials Science — Polymers and Plastics

Facile Synthesis of Novel Conducting Copolymers Based on N-Furfuryl Pyrrole and 3,4-Ethylenedioxythiophene with Enhanced Optoelectrochemical Performances Towards Electrochromic Application In this article, a series of novel conducting copolymers P(FuPy-<i>co</i>-EDOT) are prepared via cyclic voltammetry electropolymerization method by using N-furfuryl pyrrole (FuPy) and 3,4-ethylenedioxythiophene (EDOT) as comonomers. The molecular structure, surface morphology, electrochemical, and optical properties of the resulting copolymers are characterized in detail upon varying the feed ratios of FuPy/EDOT in the range of 1/1 to 1/9. The results demonstrate that the prepared P(FuPy-<i>co</i>-EDOT) copolymers with a higher proportion of EDOT units (FuPy/EDOT: 2/8~1/9) possess good redox activity, tunable optical absorption performances, and low band gaps (1.75~1.86 eV). Spectroelectrochemistry studies indicate that the resulting copolymers with increased EDOT units show strengthened electrochromic characteristics, exhibiting a red-to-green-to-blue multicolor reversible transition, especially for the P(FuPy<sub>1</sub>-<i>co</i>-EDOT<sub>9</sub>) copolymer films. They also show increased optical contrast (9~34%), fast response time (0.8~2.4 s), and good coloring efficiency (110~362 cm<sup>2</sup> C<sup>-1</sup>). Additionally, the complementary bilayer P(FuPy-<i>co</i>-EDOT)/PEDOT electrochromic devices (ECDs) are also assembled and evaluated to hold excellent electrochromic switching performances with relatively high optical contrast (25%), rapid response time (0.9 s), and satisfactory coloring efficiency (416 cm<sup>2</sup> C<sup>-1</sup>). Together with the superior open circuit memory and cycling stability, they can be used as a new type of electrochromic material and have considerable prospects as promising candidates for electrochromic devices. Electrochromism ; Copolymer ; Materials science ; Pyrrole ; Poly(3,4-ethylenedioxythiophene) ; Electrochromic devices ; Nanotechnology ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Polymer ; PEDOT:PSS ; Layer (electronics) Conducting polymers and applications ; Analytical Chemistry and Sensors ; Transition Metal Oxide Nanomaterials
Authors: Nicolas Pétry | Xavier Bantreil | Frédéric Lamaty
Source: European Journal of Organic Chemistry (article, 2024-05-28)
Field: Chemistry — Organic Chemistry

Synthesis of Molsidomine and Mesocarb Analog via Mechanochemistry Abstract Iminosydnones (ImSyds) have renowned biological activities and attractive chemical properties for chemical biology. However, access to N6‐functionalized iminosydnones involves tricky and hazardous procedures. Thanks to an innovative mechanochemical strategy using 1,1’‐carbonyldiimidazole (CDI) as an activating agent, a straightforward synthesis of molsidomine and of a mesocarb analog, two bioactive iminosydnones, was achieved. The whole process, involving 4 linear steps, was carried out in the solid state by ball‐milling and with safe reagents, offering efficient and sustainable access to N‐carbonylated iminosydnones, in agreement with the principles of green chemistry. Mechanochemistry ; Chemistry ; Reagent ; Molsidomine ; Ball mill ; Chemical synthesis ; Nanotechnology ; Green chemistry ; Combinatorial chemistry ; Biochemical engineering ; Organic chemistry ; Chemical engineering ; Reaction mechanism ; Engineering ; Catalysis Quinazolinone synthesis and applications ; Chemical Synthesis and Analysis ; Synthesis and Reactivity of Heterocycles
Authors: Alex Travesset
Source: The Journal of Chemical Physics (article, 2024-08-01)
Field: Chemistry — Physical and Theoretical Chemistry

