jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Charu Dwivedi | Ishan Pandey | Vatsala Misra | Michael Giulbudagian | Harald Jungnickel | Peter Laux | Andreas Luch | Pramod W. Ramteke | Ajay Vikram Singh
Source: Integrative Food Nutrition and Metabolism (article, 2018-01-01)
Field: Materials Science — Materials Chemistry

The prospective role of nanobiotechnology in food and food packaging products Nanomaterials have emerged over the past decade as promising commodities in many fields including cosmetics, environment, food and feed, healthcare, biomedical, optics, drug-gene delivery, health, mechanics and chemical industries. The food industry has also embraced the 'nano' era in response to a growing need by consumers for healthier and nutritionally appealing, cost effective products. The excellent future of 'nanotechnology' in the food industry has evoked food scientists to think innovatively to meet these demands. Applications of nanotechnology in food science are going to impact the vital aspects of food and related industries from food safety to the molecular synthesis of new food products and ingredients. Modern day nanosensors are being developed for improving food quality and safety and packaging techniques that will change the way food is stored and delivered. Nanobiotechnology ; Food packaging ; Food science ; Food products ; Business ; Biotechnology ; Nanotechnology ; Chemistry ; Biology ; Materials science Nanoparticles: synthesis and applications
Authors: Sarah A. Hibbert | Matiss Ozols | C.E.M. Griffiths | Rachel Watson | Mike Bell | Michael J. Sherratt
Source: Scientific Reports (article, 2018-01-05)
Field: Chemistry — Spectroscopy

Defining tissue proteomes by systematic literature review Defining protein composition is a key step in understanding the function of both healthy and diseased biological systems. There is currently little consensus between existing published proteomes in tissues such as the aorta, cartilage and organs such as skin. Lack of agreement as to both the number and identity of proteins may be due to issues in protein extraction, sensitivity/specificity of detection and the use of disparate tissue/cell sources. Here, we developed a method combining bioinformatics and systematic review to screen >32M articles from the Web of Science for evidence of proteins in healthy human skin. The resulting Manchester Proteome ( www.manchesterproteome.manchester.ac.uk ) collates existing evidence which characterises 2,948 skin proteins, 437 unique to our database and 2011 evidenced by both mass spectrometry and immune-based techniques. This approach circumvents the limitations of individual proteomics studies and can be applied to other species, organs, cells or disease-states. Accurate tissue proteomes will aid development of engineered constructs and offer insight into disease treatments by highlighting differences in proteomic composition. Proteome ; Proteomics ; Computational biology ; Biology ; Bioinformatics ; Systematic review ; Function (biology) ; MEDLINE ; Cell biology ; Genetics ; Biochemistry Advanced Proteomics Techniques and Applications ; vaccines and immunoinformatics approaches ; Ubiquitin and proteasome pathways
Authors: Hang Xiao | Xiaoyang Shi | Yayun Zhang | Ming-Jia Li | Xiangbiao Liao | Xi Chen
Source: Computational Materials Science (article, 2018-09-05)
Field: Materials Science — Materials Chemistry

Predicting a two-dimensional P2S3 monolayer: A global minimum structure Monolayer ; Stacking ; Phonon ; Materials science ; Chemical physics ; Band gap ; Semiconductor ; Ab initio ; Molecular dynamics ; Electronic structure ; Ab initio quantum chemistry methods ; Phase (matter) ; Condensed matter physics ; Crystallography ; Nanotechnology ; Computational chemistry ; Chemistry ; Optoelectronics ; Physics ; Molecule 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Saša Opačak | Zoran Kokan | Zoran Glasovac | Berislav Perić | Srećko I. Kirin
Source: European Journal of Organic Chemistry (article, 2018-12-03)
Field: Chemistry — Inorganic Chemistry

