jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Minh‐Duc Hoang | Jean-Baptiste Bodin | Farah Savina | Vincent Steinmetz | Jérôme Bignon | Philippe Durand | Gilles Clavier | Rachel Méallet‐Renault | Arnaud Chevalier
Source: ChemRxiv (preprint, 2021-03-24)
Field: Chemistry — Organic Chemistry

“CinNapht” Dyes as New Cinnoline/Naphthalimide Fused Hybrids Fluorophores: Synthesis, Photo-Physical Study and Use for Bio-Imaging Six-membered diaza ring of Cinnoline have been fused on Naphthalimide dye to give donor–acceptor system called CinNapht. These red shifted fluorophore, that can be synthetised in gram scale, exhibits a large Stoke Shift and quantum yield up to 0.33. It is also caracterized by strong solvatochromic effect for green to red emission as well and can be used for bio-imaging Solvatochromism ; Cinnoline ; Fluorophore ; Ring (chemistry) ; Acceptor ; Quantum yield ; Chemistry ; Photochemistry ; Yield (engineering) ; Materials science ; Fluorescence ; Physics ; Organic chemistry ; Optics ; Molecule Synthesis and Biological Evaluation ; Catalytic Cross-Coupling Reactions ; Fluorine in Organic Chemistry
Authors: Alberto Blanch-Jover | Nicola De Franceschi | Daphna Fenel | Winfríed Weissenhorn | Cees Dekker
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-10-07)
Field: Materials Science — Materials Chemistry

The archaeal division protein CdvB1 assembles into polymers that are depolymerized by CdvC Abstract The Cdv proteins constitute the cell-division system of the Crenarchaea, in a protein machinery that is closely related to the ESCRT system of eukaryotes. The CdvB paralog CdvB1 is believed to play a major role in the constricting ring that is the central actor in cell division in the crenarchaea. Here, we present an in vitro study of purified CdvB1 from the crenarchaeon M. sedula with a combination of TEM imaging and biochemical assays. We show that CdvB1 self-assembles into filamentous polymers that are depolymerized by the action of the Vps4-homolog ATPase CdvC. Using liposome flotation assays, we show that CdvB1 binds to negatively charged lipid membranes and can be detached from the membrane by the action of CdvC. Interestingly, we find that the polymerization and the membrane binding are mutually exclusive properties of the protein. Our findings provide novel insight into one of the main components of the archaeal cell division machinery. Cell division ; Cell biology ; Biology ; ATPase ; Membrane protein ; Lipid II ; Lipid bilayer ; Membrane ; Cell ; Archaea ; Transport protein ; Division (mathematics) ; Biochemistry ; Biophysics ; Enzyme ; Gene ; Biosynthesis Enzyme Structure and Function ; Photosynthetic Processes and Mechanisms ; Protein Structure and Dynamics
Authors: Krupal P. Jethava | Priya Prakash | Palak Manchanda | Harshit Arora | Gaurav Chopra
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-05-05)
Field: Materials Science — Materials Chemistry

One Scaffold – Different Organelles Sensors: pH-Activable Fluorescent Probes for Targeting Live Primary Microglial Cell Organelles ABSTRACT Targeting live cell organelles is important for imaging and to understand and control specific biochemical processes. Typically, fluorescent probes with distinct structural scaffolds have been used for targeting specific cell organelle. Herein, we aimed to design modular one-step synthetic strategies using a common reaction intermediate to develop new lysosomal, mitochondrial and nucleus targeting pH-activable fluorescent probes that are all based on a single boron dipyrromethane analogs. The divergent cell organelle targeting was achieved by synthesizing pH-activable fluorescent probes with specific functional groups changes to the main scaffold resulting in differential fluorescence and pKa. Specifically, we show that the functional group transformation of the same scaffold influences cellular localization and specificity of pH-activable fluorescent probes in live primary microglial cells with pKa’s ranging from ~4.5-6.0. We introduce a structure-organelle-relationship (SOR) framework targeting the nucleus (NucShine), lysosomes (LysoShine) and mitochondria (MitoShine) in primary mouse microglial cells. This work will result in future applications of SOR beyond imaging to target and control organelle-specific biochemical processes in disease-specific models. Organelle ; Fluorescence ; Cell ; Scaffold ; Chemistry ; Mitochondrion ; Fluorescence microscope ; Cell biology ; Biophysics ; Live cell imaging ; Biology ; Biochemistry ; Biomedical engineering Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Supramolecular Self-Assembly in Materials
Authors: Yu Bai | Emily J. Parker
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-03-29)
Field: Materials Science — Materials Chemistry

