jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ruslan P. Shekurov | Mikhail Khrizanforov | Ilya A. Bezkishko | Kamil Ivshin | Almaz A. Zagidullin | Anna Lazareva | Olga Kataeva | Vasili A. Miluykov
Source: International Journal of Molecular Sciences (article, 2023-09-14)
Field: Chemistry — Inorganic Chemistry

Influence of the Substituent’s Size in the Phosphinate Group on the Conformational Possibilities of Ferrocenylbisphosphinic Acids in the Design of Coordination Polymers and Metal–Organic Frameworks This paper illustrates how the size and type of substituent <i>R</i> in the phosphinate group of ferrocenyl bisphosphinic acids can affect conformational possibilities and coordination packing. It also demonstrates that <i>H</i>-phosphinate plays a key role in variational mobility, while Me- or Ph- substituents of the phosphinate group can only lead to 0D complexes or 1D coordination polymer. Overall, this paper provides valuable insights into the design and construction of coordination polymers based on ferrocene-contained linkers. It sheds light on how different reaction conditions and substituents can affect conformational possibilities and coordination packing, which could have significant implications for developing new polymers with unique properties. Phosphinate ; Substituent ; Chemistry ; Polymer ; Group (periodic table) ; Ferrocene ; Stereochemistry ; Organic chemistry ; Electrochemistry Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Characterization ; Metal complexes synthesis and properties
Authors: Esteban Alvarez Seoane | Alessandro Cattaneo | Fabien Neuenschwander | Lucien Blanchard | Tatiana Nogueira Matos | Laure Jeandupeux | Gianni Fiorucci | Maryam Tizgadam | Kelly Tran | Pierre‐Louis Sciboz | Luce Albergati | Jérôme Charmet | Roger Martí | Stefan Hengsberger
Source: Macromolecular Materials and Engineering (article, 2023-12-24)
Field: Materials Science — Biomaterials

Tunable and Biodegradable Poly(Ester Amide)s for Disposable Facemasks Abstract The widespread use of disposable facemasks during the COVID‐19 pandemic has led to environmental concern due to microplastic pollution. Biodegradable disposable facemasks are a first step to reducing the environmental impact of pandemics. Here, high‐performance facemask components based on novel poly(ester amide)s (PEA) grades synthesized from biosourced materials and processed into nonwoven facemask components are presented. PEA‐based polymers present an excellent compromise between mechanical performance and biodegradability. Importantly, the properties of the PEA can easily be tuned by changing the ratio of ester and amide, or by varying diol and diacid parts. Seven polymers are synthesized which are optimized for biodegradability and processability. Among them, two grades combines 1) electrospinning process compatibility with 2) full degradation within 35 days, using a normalized biodegradation test. The ultra‐thin filters thus developed are evaluated for performance on a custom‐made characterization bench. The filters achieve microparticle capture efficiency and air permeability comparable to commercial filters. Another PEA grade is optimized to reach optimal viscothermal properties that made it compatible with solvent‐free melt‐spinning process as demonstrated with continuous fiber production. Overall, this environmentally friendly solution paves the way for the fabrication of high‐performance fibers with excellent biodegradability for the next‐generation facemasks. Biodegradation ; Materials science ; Spinning ; Compounding ; Polymer ; Biodegradable polymer ; Compatibility (geochemistry) ; Environmentally friendly ; Polyamide ; Electrospinning ; Solvent ; Chemical engineering ; Process engineering ; Composite material ; Organic chemistry Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Additive Manufacturing and 3D Printing Technologies
Authors: Youwei Ma | Xuesong Jiang | Zixing Shi | José Augusto Berrocal | Christoph Weder
Source: Angewandte Chemie (article, 2023-07-13)
Field: Materials Science — Polymers and Plastics

