jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yulia G. Gorbunova | Alexander G. Martynov | Kirill P. Birin | А. Yu. Tsivadze
Source: Russian Journal of Inorganic Chemistry (article, 2021-02-01)
Field: Materials Science — Materials Chemistry

NMR Spectroscopy—A Versatile Tool for Studying the Structure and Magnetic Properties of Paramagnetic Lanthanide Complexes in Solutions (Review) Coordination compounds of lanthanides attract increasing attention of researchers due to their unique physical and chemical properties, including interesting optical and magnetic behavior. Fine tuning of properties of functional materials based on them is possible by controlling the structure of complexes. This review describes the approach of applying NMR spectroscopy to solve the challenging problem of identification of paramagnetic lanthanide complexes, as well as to establish a correlation between the structure of the coordination sphere of lanthanide ions and the magnetic characteristics of the complexes. It has been shown how the analysis of lanthanide-induced shifts (LIS) and lanthanide-induced relaxation (LIR) in series of isostructural compounds contributes to the identification of spectral–structural correlations, which, in combination with X-ray diffraction and quantum-chemical data, make it possible not only to establish the structure of the compound in solution, but also to perform a primary assessment of the possibility of using lanthanides complexes as single molecule magnets. Lanthanide ; Isostructural ; Paramagnetism ; Molecule ; Coordination sphere ; Chemistry ; Relaxation (psychology) ; Spectroscopy ; Magnetism ; Coordination complex ; Materials science ; Physical chemistry ; Ion ; Chemical physics ; Crystallography ; Crystal structure ; Metal ; Organic chemistry ; Condensed matter physics ; Physics Lanthanide and Transition Metal Complexes ; Magnetism in coordination complexes ; Electron Spin Resonance Studies
Authors: M. Skorupa | Daria Więcławska | Dominika Czerwińska-Główka | Magdalena Skonieczna | Katarzyna Krukiewicz
Source: Polymers (article, 2021-06-11)
Field: Materials Science — Polymers and Plastics

Dopant-Dependent Electrical and Biological Functionality of PEDOT in Bioelectronics The aspiration to interact living cells with electronics challenges researchers to develop materials working at the interface of these two distinct environments. A successful interfacing coating should exhibit both biocompatibility and desired functionality of a bio-integrated device. Taking into account biodiversity, the tissue interface should be fine-tuned to the specific requirements of the bioelectronic systems. In this study, we pointed to electrochemical doping of conducting polymers as a strategy enabling the efficient manufacturing of interfacing platforms, in which features could be easily adjusted. Consequently, we fabricated conducting films based on a poly(3,4-ethylenedioxythiophene) (PEDOT) matrix, with properties modulated through doping with selected ions: PSS<sup>-</sup> (poly(styrene sulfonate)), ClO<sub>4</sub><sup>-</sup> (perchlorate), and PF<sub>6</sub><sup>-</sup> (hexafluorophosphate). Striving to extend the knowledge on the relationships governing the dopant effect on PEDOT films, the samples were characterized in terms of their chemical, morphological, and electrochemical properties. To investigate the impact of the materials on attachment and growth of cells, rat neuroblastoma B35 cells were cultured on their surface and analyzed using scanning electron microscopy and biological assays. Eventually, it was shown that through the choice of a dopant and doping conditions, PEDOT-based materials can be efficiently tuned with diversified physicochemical properties. Therefore, our results proved electrochemical doping of PEDOT as a valuable strategy facilitating the development of promising tissue interfacing materials with characteristics tailored as required. Bioelectronics ; Dopant ; PEDOT:PSS ; Materials science ; Nanotechnology ; Electronic materials ; Conductive polymer ; Doping ; Optoelectronics ; Polymer ; Biosensor ; Composite material Conducting polymers and applications ; Neuroscience and Neural Engineering ; Advanced Sensor and Energy Harvesting Materials
Authors: Dabo Jiang | Qiao Zhang | Long Yang | Youer Deng | Bo Yang | Yachun Liu | Chao Zhang | Zaihui Fu
Source: Renewable Energy (article, 2021-05-04)
Field: Chemistry — Organic Chemistry

Regulating effects of anthraquinone substituents and additives in photo-catalytic oxygenation of p-xylene by molecular oxygen under visible light irradiation Photochemistry ; Chemistry ; Singlet oxygen ; Catalysis ; Anthraquinone ; Selectivity ; Terephthalic acid ; Photocatalysis ; Bathochromic shift ; Substituent ; Radical ; Toluene ; Quenching (fluorescence) ; Oxygen ; Xylene ; Organic chemistry ; Fluorescence Oxidative Organic Chemistry Reactions ; TiO2 Photocatalysis and Solar Cells ; Advanced Photocatalysis Techniques
Authors: Jacqueline M. Godbe | Ronit Freeman | Jacob A. Lewis | Ivan R. Sasselli | M. Hussain Sangji | Samuel I. Stupp
Source: Acta Biomaterialia (article, 2021-09-01)
Field: Materials Science — Biomaterials