Reciprocal allostery arising from a bi-enzyme assembly controls aromatic amino acid biosynthesis in <i>Prevotella nigrescens</i> ABSTRACT Modular protein assembly has been widely reported as a mechanism for constructing allosteric machinery. Recently, a distinctive allosteric system has been identified in a bi-enzyme assembly comprising a 3-deoxy- d - arabino heptulosonate-7-phosphate synthase (DAH7PS) and chorismate mutase (CM). These enzymes catalyze the first and branch point reactions of aromatic amino acid biosynthesis in the bacterium Prevotella nigrescens ( Pni DAH7PS), respectively. The interactions between these two distinct catalytic domains support functional inter-reliance within this bifunctional enzyme. The binding of prephenate, the product of CM-catalyzed reaction, to the CM domain is associated with a striking rearrangement of overall protein conformation that alters the interdomain interactions and allosterically inhibits the DAH7PS activity. In this study, we observed allosteric activation of CM activity in the presence of all DAH7PS substrates. Using small angle X-ray scattering (SAXS) experiments we show that changes in overall protein conformations and dynamics are associated with the presence of different DAH7PS substrates and the allosteric inhibitor prephenate. Furthermore, we have identified an extended interhelix loop located in CM domain, loop C320-F333 , as a crucial segment for the interdomain structural and catalytic communications. Our results suggest that the dual function enzyme Pni DAH7PS contains a reciprocal allosteric system between the two enzymatic moieties, as a result of this bidirectional interdomain communication. This arrangement allows for a complex feedback and feedforward system for control of pathway flux by connecting the initiation and branch point of aromatic amino acid biosynthesis. Allosteric regulation ; Aromatic amino acids ; Allosteric enzyme ; Biosynthesis ; Transferase ; Stereochemistry ; Enzyme ; Chemistry ; Biochemistry ; Amino acid Enzyme Structure and Function ; Microbial Metabolic Engineering and Bioproduction ; Bacterial Genetics and Biotechnology
Authors: Detlef‐M. Smilgies | Ruipeng Li
Source: ChemRxiv (preprint, 2021-12-13)
Field: Chemistry — Organic Chemistry

indexGIXS – software for visualizing and interactive indexing of grazing-incidence scattering data Grazing incidence small- and wide-angle scattering (GISAXS, GIWAXS) are widely applied for the study of organic thin films, be it for the characterization of nanostructured morphologies in block copolymers, nanocomposites, or nanoparticle assemblies, or the packing and orientation of small aromatic molecules and conjugated polymers. Organic thin films typically are uniaxial powders, with specific crystallographic planes oriented parallel to the substrate surface. The associated fiber texture scattering patterns are complicated by refraction corrections and multiple scattering. We present an interactive graphics tool to index such patterns. Grazing-incidence small-angle scattering ; Scattering ; Materials science ; Thin film ; Nanoporous ; Substrate (aquarium) ; Optics ; Refraction ; Light scattering ; Texture (cosmology) ; Biological small-angle scattering ; Nanotechnology ; Small-angle neutron scattering ; Computer science ; Neutron scattering ; Physics ; Image (mathematics) Advanced Polymer Synthesis and Characterization ; Machine Learning in Materials Science
Authors: Boris Dyatkin
Source: MRS Bulletin (article, 2021-11-01)
Field: Materials Science — Materials Chemistry

Fine-tuned carbon nanotubes scavenge for waste heat Carbon nanotube ; Materials science ; Nanotechnology ; Carbon fibers ; Waste management ; Environmental science ; Composite material ; Engineering Graphite, nuclear technology, radiation studies ; Carbon Nanotubes in Composites ; Graphene research and applications
Authors: Bingnan Qian
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2021-10-11)
Field: Materials Science — Materials Chemistry