Nonlinear Poisson–Boltzmann solutions for charged parallel plates: When opposite charges repel I present an exact solution of the Poisson–Boltzmann equation for two parallel plates and discuss the solution properties. I discuss in more detail plates with opposite charges: In this case, there are two critical separations, Lc,1 &amp;lt; Lc,2. For separations less than Lc,1, the force between plates is repulsive. It switches to attractive at Lc,1, but with the electric potential having the same sign on both plates. For L &amp;gt; Lc,2, the force remains attractive, and the potential at the plates has the same sign as the charge on each plate. I also describe charge regulation, determined by pKa, and provide formulas for both the critical distance where oppositely charged plates repel and their charging process. The implications of these results for the nanoparticle assembly, as driven by electrostatic interactions, are also discussed. Sign (mathematics) ; Charge (physics) ; Boltzmann constant ; Nonlinear system ; Poisson–Boltzmann equation ; Electrostatics ; Electric potential ; Electric charge ; Physics ; Poisson's equation ; Poisson distribution ; Chemistry ; Classical mechanics ; Quantum mechanics ; Mathematical analysis ; Voltage ; Mathematics ; Ion Electrostatics and Colloid Interactions ; Nanopore and Nanochannel Transport Studies ; Microfluidic and Bio-sensing Technologies
Authors: Maude Ducrocq | Arianna Rinaldi | Boris Halgand | Joëlle Véziers | Pierre Guihard | Frank Boury | Antoine Debuigne
Source: Colloids and Surfaces B Biointerfaces (article, 2024-10-29)
Field: Materials Science — Materials Chemistry

Bioactive dextran-based scaffolds from emulsion templates co-stabilized by poly(lactic-co-glycolic acid) nanocarriers Nanocarriers ; Glycolic acid ; Template ; Emulsion ; Dextran ; Chemistry ; Lactic acid ; Chemical engineering ; Materials science ; Drug delivery ; Organic chemistry ; Nanotechnology ; Bacteria Pickering emulsions and particle stabilization ; Polysaccharides Composition and Applications ; biodegradable polymer synthesis and properties
Authors: Bogdana Borca
Source: Coatings (article, 2024-05-30)
Field: Materials Science — Materials Chemistry

Advances in Organic Multiferroic Junctions Typically, organic multiferroic junctions (OMFJs) are formed of an organic ferroelectric layer sandwiched between two ferromagnetic electrodes. The main scientific interest in OMFJs focuses on the magnetoresistive properties of the magnetic spin valve combined with the electroresistive properties associated with the ferroelectric junction. In consequence, memristive properties that couple magnetoelectric functionalities, which are one of the most active fields of research in material sciences, are opening a large spectrum of technological applications from nonvolatile memory to elements in logic circuits, sensing devices, energy harvesting and biological synapsis models in the emerging area of neuromorphic computing. The realization of these multifunctional electronic elements using organic materials is presenting various advantages related to their low-cost, versatile synthesis and low power consumption functioning for sustainable electronics; green disintegration for transient electronics; and flexibility, light weight and/or biocompatibility for flexible electronics. The purpose of this review is to address the advancement of all OMFJs including not only the achievements in the charge and spin transport through OMFJs together with the effects of electroresistance and magnetoresistance but also the challenges and ways to overcome them for the most used materials for OMFJs. Multiferroics ; Materials science ; Nanotechnology ; Condensed matter physics ; Physics ; Optoelectronics ; Ferroelectricity 2D Materials and Applications ; Multiferroics and related materials ; Heusler alloys: electronic and magnetic properties
Authors: Veronika Anna Szabó | Gusztáv Fekete | Gábor Dogossy
Source: Journal of Composites Science (article, 2024-09-24)
Field: Materials Science — Polymers and Plastics

Endothermic–Exothermic Hybrid Foaming of Recycled PET Blends Over the past decades, the use of polyethylene terephthalate (PET) has seen significant growth, particularly in the packaging industry. However, its long decomposition time poses serious environmental challenges. The aim of this research was to develop a process for the foaming of large quantities of recycled PET (rPET) using endothermic and exothermic foaming agents. Various formulations with different ratios of endothermic and exothermic foaming agents were prepared, as well as their mixtures. The study found that the endothermic–exothermic hybrid foaming process resulted in a finer cell-size distribution and enhanced mechanical properties, making the foams highly suitable for widespread applications. The results support the potential use of exothermic foaming agents as nucleating agents in a hybrid foaming system. In particular, the ratio of 3% endothermic and 1% exothermic foaming agents proved optimal in terms of achieving a balance between porosity and mechanical strength, thereby enabling broad industrial applicability. Exothermic reaction ; Endothermic process ; Foaming agent ; Materials science ; Waste management ; Chemical engineering ; Composite material ; Chemistry ; Adsorption ; Organic chemistry ; Engineering Polymer Foaming and Composites ; biodegradable polymer synthesis and properties ; Polymer crystallization and properties
Authors: Subhrajeet Mohanty | Jai Inder Preet Singh | Vikas Dhawan | Sehijpal Singh | Ahmed Belaadi
Source: AIP conference proceedings (review, 2024-01-01)
Field: Materials Science — Biomaterials