Hydrogen Bonding Stiffens Peptide Amphiphile Supramolecular Filaments by Aza-Glycine Residues Self-healing hydrogels ; Nanofiber ; Supramolecular chemistry ; Materials science ; Hydrogen bond ; Amphiphile ; Supramolecular polymers ; Biophysics ; Molecule ; Crystallography ; Nanotechnology ; Polymer chemistry ; Chemistry ; Copolymer ; Polymer ; Organic chemistry ; Composite material Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; RNA Interference and Gene Delivery
Authors: Bharat R. Paghadar | J. B. Sainani | K. M. Samith | Poornima Bhagavath
Source: Journal of Polymer Research (article, 2021-10-01)
Field: Chemistry — Organic Chemistry

Internal donors on supported Ziegler Natta catalysts for isotactic polypropylene: a brief tutorial review Abstract The scientific and technical advances in the field of polymer science has been abundant in recent years. Amongst the various polymeric materials available in market, synthesis of polyolefins has been in the forefront since decades. A major challenge in this domain remains in attaining stereoregular polyolefins especially polypropylene (PP) and significant efforts were carried out by synthesizing various internal donors (ID) aiding the catalysts involved in producing them. This short review gives an overview of i) various generations of Ziegler–Natta (ZN) catalyst systems ii) general classes of ID that has been demonstrated by the researchers over the past decades iii) their influence on PP isotacticity and polymer properties. The coordination modes of different donor classes on supported ZN system and comparative study especially between phthalate and diether ID classes were also addressed here. This review also presents the studies carried out on phthalate catalyst structure analysis, detailed comparison study on phthalate and diether IDs in terms of PP isotacticity, regioselectivity, hydrogen response, and also their cross combination study and competitive behavior. Further a brief description on other structurally varied IDs like malonates, maleates, silyl diol esters, bifunctional donors, multi ether donors demonstrated for isotactic PP were also presented. Studies conducted on compatibility of incorporation of two different classes of IDs on a single supported ZN system for the fundamental understanding of the catalyst behavior; and also on how mixed donor approach enables in tuning the catalyst for polymer properties were also presented. This review also provides an opportunity to the young minds and the basic researchers from academic point of view by and large to create new polymeric materials with useful properties or modify the existing materials for new applications by incorporating new IDs for further improvisation of the stereo regularity in obtaining the polymers. Graphic Abstract Tacticity ; Catalysis ; Materials science ; Silyl ether ; Polymer science ; Bifunctional ; Regioselectivity ; Polymer ; Chemical engineering ; Organic chemistry ; Chemistry ; Silylation ; Polymerization ; Composite material ; Engineering Organometallic Complex Synthesis and Catalysis ; biodegradable polymer synthesis and properties ; Polymer crystallization and properties
Authors: King-Him Yim | Chi‐Tung Yeung | Ho-Yin Wong | Ga‐Lai Law
Source: Inorganic Chemistry Frontiers (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Structural variation of self-assembled lanthanide supramolecular complexes induced by reaction conditions The structural variation of self-assembled lanthanide supramolecular complexes which can be induced by different factors such as concentration, anion and solvent, cationic radii, stoichiometric ratio and light. Lanthanide ; Supramolecular chemistry ; Cationic polymerization ; Stoichiometry ; Ion ; Solvent ; Chemistry ; Crystallography ; Materials science ; Polymer chemistry ; Crystal structure ; Physical chemistry ; Organic chemistry Lanthanide and Transition Metal Complexes ; Molecular Sensors and Ion Detection ; Supramolecular Chemistry and Complexes
Authors: Lisa Maria Haiber | Markus Kufleitner | Valentin Wittmann
Source: Frontiers in Chemistry (review, 2021-04-13)
Field: Chemistry — Organic Chemistry