Closed‐Loop Recycling of Vinylogous Urethane Vitrimers Abstract Devising energy‐efficient strategies for the depolymerization of plastics and the recovery of their structural components in high yield and purity is key to a circular plastics economy. Here, we report a case study in which we demonstrate that vinylogous urethane ( VU ) vitrimers synthesized from bis‐polyethylene glycol acetoacetates ( aPEG ) and tris(2‐aminoethyl)amine can be degraded by water at moderate temperature with almost quantitative recovery (≈98 %) of aPEG . The rate of depolymerization can be controlled by the temperature, amount of water, molecular weight of aPEG , and composition of the starting material. These last two parameters also allow one to tailor the mechanical properties of the final materials, and this was used to access soft, tough, and brittle vitrimers, respectively. The straightforward preparation and depolymerization of the aPEG ‐based VU vitrimers are interesting elements for the design of polymer materials with enhanced closed‐loop recycling characteristics. Depolymerization ; Polymer ; Polyethylene glycol ; Brittleness ; Yield (engineering) ; Amine gas treating ; Chemistry ; Materials science ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Polymer science ; Composite material ; Engineering Polymer composites and self-healing ; Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties
Authors: Fatemeh Shahrab | Azadeh Tadjarodi
Source:  (article, 2023-11-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microwave-Irradiation-Assisted Synthesis of Bismuth Ferrite Nanoparticles: Investigating Fuel-to-Oxidant Ratios Bismuth ferrite, BiFeO3, a multiferroic perovskite oxide, has gained significant attention in the field of materials science due to its unique combination of ferroelectric and antiferromagnetic properties. This inherent dual nature makes it essential for various cutting-edge technologies, including non-volatile memories, spintronics, and energy-harvesting devices. However, realizing its full potential requires the precise synthesis of high-purity bismuth ferrite nanoparticles. In this scholarly endeavor, we present a comprehensive exploration of the meticulous fabrication of bismuth ferrite nanoparticles using a microwave-assisted combustion method conducted in the solid-state regime. We utilized bismuth nitrate and iron nitrate as precursor materials, combined with an organic fuel amalgam consisting of ammonium nitrate and glycine. Achieving complete combustion through microwave irradiation required a detailed optimization process for the oxidant-to-fuel ratio and absolute quantities. Our research systematically investigated various fuel-to-oxidant ratios, including 1:1, 3:6, 6:3, and 12:12, all conducted under rigorously controlled microwave irradiation conditions. Subsequent characterization through infrared spectroscopy (IR), X-Ray Diffraction (XRD), and scanning electron microscopy (SEM) confirmed the successful synthesis of high-purity bismuth ferrite nanoparticles. Furthermore, optimizing the synthesis conditions resulted in nanoparticles with superior purity and structural integrity. In conclusion, we meticulously evaluated the photocatalytic properties of the synthesized bismuth ferrite nanoparticles, with a specific focus on their effectiveness in degrading malachite green. Our findings highlight the significant impact of carefully tailored combustion parameters on the photocatalytic performance of bismuth ferrite nanoparticles, positioning them as promising candidates for various environmental remediation and catalytic applications. This study advances our understanding of the custom synthesis of advanced photocatalytic materials, potentially fostering sustainable technological advancements. Bismuth ferrite ; Materials science ; Bismuth ; Nanoparticle ; Ferrite (magnet) ; Photocatalysis ; Chemical engineering ; Nanotechnology ; Composite material ; Ferroelectricity ; Optoelectronics ; Metallurgy ; Catalysis ; Multiferroics ; Organic chemistry ; Chemistry ; Dielectric Multiferroics and related materials ; Advanced Photocatalysis Techniques ; Magnetic Properties and Synthesis of Ferrites
Authors: Shui‐Dong Zhu | Y. Zhou | Fang Liu | Lei Yu | Sui‐Jun Liu | He‐Rui Wen | Bin Shi | Shi‐Yong Zhang | Cai‐Ming Liu | Ying‐Bing Lu
Source: Molecules (article, 2023-11-09)
Field: Chemistry — Inorganic Chemistry