“Backdoor Induction” of Chirality: Trans‐1,2‐cyclohexanediamine as Key Building Block for Asymmetric Hydrogenation Catalysts This paper describes the synthesis and characterization of 21 chiral monodentate ligands L , assembled of three building blocks utilizing amide bonds: a metal binding triphenylphosphine, a chiral cyclic diamine and an additional substituent for fine‐tuning the steric and/or electronic properties. Cis square‐planar metal complexes of Rh I and Pt II with ML 2 stoichiometry have been prepared and characterized by spectroscopic methods (NMR, IR, UV‐Vis, CD) and DFT calculations. A key feature of the metal complexes is a prochiral metal coordination sphere and “ backdoor induction ” of chirality from a distant chiral source via an outer‐coordination sphere, well‐defined by aromatic stacking and hydrogen‐bonding. The rhodium complexes were used as catalysts in asymmetric hydrogenation of α,β‐dehydroamino acids with excellent yield and selectivity (up to 97 % ee ), strongly supporting the “ backdoor induction ” hypothesis. Chemistry ; Chirality (physics) ; Rhodium ; Substituent ; Denticity ; Selectivity ; Asymmetric induction ; Amide ; Catalysis ; Stereochemistry ; Metal ; Enantioselective synthesis ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Surface Chemistry and Catalysis ; Chemical Synthesis and Analysis
Authors: Fu‐Rong Zeng | Yang Liang | Zilong Li
Source: Molecules (review, 2018-02-18)
Field: Materials Science — Biomaterials

Precision Aliphatic Polyesters via Segmer Assembly Polymerization Precise structure-property relation of a biodegradable polymer (e.g., aliphatic polyester) is anticipated only if monomer units and chiral centers are arranged in a defined primary sequence as a biomacromolecule. An emerging synthetic methodology, namely segmer assembly polymerization (SAP), is introduced in this paper to reveal the latest progress in polyester synthesis. Almost any periodic polyester envisioned can be synthesized via SAP using a programed linear or cyclic monomer. In this context, the macroscopic properties of a biodegradable polymer are fundamentally determined by microstructural information through a bottom-up approach. It can be highlighted that SAP ideally combines the precision of organic synthesis and the high efficiency of a polymerization reaction. Previously reported strategies including nucleophilic displacement, polyesterification, cross-metathesis polymerization (CMP), ring-opening polymerization (ROP), ring-opening metathesis polymerization (ROMP) and entropy-driven ring-opening metathesis polymerization (ED-ROMP) are critically reviewed in this paper to shed light on precision synthesis of aliphatic polyesters via SAP. Emerging yet challenging, SAP is a paradigm which reflects the convergence of organic and polymer chemistries and is also an efficient pathway to microstructural control. The current status, future challenges and promising trends in this realm are analyzed and discussed in this overview of the state-of-the-art. Polymerization ; ROMP ; Polyester ; Ring-opening metathesis polymerisation ; Metathesis ; Materials science ; Monomer ; Polymer ; Ring-opening polymerization ; Polymer chemistry ; Chemistry ; Nanotechnology ; Composite material biodegradable polymer synthesis and properties ; Synthetic Organic Chemistry Methods ; Advanced Polymer Synthesis and Characterization
Authors: Martin Oschatz | Ralf Walczak
Source: C – Journal of Carbon Research (article, 2018-10-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Crucial Factors for the Application of Functional Nanoporous Carbon-Based Materials in Energy and Environmental Applications This special issue of C—Journal of Carbon Research is dedicated to “Functional Nanoporous Carbon-Based Materials”. It contains contributions reporting on the synthesis of nanoporous carbons for the adsorption of proteins, their applications in electrochemical energy storage/conversion, and on the characterization/modification of their surface chemistry. Nanoporous carbon-based materials are widely researched, but at the same time, the field is still full of unutilized potential. The atomic construction of the carbon framework, pore sizes, pore geometries, presence of heteroatoms, particle size and shape, and many other “internal screws” are available; in the end, the high potential of carbon-based materials will only be fully explored if the interplay of these crucial factors is precisely controlled. This article is a summary of what we consider important for future targeted improvement of porous carbon nanomaterials for energy and environmental applications. Carbon fibers ; Nanoporous ; Heteroatom ; Nanotechnology ; Materials science ; Adsorption ; Nanomaterials ; Characterization (materials science) ; Chemistry ; Organic chemistry ; Composite material Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Graphene research and applications
Authors: Christian Ahoba-Sam | Kamelia Boodhoo | Unni Olsbye | Klaus‐Joachim Jens
Source: Materials (article, 2018-01-17)
Field: Materials Science — Materials Chemistry