Application of the Inverse-Electron-Demand Diels-Alder Reaction for Metabolic Glycoengineering The inverse electron-demand Diels-Alder (IEDDA or DA<sub>inv</sub>) reaction is an emerging bioorthogonal ligation reaction that finds application in all areas of chemistry and chemical biology. In this review we highlight its application in metabolic glycoengineering (MGE). MGE is a versatile tool to introduce unnatural sugar derivatives that are modified with a chemical reporter group into cellular glycans. The IEDDA reaction can then be used to modify the chemical reporter group allowing, for instance, the visualization or isolation of glycoconjugates. During the last years, many different sugar derivatives as well as reporter groups have been published. These probes are summarized, and their chemical and biological properties are discussed. Furthermore, we discuss examples of MGE and subsequent IEDDA reaction that highlight its suitability for application within living systems. Bioorthogonal chemistry ; Glycoconjugate ; Glycan ; Click chemistry ; Chemistry ; Combinatorial chemistry ; Biochemistry ; Chemical biology ; Chemical reaction ; Glycoprotein Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Carbohydrate Chemistry and Synthesis
Authors: Linxiao Chen | Iyad S. Ali | George E. Sterbinsky | Xuemei Zhou | Eman Wasim | Steven L. Tait
Source: Catalysis Science & Technology (article, 2021-01-01)
Field: Chemistry — Inorganic Chemistry

Ligand-coordinated Ir single-atom catalysts stabilized on oxide supports for ethylene hydrogenation and their evolution under a reductive atmosphere Effective, stable, durable, and tunable Ir-ligand single-atom catalysts for ethylene hydrogenation, studied <italic>in situ</italic> for structural evolution of Ir single-atoms under a reducing atmosphere. Ethylene ; Catalysis ; Ligand (biochemistry) ; Atmosphere (unit) ; Atom (system on chip) ; Ethylene oxide ; Oxide ; Photochemistry ; Chemistry ; Materials science ; Organic chemistry ; Physics ; Copolymer Asymmetric Hydrogenation and Catalysis ; Catalysis and Hydrodesulfurization Studies ; Catalytic Processes in Materials Science
Authors: Mahmud Abu‐Odeh | Katharina Bleher | Neethinathan Johnee Britto | Peter Comba | Michael Gast | Madhavan Jaccob | Marion Kerscher | Saskia Krieg | Marius Kurth
Source: Chemistry - A European Journal (article, 2021-06-14)
Field: Chemistry — Inorganic Chemistry

Pathways of the Extremely Reactive Iron(IV)‐oxido complexes with Tetradentate Bispidine Ligands The nonheme iron(IV)-oxido complex trans-N3-[(L<sup>1</sup> )Fe<sup>IV</sup> =O(Cl)]<sup>+</sup> , where L<sup>1</sup> is a derivative of the tetradentate bispidine 2,4-di(pyridine-2-yl)-3,7-diazabicyclo[3.3.1]nonane-1-one, is known to have an S=1 electronic ground state and to be an extremely reactive oxidant for oxygen atom transfer (OAT) and hydrogen atom abstraction (HAA) processes. Here we show that, in spite of this ferryl oxidant having the "wrong" spin ground state, it is the most reactive nonheme iron model system known so far and of a similar order of reactivity as nonheme iron enzymes (C-H abstraction of cyclohexane, -90 °C (propionitrile), t<sub>1/2</sub> =3.5 sec). Discussed are spectroscopic and kinetic data, supported by a DFT-based theoretical analysis, which indicate that substrate oxidation is significantly faster than self-decay processes due to an intramolecular demethylation pathway and formation of an oxido-bridged diiron(III) intermediate. It is also shown that the iron(III)-chlorido-hydroxido/cyclohexyl radical intermediate, resulting from C-H abstraction, selectively produces chlorocyclohexane in a rebound process. However, the life-time of the intermediate is so long that other reaction channels (known as cage escape) become important, and much of the C-H abstraction therefore is unproductive. In bulk reactions at ambient temperature and at longer time scales, there is formation of significant amounts of oxidation product - selectively of chlorocyclohexane - and it is shown that this originates from oxidation of the oxido-bridged diiron(III) resting state. Chemistry ; Hydrogen atom abstraction ; Reactivity (psychology) ; Intramolecular force ; Reactive intermediate ; Medicinal chemistry ; Photochemistry ; Stereochemistry ; Radical ; Catalysis ; Organic chemistry Metal-Catalyzed Oxygenation Mechanisms ; Metal complexes synthesis and properties ; Photosynthetic Processes and Mechanisms
Authors: Joy Omini | Izabela Wojciechowska | Aleksandra Skirycz | Hideaki Moriyama | Toshihiro Obata
Source: Scientific Reports (article, 2021-09-21)
Field: Materials Science — Materials Chemistry