A Pair of Multifunctional Cu(II)–Dy(III) Enantiomers with Zero–Field Single–Molecule Magnet Behaviors, Proton Conduction Properties and Magneto–Optical Faraday Effects Multifunctional materials with a coexistence of proton conduction properties, single-molecule magnet (SMM) behaviors and magneto-optical Faraday effects have rarely been reported. Herein, a new pair of Cu(II)-Dy(III) enantiomers, [DyCu<sub>2</sub>(<i>RR/SS</i>-H<sub>2</sub>L)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>(NO<sub>3</sub>)<sub>2</sub>]·(NO<sub>3</sub>)·(H<sub>2</sub>O) (<b><i>R</i></b>-<b>1</b> and <b><i>S</i></b>-<b>1</b>) (H<sub>4</sub>L = [<i>RR</i>/<i>SS</i>] -N,N'-bis [3-hydroxysalicylidene] -1,2-cyclohexanediamine), has been designed and prepared using homochiral Schiff-base ligands. <b><i>R</i></b>-<b>1</b> and <b><i>S</i></b>-<b>1</b> contain linear Cu(II)-Dy(III)-Cu(II) trinuclear units and possess 1D stacking channels within their supramolecular networks. <b><i>R</i></b>-<b>1</b> and <b><i>S</i></b>-<b>1</b> display chiral optical activity and strong magneto-optical Faraday effects. Moreover, <b><i>R</i></b>-<b>1</b> shows a zero-field SMM behavior. In addition, <b><i>R</i></b>-<b>1</b> demonstrates humidity- and temperature-dependent proton conductivity with optimal values of 1.34 × 10<sup>-4</sup> S·cm<sup>-1</sup> under 50 °C and 98% relative humidity (RH), which is related to a 1D extended H-bonded chain constructed by water molecules, nitrate and phenol groups of the <i>RR</i>-H<sub>2</sub>L ligand. Chemistry ; Enantiomer ; Molecule ; Crystallography ; Magnet ; Stacking ; Proton ; Ligand (biochemistry) ; Supramolecular chemistry ; Relative humidity ; Stereochemistry ; Physics ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Organic and Molecular Conductors Research
Authors: Viktoriia Morad | Andriy Stelmakh | Mariia Svyrydenko | Leon G. Feld | Simon C. Boehme | Marcel Aebli | J. Affolter | Christoph J. Kaul | Nadine J. Schrenker | Sara Bals | Yeşim Müge Şahin | Dmitry N. Dirin | Ihor Cherniukh | Gabriele Rainò | Andrij Baumketner | Maksym V. Kovalenko
Source: Research Square (preprint, 2023-11-14)
Field: Materials Science — Materials Chemistry

Designer Phospholipid Capping Ligands for Soft Metal Halide Nanocrystals Halide ; Nanocrystal ; Metal ; Nanotechnology ; Chemistry ; Phospholipid ; Materials science ; Combinatorial chemistry ; Inorganic chemistry ; Organic chemistry ; Biochemistry ; Membrane Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Weihao Yuan | Jiankun Xu | Na Yang | Han Wang | Jinteng Li | Mengyao Zhang | Meiling Zhu
Source: Gels (review, 2023-12-30)
Field: Materials Science — Biomaterials

Engineered Dynamic Hydrogel Niches for the Regulation of Redox Homeostasis in Osteoporosis and Degenerative Endocrine Diseases Osteoporosis and degenerative endocrine diseases are some of the major causes of disability in the elderly. The feedback loop in the endocrine system works to control the release of hormones and maintain the homeostasis of metabolism, thereby regulating the function of target organs. The breakdown of this feedback loop results in various endocrine and metabolic disorders, such as osteoporosis, type II diabetes, hyperlipidemia, etc. The direct regulation of redox homeostasis is one of the most attractive strategies to redress the imbalance of the feedback loop. The biophysical regulation of redox homeostasis can be achieved through engineered dynamic hydrogel niches, with which cellular mechanics and redox homeostasis are intrinsically connected. Mechanotransduction-dependent redox signaling is initiated by cell surface protein assemblies, cadherins for cell-cell junctions, and integrins for cell-ECM interactions. In this review, we focused on the biophysical regulation of redox homeostasis via the tunable cell-ECM interactions in the engineered dynamic hydrogel niches. We elucidate processes from the rational design of the hydrogel matrix to the mechano-signaling initiation and then to the redox response of the encapsulated cells. We also gave a comprehensive summary of the current biomedical applications of this strategy in several degenerative endocrine disease models. Homeostasis ; Osteoporosis ; Endocrine system ; Medicine ; Bioinformatics ; Biology ; Internal medicine ; Hormone Supramolecular Self-Assembly in Materials ; Bone health and treatments ; Bone Metabolism and Diseases
Authors: Domingo R. Flores-Hernandez | Héctor Manuel Leija Gutiérrez | José A Hernández-Hernández | José Antonio Sánchez-Fernández | Jaime Bonilla‐Ríos
Source: Nanomaterials (article, 2023-12-26)
Field: Chemistry — Inorganic Chemistry