Transformations induites par la déformation dans les alliages métastables à base de Ti-Mo : étude des mécanismes de déformation et application d'un stent cardiovasculaire Abstract: This work aims to develop a kind of metastable β titanium alloys applied in cardiovascular stent. Ti-12Mo (wt. %) alloy attracted our attention due to its large strength, large ductility and significant work-hardening effect. In order to further understand the deformation mechanism of Ti-12Mo alloy during tensile process, several in-situ characterization investigations such as electron backscatter diffraction (EBSD) under tensile load, transmission electron microscopy (TEM) under tensile load and heating, isothermal electrical resistivity measurements, etc., combined with theoretical Schmid factor calculations were carried out. These techniques allowed to investigate in details the diverse pathways (deformation mechanism and microstructure evolution sequence) of the deformation-induced transformations ({332}<113>β twinning and stress-induced orthorhombic martensite α″), the selection mechanism of the transformation pathways, the martensite mechanical twinning process, the mechanism of martensite variants selection, and the ω phase transformation. Furthermore, short time and low temperature hardening heat treatment (200℃ for 60~150s) was performed to improve the mechanical properties through controlling the ωiso phase nucleation without detectable modification of the chemical compositions. ω phase transformations and their effects on the mechanical behaviors and microstructure evolutions were carefully investigated and discussed in detail.A set of strain transformable metastable Ti-12Mo-xZr (wt. %) alloys (x=3, 6, 10, wt. %) and Ti-W-Mo-Zr alloys (W =14%~22%, Mo=3%~10%, Zr=0%~6.5%, wt. %) alloys were designed and fabricated. Their mechanical properties and deformation mechanism were carefully studied. Among them, Ti-12Mo-10Zr and Ti-22W-4.5W-6.5Zr alloys were find to present combinations of high strength, high work-hardening rate, excellent uniform plastic elongation and improved radiocapacity. The finite element analysis (FEA) simulations are applied on the cardiovascular stent model of Ti-12Mo-10Zr and Ti-22W-4.5W-6.5Zr alloys, respectively, to evaluate their potential for cardiovascular stent applications. Metastability ; Deformation (meteorology) ; Mechanism (biology) ; Materials science ; Deformation mechanism ; Metallurgy ; Physics ; Composite material ; Microstructure Titanium Alloys Microstructure and Properties ; Metal and Thin Film Mechanics ; Intermetallics and Advanced Alloy Properties
Authors: Ryuji Tamura | Asuka Ishikawa | Shintaro Suzuki | Akihiro Kotajima | Yujiro Tanaka | Takehito Seki | Naoya Shibata | Tsunetomo Yamada | T. Fujii | Chin‐Wei Wang | Maxim Avdeev | T. Sato
Source: Research Square (preprint, 2021-03-23)
Field: Materials Science — Materials Chemistry

Long-range magnetic order in real icosahedral quasicrystals Abstract Quasicrystals (QCs), first discovered in 1984, generally do not exhibit long-range magnetic order. Here, we report on long-range magnetic order in the real icosahedral quasicrystals ( i QCs) Au–Ga–Gd and Au–Ga–Tb. The Au 65 Ga 20 Gd 15 i QC exhibits a ferromagnetic transition at T C = 23 K, manifested as a sharp anomaly in both magnetic-susceptibility and specific-heat measurements. Quick magnetic saturation to almost the full moment (7μ B /Gd 3+ ) is observed under 100 Oe at 2 K. This is the first observation of long-range magnetic order in a real quasicrystal, in contrast to the spin-glass-like behaviours observed for the other magnetic quasicrystals found to date. Moreover, when Gd is replaced by Tb, i.e. for the Au 65 Ga 20 Tb 15 i QC, a ferromagnetic behaviour is still retained with T C = 16 K. Although the sharp anomaly in the specific heat observed for the Au 65 Ga 20 Gd 15 i QC is significantly broadened upon Tb substitution, neutron-diffraction experiments clearly show the marked development of magnetic Bragg peaks below T C , indicating long-range magnetic order for the Au 65 Ga 20 Tb 15 i QC also. Our findings can contribute to the further investigation of exotic magnetic orders formed on real quasiperiodic lattices with unprecedented highest global symmetry, i.e. icosahedral symmetry. Icosahedral symmetry ; Quasicrystal ; Range (aeronautics) ; Order (exchange) ; Condensed matter physics ; Physics ; Materials science ; Business ; Mathematics ; Geometry Quasicrystal Structures and Properties ; Mineralogy and Gemology Studies
Authors: Alexander Hinderhofer | Jan Hagenlocher | Alexander Gerlach | Joachim Krug | Martin Oettel | Frank Schreiber
Source: arXiv (Cornell University) (preprint, 2021-03-08)
Field: Materials Science — Materials Chemistry