Association of the malate dehydrogenase-citrate synthase metabolon is modulated by intermediates of the Krebs tricarboxylic acid cycle Mitochondrial malate dehydrogenase (MDH)-citrate synthase (CS) multi-enzyme complex is a part of the Krebs tricarboxylic acid (TCA) cycle 'metabolon' which is enzyme machinery catalyzing sequential reactions without diffusion of reaction intermediates into a bulk matrix. This complex is assumed to be a dynamic structure involved in the regulation of the cycle by enhancing metabolic flux. Microscale Thermophoresis analysis of the porcine heart MDH-CS complex revealed that substrates of the MDH and CS reactions, NAD<sup>+</sup> and acetyl-CoA, enhance complex association while products of the reactions, NADH and citrate, weaken the affinity of the complex. Oxaloacetate enhanced the interaction only when it was present together with acetyl-CoA. Structural modeling using published CS structures suggested that the binding of these substrates can stabilize the closed format of CS which favors the MDH-CS association. Two other TCA cycle intermediates, ATP, and low pH also enhanced the association of the complex. These results suggest that dynamic formation of the MDH-CS multi-enzyme complex is modulated by metabolic factors responding to respiratory metabolism, and it may function in the feedback regulation of the cycle and adjacent metabolic pathways. Citric acid cycle ; Citrate synthase ; Malate dehydrogenase ; Biochemistry ; Tricarboxylic acid ; NAD+ kinase ; Enzyme ; Metabolism ; Metabolic pathway ; Flux (metallurgy) ; Biology ; Chemistry Enzyme Structure and Function ; Metabolomics and Mass Spectrometry Studies ; Protein Structure and Dynamics
Authors: Д. Н. Каримов | I. I. Buchinskaya | Н. А. Архарова | А. Г. Иванова | Alexander G. Savelyev | Н. И. Сорокин | П. А. Попов
Source: Crystals (article, 2021-03-14)
Field: Chemistry — Inorganic Chemistry

Growth Peculiarities and Properties of KR3F10 (R = Y, Tb) Single Crystals Cubic KR3F10 (R = Y, Tb) single crystals have been successfully grown using the Bridgman technique. Growth of crystals of this type is complicated due to the hygroscopicity of potassium fluoride and melt overheating. The solution to the problem of oxygen-incorporated impurities has been demonstrated through the utilization of potassium hydrofluoride as a precursor. In this study, the crystal quality, structure features, and optical, thermal and electrophysical properties of KR3F10 were examined. Data on the temperature dependences of conductivity properties of KTb3F10 crystals were obtained for the first time. These crystals indicated thermal conductivity equal to 1.54 ± 0.05 Wm−1K−1 at room temperature caused by strong phonon scattering in the Tb-based crystal lattice. Ionic conductivities of KY3F10 and KTb3F10 single crystals were 4.9 × 10−8 and 1.2 × 10−10 S/cm at 500 K, respectively, and the observed difference was determined by the activation enthalpy of F− ion migration. Comparison of the physical properties of the grown KR3F10 crystals with the closest crystalline analog from the family of Na0.5−xR0.5+xF2+2x (R = Tb, Y) cubic solid solutions is reported. Impurity ; Materials science ; Potassium ; Analytical Chemistry (journal) ; Single crystal ; Conductivity ; Thermal conductivity ; Ionic conductivity ; Crystallography ; Ionic bonding ; Crystal (programming language) ; Ion ; Chemistry ; Physical chemistry ; Chromatography Inorganic Fluorides and Related Compounds ; Luminescence Properties of Advanced Materials ; Glass properties and applications
Authors: Juliana Ferreira Floriano | Costanza Emanueli | Sofía Vega | Angélica Mercia Pascon Barbosa | Rafael Guilen de Oliveira | Emerson Aparecido Ferreira Floriano | Carlos F. O. Graeff | Joélcio Francisco Abbade | Rondinelli Donizete Herculano | Luis Sobrevía | Marilza Vieira Cunha Rudge
Source: Biochimica et Biophysica Acta (BBA) - General Subjects (review, 2021-11-15)
Field: Materials Science — Biomaterials

Pro-angiogenic approach for skeletal muscle regeneration Angiogenesis ; Regeneration (biology) ; Myogenesis ; Microvesicles ; Tissue engineering ; Biocompatibility ; Cell biology ; Skeletal muscle ; Biomedical engineering ; Chemistry ; Medicine ; Biology ; Myocyte ; microRNA ; Cancer research ; Anatomy ; Biochemistry Electrospun Nanofibers in Biomedical Applications ; Mesenchymal stem cell research ; Osteoarthritis Treatment and Mechanisms
Authors: Dae Yun Kang | Bo‐Hyun Kim | Tae Ho Lee | Jae Won Shim | Sungmin Kim | Ha‐Jun Sung | K. J. Chang | Tae Geun Kim
Source: Nano-Micro Letters (article, 2021-10-16)
Field: Materials Science — Materials Chemistry