Enhancing Solid-Phase Extraction of Tamoxifen and Its Metabolites from Human Plasma Using MOF-Integrated Polyacrylonitrile Composites: A Study on CuBTC and ZIF-8 Efficacy This study investigates electrospun fibers of metal-organic frameworks (MOFs), particularly CuBTC and ZIF-8, in polyacrylonitrile (PAN) for the solid-phase extraction (SPE) of Tamoxifen (TAM) and its metabolites (NDTAM, ENDO, and 4OHT) from human blood plasma. The focus is on the isolation, pre-concentration, and extraction of the analytes, aiming to provide a more accessible and affordable breast cancer patient-monitoring technology. The unique physicochemical properties of MOFs, such as high porosity and surface area, combined with PAN's stability and low density, are leveraged to improve SPE efficiency. The study meticulously examines the interactions of these MOFs with the analytes under various conditions, including elution solvents and protein precipitators. Results reveal that ZIF-8/PAN composites outperform CuBTC/PAN and PAN alone, especially when methanol is used as the protein precipitator. This superior performance is attributed to the physicochemical compatibility between the analytes' properties, like solubility and polarity, and the MOFs' structural features, including pore flexibility, active site availability, surface polarity, and surface area. The findings underscore MOFs' potential in SPE applications and provide valuable insights into the selectivity and sensitivity of different MOFs towards specific analytes, advancing more efficient targeted extraction methods in biomedical analysis. Polyacrylonitrile ; Solid phase extraction ; Materials science ; Metal-organic framework ; Specific surface area ; Extraction (chemistry) ; Chemical engineering ; Chromatography ; Chemistry ; Polymer ; Adsorption ; Organic chemistry ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Analytical chemistry methods development ; Lanthanide and Transition Metal Complexes
Authors: Florian S. Tschernuth | Lukas Bichlmaier | Sebastian Stigler | Shigeyoshi Inoue
Source: European Journal of Inorganic Chemistry (article, 2023-07-24)
Field: Chemistry — Organic Chemistry