Non-equilibrium Roughness Evolution of Small Molecule Mixed Films Reflecting Equilibrium Phase Behavior Understanding non-equilibrium phenomena, such as growth, and connecting them to equilibrium phase behavior is a major challenge, in particular for complex multicomponent materials. We use X-ray reflectivity to determine the surface roughness of binary mixtures of several prototypical organic compounds. By analyzing the roughness as a function of composition, we find a systematic behavior depending on the bulk phase behavior in terms of intermixing, co-crystallization or phase separation. Supported by kinetic Monte Carlo simulations, we provide evidence that the growth behavior can be rationalized by a lowered step edge barrier in the mixed films which is induced by reduced in-plane crystallinity. Materials science ; Surface finish ; Phase (matter) ; Chemical physics ; Crystallinity ; Monte Carlo method ; Phase equilibrium ; Crystallization ; Surface roughness ; Thermodynamics ; Function (biology) ; Enhanced Data Rates for GSM Evolution ; Statistical physics ; Chemistry ; Composite material ; Physics Block Copolymer Self-Assembly ; nanoparticles nucleation surface interactions ; Machine Learning in Materials Science
Authors: Xi Xia | Feng Wan | Jianhui Yan | Hongmei Xu | KaiDi Hu
Source: SCIREA Journal of Materials (article, 2021-06-08)
Field: Materials Science — Ceramics and Composites

Anti-oxidation mechanism investigation of SiO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;+SiC+Al (H&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;PO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt;)&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt; coating for continuous SiC fiber reinforced AlPO&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt; composites with multi-walled carbon nanotubes as the absorber SiCf/AlPO4 composites were fabricated using a hot laminating process with MWCNTs as the absorber. A coating prepared from SiO2+SiC+Al (H2PO4)3 was applied to the surface of SiCf/AlPO4 composites prior to an anti-oxidation test at 1373 K in air for 40 h. The anti-oxidation effect was verified by a three-point bending test, scanning electron microscopy, transmission electron microscopy, X-ray diffraction and a dielectric property test. Ampere ; Chemistry ; Adenylate kinase ; Adenine nucleotide ; Nucleotide ; Biochemistry ; Electrical engineering ; Enzyme ; Engineering ; Voltage Advanced ceramic materials synthesis ; Magnesium Oxide Properties and Applications ; Boron and Carbon Nanomaterials Research
Authors: John S.K. Yuen | Sophia K. Theodossiou | Andrew J. Stout | N. Stephanie Kawecki | Sophia M. Letcher | Julian M. Cohen | Brigid M Barrick | Michael K. Saad | Natalie R. Rubio | Jaymie A Pietropinto | Hailey DiCindio | Amy C. Rowat | David L. Kaplan
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2021-12-18)
Field: Materials Science — Biomaterials