Dopant-Tunable Ultrathin Transparent Conductive Oxides for Efficient Energy Conversion Devices Ultrathin film-based transparent conductive oxides (TCOs) with a broad work function (WF) tunability are highly demanded for efficient energy conversion devices. However, reducing the film thickness below 50 nm is limited due to rapidly increasing resistance; furthermore, introducing dopants into TCOs such as indium tin oxide (ITO) to reduce the resistance decreases the transparency due to a trade-off between the two quantities. Herein, we demonstrate dopant-tunable ultrathin (≤ 50 nm) TCOs fabricated via electric field-driven metal implantation (m-TCOs; m = Ni, Ag, and Cu) without compromising their innate electrical and optical properties. The m-TCOs exhibit a broad WF variation (0.97 eV), high transmittance in the UV to visible range (89-93% at 365 nm), and low sheet resistance (30-60 Ω cm<sup>-2</sup>). Experimental and theoretical analyses show that interstitial metal atoms mainly affect the change in the WF without substantial losses in optical transparency. The m-ITOs are employed as anode or cathode electrodes for organic light-emitting diodes (LEDs), inorganic UV LEDs, and organic photovoltaics for their universal use, leading to outstanding performances, even without hole injection layer for OLED through the WF-tailored Ni-ITO. These results verify the proposed m-TCOs enable effective carrier transport and light extraction beyond the limits of traditional TCOs. Dopant ; Electrical conductor ; Materials science ; Transparent conducting film ; Optoelectronics ; Nanotechnology ; Doping ; Composite material ZnO doping and properties ; Copper-based nanomaterials and applications ; Electronic and Structural Properties of Oxides
Authors: Yu Wei | Olivier Deschaume | Lens Dedroog | Christian Jose Garcia Abrego | Pengfei Zhang | Jolan Wellens | Yovan de Coene | Stijn Jooken | Koen Clays | Wim Thielemans | Christ Glorieux | Carmen Bartic
Source: Advanced Functional Materials (article, 2021-10-17)
Field: Chemistry — Organic Chemistry

Light‐Addressable Nanocomposite Hydrogels Allow Plasmonic Actuation and In Situ Temperature Monitoring in 3D Cell Matrices Abstract This paper reports a multifunctional platform based on a nanocomposite hydrogel combining poly(ethylene glycol), with rhodamine B‐containing silica nanoparticles (RhB@SiO 2 ), as temperature sensors, and gold nanorods (AuNRs) as plasmonic heaters. This composite material acts as a light‐addressable cellular matrix able to induce 3D temperature gradients locally and dynamically using the localized surface plasmon resonance (LSPR) of AuNRs under near‐infrared (NIR) laser illumination. At the same time, the temperature changes are probed locally by monitoring changes of the RhB@SiO 2 NPs fluorescence. As a result of plasmonic heating, and, depending on the preparation protocol, the light‐addressable hydrogel also deforms controllably and reversibly, allowing mechanical and thermal cellular stimulation in a 3D matrix. The hydrogel deformation is quantified by means of inline holographic microscopy. This approach makes it possible to accurately and locally control and simultaneously measure temperature gradients and deformation in soft, 3D deformable materials and will enable novel platforms for studying cellular thermo‐ and mechanobiology. Materials science ; Nanocomposite ; Nanorod ; Rhodamine B ; Plasmon ; Self-healing hydrogels ; Surface plasmon resonance ; Nanotechnology ; In situ ; Nanoparticle ; Ethylene glycol ; Composite material ; Optoelectronics ; Chemical engineering ; Photocatalysis Polydiacetylene-based materials and applications ; Neurobiology and Insect Physiology Research ; Nonlinear Optical Materials Studies
Authors: Marzia Cavallo | Davide Arnodo | Alberto Mannu | Marco Blangetti | Cristina Prandi | Walter Baratta | Salvatore Baldino
Source: Tetrahedron (article, 2021-02-09)
Field: Chemistry — Inorganic Chemistry

Deep eutectic solvents as H2-sources for Ru(II)-catalyzed transfer hydrogenation of carbonyl compounds under mild conditions Chemistry ; Catalysis ; Transfer hydrogenation ; Ruthenium ; Imine ; Formic acid ; Decarbonylation ; Organic chemistry ; Ligand (biochemistry) ; Diphenylphosphine ; Medicinal chemistry ; Phosphine Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Innovative Microfluidic and Catalytic Techniques Innovation