Tailoring Cu Nanoparticle Catalyst for Methanol Synthesis Using the Spinning Disk Reactor Cu nanoparticles are known to be very active for methanol (MeOH) synthesis at relatively low temperatures, such that smaller particle sizes yield better MeOH productivity. We aimed to control Cu nanoparticle (NP) size and size distribution for catalysing MeOH synthesis, by using the spinning disk reactor. The spinning disk reactor (SDR), which operates based on shear effect and plug flow in thin films, can be used to rapidly micro-mix reactants in order to control nucleation and particle growth for uniform particle size distribution. This could be achieved by varying both physical and chemical operation conditions in a precipitation reaction on the SDR. We have used the SDR for a Cu borohydride reduction to vary Cu NP size from 3 nm to about 55 nm. XRD and TEM characterization confirmed the presence of Cu₂O and Cu crystallites when the samples were dried. This technique is readily scalable for Cu NP production by processing continuously over a longer duration than the small-scale tests. However, separation of the nanoparticles from solution posed a challenge as the suspension hardly settled. The Cu NPs produced were tested to be active catalyst for MeOH synthesis at low temperature and MeOH productivity increased with decreasing particle size. Nanoparticle ; Materials science ; Particle size ; Nucleation ; Methanol ; Chemical engineering ; Catalysis ; Spinning ; Particle (ecology) ; Yield (engineering) ; Borohydride ; Precipitation ; Nanotechnology ; Composite material ; Organic chemistry ; Chemistry Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Catalysts for Methane Reforming
Authors: Chunfeng Xue | Enyang Wang | Lin Feng | Qingchun Yuan | Xiaogang Hao | Bo Xiao
Source: Microporous and Mesoporous Materials (article, 2018-01-31)
Field: Chemistry — Inorganic Chemistry

Large uniform copper 1,3,5-benzenetricarboxylate metal-organic-framework particles from slurry crystallization and their outstanding CO 2 gas adsorption capacity Microporous material ; Crystallization ; Slurry ; Metal-organic framework ; Adsorption ; Chemical engineering ; Copper ; Solvent ; Materials science ; Yield (engineering) ; Volume (thermodynamics) ; Surface-area-to-volume ratio ; Chemistry ; Organic chemistry ; Metallurgy ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon dioxide utilization in catalysis
Authors: Jeroen Poissonnier | Michiel Pelckmans | Frederik Van Waes | Kristof Moonen | Bert F. Sels | Joris Thybaut | Guy Marin
Source: Applied Catalysis B: Environmental (article, 2018-01-11)
Field: Chemistry — Inorganic Chemistry

Kinetics of homogeneous and heterogeneous reactions in the reductive aminolysis of glucose with dimethylamine Aminolysis ; Dimethylamine ; Chemistry ; Catalysis ; Amination ; Reductive amination ; Kinetics ; Reagent ; Aldol reaction ; Activation energy ; Nuclear chemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion ; Membrane Separation and Gas Transport
Authors: A. Szczurek | Vanessa Fierro | Artyom Plyushch | J. Macutkevič | P. Kuzhir | Alain Celzard
Source: Materials (article, 2018-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structure and Electromagnetic Properties of Cellular Glassy Carbon Monoliths with Controlled Cell Size Electromagnetic shielding is a topic of high importance for which lightweight materials are highly sought. Porous carbon materials can meet this goal, but their structure needs to be controlled as much as possible. In this work, cellular carbon monoliths of well-defined porosity and cell size were prepared by a template method, using sacrificial paraffin spheres as the porogen and resorcinol-formaldehyde (RF) resin as the carbon precursor. Physicochemical studies were carried out for investigating the conversion of RF resin into carbon, and the final cellular monoliths were investigated in terms of elemental composition, total porosity, surface area, micropore volumes, and micro/macropore size distributions. Electrical and electromagnetic (EM) properties were investigated in the static regime and in the Ka-band, respectively. Due to the phenolic nature of the resin, the resultant carbon was glasslike, and the special preparation protocol that was used led to cellular materials whose cell size increased with density. The materials were shown to be relevant for EM shielding, and the relationships between those properties and the density/cell size of those cellular monoliths were elucidated. Porosity ; Materials science ; Carbon fibers ; Microporous material ; Electromagnetic shielding ; Carbonization ; Composite material ; Pyrolysis ; Cell size ; Resorcinol ; Macropore ; Carbon nanofoam ; Chemical engineering ; Specific surface area ; Scanning electron microscope ; Chemistry ; Organic chemistry ; Mesoporous material ; Catalysis Electromagnetic wave absorption materials ; Cellular and Composite Structures ; Advanced Cellulose Research Studies
Authors: Vikram Baddam | Vladimir Aseyev | Sami Hietala | Erno Karjalainen | Heikki Tenhu
Source: Macromolecules (article, 2018-11-21)
Field: Chemistry — Organic Chemistry