Perspectives on Scaling Production of Adipose Tissue for Food Applications With increasing meat consumption and significant environmental impact during production, it is important to develop sustainable alternatives to meat. Since fat is an important contributor to meat flavor, recapitulating this component in meat alternatives such as plant-based and cell cultured meats is important. Here, we discuss the topic of cell cultured or tissue engineered fat, growing adipocytes in vitro that could imbue meat alternatives with the complex flavor and aromas of animal meat. We outline potential paths for the large-scale production of in vitro cultured fat, including adipogenic precursors during cell proliferation, methods to proliferate and adipogenically differentiate cells at scale, as well as strategies for converting differentiated adipocytes into 3D cultured fat tissues. We showcase the maturation of knowledge and technology behind cell sourcing and scaled proliferation, while also highlighting that adipogenic differentiation and 3D adipose tissue formation at scale need further research. We also provide some potential solutions for achieving adipose cell differentiation and tissue formation at scale based on contemporary research and the state of the field. Adipose tissue ; Production (economics) ; Scaling ; Food processing ; Computer science ; Business ; Food science ; Medicine ; Biology ; Internal medicine ; Mathematics ; Economics Electrospun Nanofibers in Biomedical Applications
Authors: R. Vilarinho | A. Almeida | J. Agostinho Moreira
Source: OAJ Materials and Devices (article, 2021-01-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural distortions of orthorhombic RFeO3 and RMnO3 We will address in detail the structural distortions responsible for the symmetry lowering of the ideal cubic Pm-3m perovskite to the orthorhombic Pnma structure of RFeO3 and RMnO3 (R = trivalent rare-earth cation), important to the stabilization of the different magnetic and multiferroic phases in these materials. We will also show how the Amplimodes tool of Bilbao Crystallographic Server is useful in quantifying these distortions and establish which phonons can be used as probes of both the octahedra tilting and deformation. Orthorhombic crystal system ; Multiferroics ; Octahedron ; Crystallography ; Materials science ; Ideal (ethics) ; Perovskite (structure) ; Condensed matter physics ; Rare earth ; Phonon ; Deformation (meteorology) ; Symmetry (geometry) ; Crystal structure ; Ferroelectricity ; Physics ; Chemistry ; Dielectric ; Geometry ; Political science ; Optoelectronics ; Metallurgy ; Mathematics ; Law Multiferroics and related materials ; Magnetic and transport properties of perovskites and related materials ; Heusler alloys: electronic and magnetic properties
Authors: Preeti Jain | Oleg N. Antzutkin
Source: ChemRxiv (preprint, 2021-04-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Comparative Investigation of Non-halogenated Imidazolium and Phosphonium-based Surface-Active Ionic Liquids as Electrolyte for Supercapacitors We report a comparative analysis of non-halogenated surface-active ionic liquids (SAILs), which consists of the surface-active anion, 2-ethylhexyl sulfate, and the phosphonium, and imidazolium cations i.e., tetrabutylphosphonium ([P4444]+), trihexyl(tetradecyl)phosphonium ([P66614]+), and 1-methyl-3-hexylimidazolium ([C6C1IM]+). We explored the thermal and electrochemical properties, i.e., degradation, melting and crystallization temperatures, and ionic conductivity of this new class of IL. These SAILs were tested as an electrolyte in a multi-walled carbon nanotubes (MWCNTs)-based supercapacitor at various temperatures from 253 to 373 K. The electrochemical performance of different SAILs by varying the cationic core as a function of temperature were compared, in the same MWCNT-based supercapacitor. We found that the supercapacitor cell with [C6C1IM][EHS] shown high specific capacitance (Celec in F g-1), a high energy density (E in Wh kg-1), and a high power density (P in kW kg-1) when compared to those for the other SAILs i.e. [P4444][EHS], [P66614][EHS], and [N8888][EHS] at all temperatures. The supercapacitor with an MWCNT-based electrode and [C6C1IM][EHS], [P4444][EHS], and [P66614][EHS] as an electrolyte showed a specific capacitance of 148, 90, and 47 F g-1 (at the scan rate of 2 mV s-1) with an energy density of 82, 50, and 26 Wh kg-1 (at 2 mV s-1) respectively, at 298 K. The temperature effect can be seen by the three to four-fold increase in the specific capacitance of the cell and the energy density values, i.e., 290, 198, and 114 F g-1 (at 2 mV s-1) and 161, 110, and 63 Wh kg-1 (at 2 mV s-1), respectively, at 373 K. This study reveals that these new SAILs specifically [C6C1IM][EHS] and [P4444][EHS] can potentially be used as electrolytes in the wide range of temperature. The solution resistance (Rs), charge transfer resistance (Rct), and equivalent series resistance (ESR) also decreased with an increase in temperature for all SAILs as electrolytes. These new SAILs can explicitly be used for high-temperature (wide range of temperature) electrochemical applications, such as efficient supercapacitors for high energy storage due to enhanced specific capacitance, energy, and power density at elevated temperatures. Supercapacitor ; Ionic liquid ; Phosphonium ; Electrolyte ; Capacitance ; Electrochemistry ; Materials science ; Chemical engineering ; Power density ; Chemistry ; Electrode ; Polymer chemistry ; Physical chemistry ; Organic chemistry ; Thermodynamics ; Catalysis ; Physics Supercapacitor Materials and Fabrication ; Ionic liquids properties and applications ; Conducting polymers and applications
Authors: Mark E. Fuller | Philipp Morsch | Franklin Goldsmith | Karl Alexander Heufer
Source: ChemRxiv (preprint, 2021-02-07)
Field: Chemistry — Organic Chemistry

The Impact of NOx Addition on the Ignition Behavior of N-Pentane This article details new ignition delay time experiments carried out on blends of n-pentane and either NO or NO2 in the rapid compression machine facility at RWTH Aachen University. Further, a new chemical kinetic mechanism is developed which is able to well-reproduce the experiments and significantly improve over recently published mechanisms. This work has particular value for publication as it adopts a systematic, class-based approach to mechanism development for interactions with nitrogenated species. Pentane ; Ignition system ; Mechanism (biology) ; NOx ; Work (physics) ; Compression (physics) ; Nuclear engineering ; Computer science ; Thermodynamics ; Chemistry ; Physics ; Engineering ; Physical chemistry ; Combustion ; Organic chemistry Chemical Thermodynamics and Molecular Structure