Tuning the Lewis Acidity of Neutral Silanes Using Perfluorinated Aryl‐ and Alkoxy Substituents Abstract The emerging field of Lewis acidic silanes demonstrates the versability of molecular silicon compounds for catalytic applications. Nevertheless, when compared to the multifunctional boron Lewis acid B(C 6 F 5 ) 3 , silicon derivatives still lack in terms of reactivity. In this regard, we demonstrate the installation of perfluorotolyl groups (Tol F ) on neutral silicon atoms to obtain the respective tetra‐ and trisubstituted silanes Si(Tol F ) 4 and HSi(Tol F ) 3 . These compounds were fully characterized including SC‐XRD analysis but unexpectedly showed no significant Lewis acidity. By using strongly electron‐withdrawing perfluorocresolato groups (OTol F ) the tetrasubstituted silane Si(OTol F ) 4 was obtained, bearing an 8 % increased Δδ( 31 P) shift when applying the Gutmann‐Beckett method, compared to literature‐known Si(OPh F ) 4 . Ultimately the heteroleptic Si(Ph F ) 2 pin F was successfully synthesized and fully characterized including SC‐XRD analysis, introducing a highly Lewis acidic silicon atom holding two silicon‐carbon bonds. Silanes ; Chemistry ; Lewis acids and bases ; Alkoxy group ; Silane ; Silicon ; Reactivity (psychology) ; Catalysis ; Aryl ; Boron ; Carbon atom ; Medicinal chemistry ; Carbon fibers ; Organic chemistry ; Alkyl Organoboron and organosilicon chemistry ; Synthesis and characterization of novel inorganic/organometallic compounds ; Fluorine in Organic Chemistry
Authors: Sitthichok Kasemthaveechok | Patrice Gérardo | Niklas von Wolff
Source: Chemical Science (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Merging electrocatalytic alcohol oxidation with C–N bond formation by electrifying metal–ligand cooperative catalysts Electrification of thermal chemical processes could play an important role in creating a more energy efficient chemical sector. Here we demonstrate that a range of MLC catalysts can be successfully electrified and used for imine formation from alcohol precursors, thus demonstrating the first example of molecular electrocatalytic C-N bond formation.This novel concept allowed energy efficiency to be increased by an order of magnitude compared to thermal catalysis. Molecular EAO and the electrification of homogeneous catalysts can thus contribute to current efforts for the electrocatalytic generation of C-N bonds from simple building blocks. Catalysis ; Ligand (biochemistry) ; Alcohol ; Chemistry ; Alcohol oxidation ; Metal ; Electrocatalyst ; Medicinal chemistry ; Bond cleavage ; Combinatorial chemistry ; Organic chemistry ; Electrochemistry ; Electrode ; Receptor ; Physical chemistry ; Biochemistry Oxidative Organic Chemistry Reactions ; Radical Photochemical Reactions ; Electrocatalysts for Energy Conversion
Authors: Yuan Gao | Weiran Zhang | Junhao Wang | Zishuo Wang | Zhaobo Wang
Source: eXPRESS Polymer Letters (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Introducing metal-ligand coordination interaction for self-healing and recyclable nitrile–butadiene rubber: A facile strategy In this research, a nitrile-butadiene rubber (NBR) was prepared with excellent mechanical, self-healing and recycling properties by introducing metal-ligand coordination interaction. A coordination crosslinking network based on ligand bonding was successfully introduced in the NBR matrix by mechanical compounding. The dynamic reversibility of the coordination crosslinking network not only provides the vulcanizate with excellent mechanical properties but also confers a remarkable self-healing ability under high temperatures and recyclable property under mechanical shear, respectively. The sample, which was subjected to the complete cut, could be capable of restoring its original tensile strength after self-healing treatment. The self-healing efficiency of NBR vulcanizate is significantly dependent on the self-healing temperature and time, which can surprisingly reach 97% of the original tensile strength after self-healing treatment at 180 °C for 60 min. After the mechanical shear, the coordination crosslinking network is reversibly transformed. The tensile strength of the NBR vulcanizates after mechanical shearing recycling and re-vulcanization was similar to that of the original NBR vulcanizates. This research presents a novel approach to enhance the durability of rubber used in commercial applications, endowing it with reshaping and recycling capabilities and mitigating environmental issues associated with waste rubber. Nitrile ; Materials science ; Ligand (biochemistry) ; Natural rubber ; Self-healing ; Metal ; Composite material ; Organic chemistry ; Metallurgy ; Chemistry ; Medicine Polymer composites and self-healing ; Carbon dioxide utilization in catalysis ; Chemical Synthesis and Reactions
Authors: Zhun Qiao | Xinyu Wei | Hongpo Liu | Kai Liu | Chuanbo Gao
Source: Nanomaterials (article, 2023-02-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Seed-Mediated Synthesis of Thin Gold Nanoplates with Tunable Edge Lengths and Optical Properties Thin Au nanoplates show intriguing localized surface plasmon resonance (LSPR) properties with potential applications in various fields. The conventional synthesis of Au nanoplates usually involves the formation of spherical nanoparticles or produces nanoplates with large thicknesses. Herein, we demonstrate a synthesis of uniform thin Au nanoplates by using Au-Ag alloy nanoframes obtained by the galvanic replacement of Ag nanoplates with HAuCl<sub>4</sub> as the seeds and a sulfite (SO<sub>3</sub><sup>2-</sup>) as a ligand. The SO<sub>3</sub><sup>2-</sup> ligand not only complexes with the Au salt for the controlled reduction kinetics but also strongly adsorbs on Au {111} facets for effectively constraining the crystal growth on both basal sides of the Au nanoplates for controlled shape and reduced thicknesses. This seed-mediated synthesis affords Au nanoplates with a thickness of only 7.5 nm, although the thickness increases with the edge length. The edge length can be customizable in a range of 48-167 nm, leading to tunable LSPR bands in the range of 600-1000 nm. These thin Au nanoplates are applicable not only to surface-enhanced Raman spectroscopy with enhanced sensitivity and reliability but also to a broader range of LSPR-based applications. Materials science ; Surface plasmon resonance ; Thin film ; Nanotechnology ; Raman spectroscopy ; Nanoparticle ; Plasmon ; Chemical engineering ; Nanocrystal ; Optoelectronics ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Nanocluster Synthesis and Applications
Authors: Adrián Saura-Sanmartín
Source: Beilstein Journal of Organic Chemistry (article, 2023-06-14)
Field: Chemistry — Organic Chemistry

Light-responsive rotaxane-based materials: inducing motion in the solid state Light-responsive rotaxane-based solid-state materials are ideal scaffolds in order to develop smart materials due to the properties provided by the mechanical bond, such as control over the dynamics of the components upon application of external stimuli. This perspective aims to highlight the relevance of these materials, by pointing out recent examples of photoresponsive materials prepared from a rotaxanated architecture in which motion of the counterparts and/or macroscopic motion of the interlocked materials are achieved. Although further development is needed, these materials are envisioned as privileged scaffolds which will be used for different advanced applications in the area of molecular machinery. Rotaxane ; Nanotechnology ; Chemistry ; Solid-state ; Smart material ; Motion (physics) ; Molecular machine ; Materials science ; Supramolecular chemistry ; Computer science ; Molecule ; Artificial intelligence Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials ; Supramolecular Self-Assembly in Materials