Polycation–PEG Block Copolymer Undergoes Stepwise Phase Separation in Aqueous Triflate Solution A block copolymer poly(ethylene glycol)-b-poly(vinylbenzyltrimethylammonium triflate), PEG–PVBTMA-OTf, and a homopolymer PVBTMA-OTf were synthesized through RAFT reactions. The polymers were studied in aqueous triflate solutions with varying temperatures, changing also the polymer and salt concentrations. The hydrophobic triflate anion turns polycations thermoresponsive, and they show an UCST. In the block copolymer, the interaction between the PEG and the cationic block makes the phase separation occur in distinct steps. Upon cooling, transparent solutions first turn turbid and then partially clear at TcL. The TcL is not observed in a mixed solution of PVBTMA-OTf and PEG macro-CTA. By considering the interplay between ionic, hydrogen bonding, and hydrophobic interactions, an overall picture of the complex phase separation processes is suggested. Trifluoromethanesulfonate ; Copolymer ; Cationic polymerization ; Aqueous solution ; Polymer chemistry ; Ethylene glycol ; PEG ratio ; Chemistry ; Upper critical solution temperature ; Ionic bonding ; Polymer ; Hydrogen bond ; Chemical engineering ; Materials science ; Organic chemistry ; Lower critical solution temperature ; Ion ; Molecule ; Catalysis Advanced Polymer Synthesis and Characterization ; Hydrogels: synthesis, properties, applications ; Block Copolymer Self-Assembly
Authors: Ji Zhang | Niek N. H. M. Eisink | Martin D. Witte | Adriaan J. Minnaard
Source: The Journal of Organic Chemistry (article, 2018-12-20)
Field: Chemistry — Organic Chemistry

Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds Palladium-catalyzed oxidation of isopropyl N-acetyl-α-d-glucosamine (GlcNAc) is used to prepare the rare sugars allosamine, lividosamine, and related compounds with unprecedented selectivity. The Passerini reaction applied on 3-keto-GlcNAc provides an entry into branching of the carbon skeleton in this compound. Chemistry ; Regioselectivity ; Glucosamine ; Selectivity ; Isopropyl ; Branching (polymer chemistry) ; Palladium ; Catalysis ; Carbon skeleton ; Organic chemistry ; Stereochemistry ; Combinatorial chemistry Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Microbial Natural Products and Biosynthesis
Authors: Timothée Lathion | Laure Guénée | Céline Besnard | Azzedine Bousseksou | Claude Piguet
Source: Chemistry - A European Journal (article, 2018-09-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Deciphering the Influence of Meridional versus Facial Isomers in Spin Crossover Complexes Chelate coordination of non-symmetrical didentate pyrazine-benzimidazole (L1) or pyridine-benzimidazole (L2) N-donor ligands around divalent iron in acetonitrile produces stable homoleptic triple-helical spin crossover [Fe(Lk)<sub>3</sub> ]<sup>2+</sup> complexes existing as mixtures of meridional (C<sub>1</sub> -symmetry) and facial (C<sub>3</sub> -symmetry) isomers in slow exchange on the NMR timescale. The speciation deviates from the expected statistical ratio mer/fac=3:1, a trend assigned to the thermodynamic trans-influence, combined with solvation effects. Consequently, the observed spin state Fe<sup>II</sup> <sub>low-spin</sub> ↔Fe<sup>II</sup> <sub>high-spin</sub> equilibria occurring in [Fe(Lk)<sub>3</sub> ]<sup>2+</sup> refer to mixtures of complexes in solution, an issue usually not considered in this field, but which limits rational structure-properties correlations. Taking advantage of the selective and quantitative formation of isostructural facial isomers in non-constrained related spin crossover d-f helicates (HHH)-[LnFe(Lk)<sub>3</sub> ]<sup>5+</sup> (Ln is a trivalent lanthanide, Lk=L5, L6), we propose a novel strategy for assigning pertinent thermodynamic driving forces to each spin crossover triple-helical isomer. The different enthalpic contributions to the spin state equilibrium found in mer-[Fe(Lk)<sub>3</sub> ]<sup>2+</sup> and fac-[Fe(Lk)<sub>3</sub> ]<sup>2+</sup> reflect the Fe-N bond strengths dictated by the trans-influence, whereas a concomitant solvent-based entropic contribution reinforces the latter effect and results in systematic shifts of the spin crossover transitions toward higher temperature in the facial isomers. Spin crossover ; Chemistry ; Isostructural ; Spin states ; Homoleptic ; Acetonitrile ; Geminal ; Pyridine ; Cis–trans isomerism ; Crystallography ; Computational chemistry ; Stereochemistry ; Inorganic chemistry ; Crystal structure ; Organic chemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Agnieszka Telecka | Nikolaj K. Mandsberg | Tao Li | Emil Ludvigsen | Sokol Ndoni | Rosa Di Mundo | Fabio Palumbo | Jacek Fiutowski | Serguei Chiriaev | Rafael Taboryski
Source: Nanoscale (article, 2018-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Mapping the transition to superwetting state for nanotextured surfaces templated from block-copolymer self-assembly Adding roughness to hydrophilic surfaces is generally expected to enhance their wetting by water. Indeed, global free energy minimization predicts decreasing contact angles when roughness factor or surface energy increases. However, experimentally it is often found that water spreading on rough surfaces is impeded by pinning effects originating from local free energy minima; an effect, largely neglected in scientific literature. Here, we utilize Laplace pressure as a proxy for these local minima, and we map the transition to a superwetting state of hydrophilic nano-textured surfaces in terms of surface chemistry and texture geometry. We demonstrate the effect for polymer model surfaces templated from block-copolymer self-assembly comprising dense, nano-pillar arrays exhibiting strong pinning in their pristine state. By timed argon plasma exposure, we tune surface chemistry to map the transition into the superwetting state of low contact angle, which we show coincide with the surface supporting hemiwicking flow. For the near-ideal model surfaces, the transition to the superwetting state occurs below a critical material contact angle of ∼50°. We show that superwetting surfaces possess anti-fogging properties, and demonstrate long term stability of the superwetting effect by coating the nanotextured surfaces with ∼10 nm thin films of either tungsten or silica. Copolymer ; Materials science ; Self-assembly ; Nanotechnology ; Block (permutation group theory) ; Polymer science ; Polymer ; Composite material ; Geometry Surface Modification and Superhydrophobicity ; Block Copolymer Self-Assembly ; Adhesion, Friction, and Surface Interactions
Authors: Yingchun Shan | Xialu Wei | Xiannian Sun | Elisa Torresani | Eugene A. Olevsky | Jiujun Xu
Source: Journal of the American Ceramic Society (article, 2018-08-25)
Field: Materials Science — Ceramics and Composites

Effect of heating rate on properties of transparent aluminum oxynitride sintered by spark plasma sintering Abstract High heating rates ranging from 50 to 250°C/min are selected to rapidly sinter transparent aluminum oxynitride (Al ON ) ceramics by spark plasma sintering ( SPS ) at 1600°C under 60 MPa using a bimodal Al ON powder synthesized by the carbothermal reduction and nitridation method. With 1 minute holding time before cooling, all the specimens show high density and high transparence. The maximum transmittance is up to 74.5%‐80.6%, where the maximum transmittance is positively correlated with the heating rate. Further analysis reveals that faster heating rates enable the decrease in the amount of the Al ON phase decomposed into the α‐Al 2 O 3 and AlN phases during heating. These α‐Al 2 O 3 and AlN phases have to be converted back to Al ON at the final stage of sintering, which indicates that a decrease in the amount of the α‐Al 2 O 3 and AlN phases via the boosted heating leads to the higher transmittance of the Al ON ceramics. The high heating rates and short holding duration of the SPS utilized in this study result in the fine grain size of the obtained ceramics (1‐6 μm) compared to that of the Al ON ceramics fabricated by the conventional sintering method. This effect of high heating rates is confirmed by the coupled densification‐grain growth modeling. In turn, the obtained Al ON specimens exhibit a Vickers hardness of 15.87‐16.62 GPa. Materials science ; Spark plasma sintering ; Sintering ; Carbothermic reaction ; Transmittance ; Ceramic ; Vickers hardness test ; Grain size ; Metallurgy ; Aluminium ; Grain growth ; Composite material ; Phase (matter) ; Transparent ceramics ; Microstructure ; Optoelectronics Advanced ceramic materials synthesis ; Microwave Dielectric Ceramics Synthesis ; MXene and MAX Phase Materials