A review on basalt/PLA composite and its chemical and mechanical properties The key to a balanced ecology is the use of biodegradable materials. Eco-friendly natural fiber are not sufficient in terms of mechanical characteristics on their own. To solve this, a natural fibre reinforced polymer composite must be created, which will boost the material's mechanical qualities in addition to its biodegradability. Basalt fibre and poly lactic acid (PLA) are selected from among all natural fiber and polymers, respectively. As a result, it has been discovered that the basalt/PLA composite has promising mechanical characteristics, such as tensile and flexural strength. This review work throws a light on various techniques used to develop basalt/PLA composites and its mechanical characterization. Results revel that basalt/PLA based composites have high potential to replace the existing synthetic fiber based polymer composites. Composite number ; Basalt ; Materials science ; Composite material ; Geology ; Geochemistry biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Natural Fiber Reinforced Composites
Authors: Dennis Verspeek | Sebastian Ahrens | Xiaodong Wen | Yong Yang | Yongwang Li | Kathrin Junge | Matthias Beller
Source: Organic & Biomolecular Chemistry (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

A manganese-based catalyst system for general oxidation of unactivated olefins, alkanes, and alcohols Non-noble metal-based catalyst systems consisting of inexpensive manganese salts, picolinic acid and various heterocycles enable epoxidation of the challenging (terminal) unactivated olefins, selective C-H oxidation of unactivated alkanes, and O-H oxidation of secondary alcohols with aqueous hydrogen peroxide. In the presence of the <i>in situ</i> generated optimal manganese catalyst, epoxides are generated with up to 81% yield from alkenes and ketone products with up to 51% yield from unactivated alkanes. This convenient protocol allows the formation of the desired products under ambient conditions (room temperature, 1 bar) by employing only a slight excess of hydrogen peroxide with 2,3-butadione as a sub-stoichiometric additive. Manganese ; Catalysis ; Alcohol oxidation ; Chemistry ; Organic chemistry Oxidative Organic Chemistry Reactions ; Catalysis and Oxidation Reactions ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Bo Song | Zhonghui Zhang | Wei‐Tao Dou | Xiaoli Zhao | Yanfei Niu | Chen Wang | Chunchun Li | Jonathan R. Nitschke | Yang Tian | Hai‐Bo Yang | Lin Xu
Source: Angewandte Chemie (article, 2024-09-02)
Field: Chemistry — Organic Chemistry

Metallo‐Supramolecular Helicates as Surface‐Enhanced Raman Scattering (SERS) Substrates with High Tailorability Abstract The exploration of novel functionalized supramolecular coordination complexes (SCCs) can enable new applications in domains that include purification and sensing. In this study, employing a coordination‐driven self‐assembly strategy, we designed and prepared a series of benzochalcogenodiazole‐based metallohelicates as high‐efficiency charge‐transfer surface‐enhanced Raman scattering (SERS) substrates, expanding the range of applications for these metallohelicates. Through structural modifications, including the substitution of single heteroatoms on ligands, replacement of coordinating metals, and alteration of ligand framework linkages, the Raman performance of these metallohelicates as substrates were systematically optimized. Notably, the SERS enhancement factors (EFs) of the metallohelicate‐based SERS substrates were significantly enhanced to levels as high as 1.03×10 7 , which rivals the EFs of noble metals devoid of “hot spots”. Additionally, the underlying Raman enhancement mechanisms of these metallohelicates have been investigated through a combination of control experiments and theoretical calculations. This study not only demonstrates the utility of metallohelicates as SERS substrates but also offers insights and materials for the development of high‐efficiency new charge‐transfer SERS substrates. Supramolecular chemistry ; Raman scattering ; Raman spectroscopy ; Materials science ; Chemistry ; Nanotechnology ; Molecule ; Optics ; Organic chemistry Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies