jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ye Yuan | Max Van Belkum | Alana O’Brien | Alain Garcia | Karla Troncoso | Ahmed S. Elshikha | Lei Zhou | Sihong Song
Source: Research Square (preprint, 2022-08-04)
Field: Materials Science — Biomaterials

Human Alpha 1 Antitrypsin Suppresses NF-ĸB Activity and Extends Lifespan in Adult Drosophila <title>Abstract</title> Human alpha 1 antitrypsin (hAAT) is a multifunctional protein, which has been shown to have anti-inflammatory and cellular protective properties. While previous studies demonstrated the antiaging potential of hAAT, the mechanism(s) underlying the antiaging effect remain elusive. In this study, we performed a detailed analysis of transcriptomic data, which indicated that NF-ĸB-targeted genes and NF-ĸB-regulated-pathways were selectively inhibited by hAAT treatment. We further showed that the first detectable impact of hAAT treatment was the inhibition of the nuclear activity of NF-ĸB. Subsequently, hAAT treatment suppressed the mRNA levels of NF-ĸB targeted genes, as well as NF-ĸB itself (P65 and P50) in human senescent cells. Using <italic>Drosophila</italic> models, we further examined the impact of hAAT on locomotor activity and endurance. Finally, using an adult-specific promotor, we demonstrated that overexpression of hAAT in late stage of life significantly extended the lifespan of transgenic flies. These results extended the current understandings of the anti-inflammation function of hAAT. Transcriptome ; Transgene ; Alpha (finance) ; Biology ; Gene ; Inflammation ; Drosophila melanogaster ; Drosophila (subgenus) ; Cell biology ; Gene expression ; Genetics ; Immunology ; Medicine Silk-based biomaterials and applications ; Invertebrate Immune Response Mechanisms ; Insect Resistance and Genetics
Authors: José Armando Fragoso-Mandujano | Madaín Pérez‐Patricio | Jorge Luis Camas‐Anzueto | Héctor Guerra-Crespo | E. Simá | Sabino Velázquez-Trujillo | Jehiely Belem Hernández Castillo
Source: Journal of Applied Research and Technology (article, 2022-03-02)
Field: Chemistry — Analytical Chemistry

Feasibility of Pulsed Thermography for Moisture Estimation The dehydration of farm products provides farmers an opportunity to preserve their products longer and simultaneously earn more profit from them. Nevertheless, traditionally the quality of the dehydrated products has been determined by the use of invasive methods, for example, through manual measurements with a Vernier caliper and a micrometer, has its greatest weakness in the monitoring of continuous production lines and, that is why an efficient methodology is often required for estimating the moisture in dehydrated products. The goal of this study was to explore the feasibility of pulsed thermography for estimating the moisture content of farm products in the drying process. In this paper, a methodology to estimate dehydration in real-time was developed and the design and construction of a real-time pulsed thermographic imaging system were described. Moreover, to demonstrate the principle of the operation, Neem (Azadirachta indica) leaves were used in a dehydration process. The specimen was submitted to a heat pulse, and its reaction through time was observed by an infrared camera, then, the sequence of captured images generates a characteristic curve. That curve relates the moisture content with the response to the heat pulse. The results demonstrated the efficiency of the pulsed thermography in differentiating the percentage of dehydration in Neem leaves. Thermography ; Dehydration ; Water content ; Moisture ; Environmental science ; Process engineering ; Materials science ; Mathematics ; Pulp and paper industry ; Computer science ; Infrared ; Engineering ; Chemistry ; Composite material ; Geotechnical engineering ; Optics Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Food Drying and Modeling
Authors: Hyeong Jun Kim | Jei Gyeong Jeon | Ju Hwan Lee | Ju Hyeon Kim | Junho Lee | Gilyong Shin | Tae June Kang
Source: Scientific Reports (article, 2022-06-07)
Field: Materials Science — Polymers and Plastics

Effect of heat treatment with different heat transfer modes on the polymerization of tosylate-doped poly(3,4-ethylenedioxythiophene) films In this work, tosylate-doped poly(3,4-ethylenedioxythiophene) (PEDOT:Tos) films are prepared by thermally assisted oxidative polymerization either on a hot plate or in a convection oven. The main difference between these heat treatments is the way heat is transferred (conduction or convection) during polymerization. The surface morphology and structure, doped state, chemical composition, and the changes in the physical and chemical properties of the differently heat-treated films are analyzed using various instrumental methods. The hot plate-treated films exhibit a smooth and dense surface morphology with a low root-mean-square roughness of ~ 5 nm. The films have a quinoid-prevalent thiophene structure with a high electrical conductivity of 575 S/cm. By contrast, the oven-treated films show a rough and porous morphology with a surface roughness ranging from 30 to 80 nm depending on the scanning area, which yields high absorption capacity of more than 90% in the near-infrared range. The oven-treated films show a benzenoid-prevalent structure that provides relatively low electrical conductivity of 244 ± 45 S/cm. As a demonstration of these noticeable changes, PEDOT:Tos films are examined as a photothermal conversion layer to convert light energy to thermal energy, which is converted to electrical energy using a thermoelectric device by covering the films on the device. Materials science ; PEDOT:PSS ; Polymerization ; Doping ; Surface roughness ; Chemical engineering ; Composite material ; Layer (electronics) ; Polymer chemistry ; Optoelectronics ; Polymer Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Advanced Thermoelectric Materials and Devices
Authors: Hui Kong | Xiaomin Luo | Peng Zhang | Jianyan Feng | Pengni Li | Wenjie Hu | Xuechuan Wang | Xinhua Liu
Source: Research Square (preprint, 2022-09-22)
Field: Materials Science — Materials Chemistry

Self-healing, Solvent-free Anti-corrosion Coating based on Skin-like polyurethane/carbon nanotubes Composite with Real-time Damage Monitoring Abstract Self-healing anti-corrosion coatings are widely regarded as a promising long-term corrosion protection strategy, and it is even more significant if the coating damage can be monitored in real-time and thus repaired. Inspired by the hierarchical structure of human skin, a self-healing solvent-free polyurethane/carbon nanotubes coating (SFPUHE-HTF-CNTs) with a skin-like bilayer structure was constructed by scraping and spraying techniques. The SFPUHE-HTF-CNTs is composed of a self-healing functional layer and a corrosion protection layer. In detail, the hydrophobic solvent-free polyurethane (SFPUHE-HTF) containing disulfide bonds and fluorinated polysiloxane chain segments consists of the self-healing functional layer, and the CNTs with good electrical conductivity consist of the corrosion protection layer, which also allows real-time monitoring of coating damage. SFPUHE-HTF-CNTs can self-repair cracks when heated at 60 ℃ for 16 min or irradiated with UV light at the energy of 200 for 48 h. The results of corrosion protection experiments indicate that the coating has a low corrosion current density (8.94×10 − 9 A·cm − 2 ), a positive corrosion potential (-0.38 V) and a high impedance modulus (|Z|=4.79×10 5 Ω·cm 2 ). The impedance modulus could still reach 4.54×10 4 Ω·cm 2 after self-healing, showing excellent self-healing properties for anti-corrosion protection. Synchronously, SFPUHE-HTF-CNTs exhibits satisfying damage sensing performance, enabling real-time monitoring of fractures at different sizes. This work realized the effective combination of self-healing performance and corrosion protection and real-time damage monitoring function through bionic design, and completed the simple, green, low-cost and rapid preparation of multi-functional self-healing coating, which has the advantage of scale production. Corrosion ; Materials science ; Coating ; Self-healing ; Polyurethane ; Composite material ; Composite number ; Carbon nanotube ; Layer (electronics) ; Modulus ; Carbon steel Corrosion Behavior and Inhibition ; Smart Materials for Construction ; Concrete Corrosion and Durability
Authors: Ahmet Mikail SARPKAYA | Nihat Arıkan
Source: Osmaniye Korkut Ata Üniversitesi Fen Edebiyat Fakültesi Dergisi (article, 2022-12-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Kübik Perovskit LaZnO3 Bileşiğinin Yapısal, Elektronik, Elastik ve Termodinamik Özelliklerini Araştırmak için Ab Initio Hesaplamaları Bu çalışmada, E21 fazındaki perovskit LaZnO3 bileşiğinin yapısal elastik, elektronik ve termodinamik özelliklerini incelemek ve derinlemesine anlamak için ab-initio hesaplamaları kullanılmıştır. Hesaplamalar, yoğunluk fonksiyonel teorisine (DFT) ve pseudopotansiyel yöntemine dayanan hesaplamalı yazılım paketi QUANTUM-ESPRESSO/PWSCF kullanılarak gerçekleştirilmiştir. Hesaplanan örgü parametresi (a0) önceki teorik çalışmalarla iyi bir uyum içindedir. Hesaplanan diğer parametreler, bulk modülü, anizotropi faktörü, Poisson oranı, elastik sabitler ve Young modülü gibi temel fiziksel özellikler elde edildi ve daha sonra teorik sonuçla karşılaştırıldı. Kübik perovskit LaZnO3 bileşiğinin elektronik bant profilini yorumlamak amacı için bant yapıları ve durumların yoğunluğu eğrileri sunulmuştur. Bileşiğin metalik doğası belirlenmiştir. Akabinde Debye sıcaklığı, erime sıcaklığı, iç enerji, titreşim enerjisi, entropi ve özgül ısı kapasitesi de 0–800 K sıcaklık aralığında değerlendirilmiştir. Physics Heusler alloys: electronic and magnetic properties ; Thermal Expansion and Ionic Conductivity ; Boron and Carbon Nanomaterials Research
Authors: Tobias Becker | Andreas Wiest | András Telek | Daniel Bejko | Anja Hoffmann‐Röder | Pavel Kielkowski
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-01-25)
Field: Chemistry — Spectroscopy

Transforming chemical proteomics enrichment into high-throughput method using SP2E workflow Abstract Protein post-translational modifications (PTMs) play a critical role in the regulation of protein catalytic activity, localization and protein-protein interactions. Attachment of PTMs onto proteins significantly diversifies their structure and function resulting in so-called proteoforms. However, the sole identification of post-translationally modified proteins, which are often cell type and disease specific, is still a highly challenging task. Sub-stoichiometric amounts and modification of low abundant proteins necessitate purification or enrichment of the modified proteins. Although the introduction of the mass spectrometry-based chemical proteomic strategies have enabled to screen protein PTMs with increased throughput, sample preparation has remained highly time consuming and tedious. Here, we report an optimized workflow for enrichment of PTM proteins in 96-well plate format which can be possible extended to robotic automatization. This platform allows to significantly lower the input of total protein, which opens up the opportunity to screen specialized and difficult to culture cell lines in high-throughput manner. The presented SP2E protocol is robust, time- and cost-effective as well as suitable for large-scale screening of proteoforms. Application of the SP2E protocol will thus enable the characterization of proteoforms in various processes such as neurodevelopment, neurodegeneration and cancer and may contribute to an overall acceleration of the recently launched Human Proteoform Project. Workflow ; Proteomics ; Posttranslational modification ; Throughput ; Computer science ; Computational biology ; Protocol (science) ; Identification (biology) ; Chemistry ; Biology ; Biochemistry ; Operating system Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Peptidase Inhibition and Analysis
Authors: Matz Liebel | Irene Calderón | Nicolás Pazos‐Pérez | N.F. van Hulst | Ramón A. Álvarez‐Puebla
Source: Angewandte Chemie (article, 2022-02-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Widefield SERS for High‐Throughput Nanoparticle Screening Abstract Surface‐enhanced Raman scattering (SERS) imaging is a powerful technology with unprecedent potential for ultrasensitive chemical analysis. Point‐by‐point scanning and often excessively long spectral acquisition‐times hamper the broad exploitation of the full analytical potential of SERS. Here, we introduce large‐scale SERS particle screening (LSSPS), a multiplexed widefield screening approach to particle characterization, which is 500–1000 times faster than typical confocal Raman implementations. Beyond its higher throughput, LSSPS simultaneously quantifies both the sample's Raman and Rayleigh scattering to directly quantify the fraction of SERS‐active particles which allows for an unprecedented correlation of SERS activity with particle size. . Raman scattering ; Rayleigh scattering ; Nanotechnology ; Raman spectroscopy ; Particle (ecology) ; Throughput ; Characterization (materials science) ; Materials science ; Nanoparticle ; Optics ; Physics ; Computer science ; Telecommunications ; Wireless Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Justin A. Mayer | Ram Seshadri
Source: Physical Review Materials (article, 2022-05-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electron count dictates phase separation in Heusler alloys Phase separation---and conversely, the propensity for solid-solution formation---in half-Heusler ($XYZ$) and Heusler ($X{Y}_{2}Z$) compounds is suggested from first-principles electronic-structure-based modeling to be strongly linked to the electronic behavior of the end-members. Alloying between distinct pairs of half-Heusler and Heusler compounds is possible at accessible processing temperatures when the two end-members are either isoelectronic or metallic. The formation of a band gap in semiconducting half-Heusler compounds is associated with significant stabilization. Attempts to create solid solutions with a semiconducting half-Heusler compound would lead to phase separation across the tie line because of the energy penalty associated with filling states in the gap. The alloying between two Heusler compounds, however, is expected even when the electronic behaviors of the end-members differ---clearly demonstrating the distinction between the underlying bonding within half-Heuslers and Heuslers: Half-Heuslers are well-defined intermetallics, whereas Heuslers tend to behave in a manner more in line with conventional alloys. The simple proxy related to electronic structure developed here differentiates Heusler and half-Heusler compositions that truly alloy from those that phase separate, aiding in the pursuit of reliable first-principles materials discovery. Materials science ; Heusler compound ; Intermetallic ; Alloy ; Electronic structure ; Condensed matter physics ; Phase (matter) ; Band gap ; Graphene ; Solid solution ; Crystallography ; Metal ; Nanotechnology ; Metallurgy ; Optoelectronics ; Physics ; Chemistry ; Quantum mechanics Heusler alloys: electronic and magnetic properties ; Intermetallics and Advanced Alloy Properties ; MXene and MAX Phase Materials
Authors: Maria Rosaria Marsico | Julián M. Londoño | Lü Li | Monica F. Craciun
Source: Advanced Engineering Materials (article, 2022-09-06)
Field: Materials Science — Polymers and Plastics

The Effect of Graphene Ultrasonic Coating on Recycled Rubber Herein, the mechanical behavior of a graphene‐recycled rubber compound is investigated by performing static and dynamic tests. Water‐based graphene suspension is deposited on recycled rubber pads via an electrostatic addition process. Results on tensile and compression tests indicate a significant improvement of the compound in strength and in damping. They also indicate that the compound experiences significant elongation (up to 500%) as well as withstands high tensile forces, 300% greater than the force that the recycled rubber mix would withstand. The effective compression modulus of the compound is also shown to increase by about 3.2 times at 10% strain with respect to the one for the recycled rubber mix. Results suggest that the graphene‐recycled rubber compound can deliver a sustainable solution for vibration mitigation applications. Materials science ; Natural rubber ; Composite material ; Ultimate tensile strength ; Graphene ; Coating ; Compression (physics) ; Modulus ; Suspension (topology) ; Elongation ; Nanotechnology Polymer Nanocomposites and Properties ; Dielectric materials and actuators ; Tribology and Wear Analysis
Authors: Alexander Blocher | Florian Mayer | Paul Schweng | Teresa M. Tikovits | Robert T. Woodward
Source: ChemRxiv (preprint, 2022-02-14)
Field: Materials Science — Materials Chemistry

A One-Pot Route to Fine-Tuned Hypercrosslinked Polymer Solid Acid Catalysts Highly acidic sulfonated polymers are promising heterogeneous catalysts due to their excellent chemical and thermal stability, as well as the possibility of employing low-cost synthesis routes. However, their production is time consuming and control of their chemical and physical properties is often difficult. Here, we produce sulfonated hypercrosslinked polymers using chlorosulfonic acid as a dual polymerisation catalyst and sulfonation agent, consolidating a conventional two-step process into a one-pot reaction. The synthesis time of the networks is reduced from 5-6 days to <24 hours, while significantly lowering or eliminating the requirement of some reagents. Furthermore, these sulfonated networks display superior acid site densities and porous properties to conventional equivalents. By varying the ratio of aromatic monomer with the multifunctional chlorosulfonic acid at the synthetic stage, excellent control over the polymers’ porous properties and sulfonation density is achieved, permitting judicious catalyst design. The ability of these polymers to act as heterogeneous acid catalysts is demonstrated via the hydrolysis of cyclohexyl acetate. Therein, it is shown that fine-tuning polymers has a dramatic effect on their catalytic performance and allows for the identification of key catalyst properties for optimal conversion. Catalysis ; Polymer ; Reagent ; Monomer ; Polymerization ; Thermal stability ; Hydrolysis ; Chemical engineering ; Porosity ; Materials science ; Organic chemistry ; Chemistry Covalent Organic Framework Applications ; Chemical Synthesis and Reactions ; Carbon dioxide utilization in catalysis
Authors: Menglu Cai | Xiaozhong Wang | Wenhui Cao | Yingqi Chen | Liyan Dai
Source: Journal of Materials Science (article, 2022-08-01)
Field: Chemistry — Inorganic Chemistry

Alkylation of anthracene with tert-amyl alcohol over boric acid-modified Fe-Zr mordenite catalyst Alkylation ; Mordenite ; Anthracene ; Catalysis ; Boric acid ; Reactivity (psychology) ; Organic chemistry ; Lewis acids and bases ; Selectivity ; Materials science ; Brønsted–Lowry acid–base theory ; Zeolite ; Inorganic chemistry ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis
Authors: Michael Kemper | Deborah A. Drost | Elric Engelage | Christian Merten
Source: Angewandte Chemie International Edition (article, 2022-10-17)
Field: Chemistry — Physical and Theoretical Chemistry

Stereochemistry Controls Dihydrogen Bonding Strengths in Chiral Amine Boranes Adducts The growing interest in exploiting novel concepts of non-covalent interactions in catalysts and supramolecular chemistry made us revisit a special kind of hydrogen bonding: the dihydrogen bond (DHB), formed between a classical hydrogen bond donor and a hydridic hydrogen as acceptor. Herein, we investigate how the strength of the N-H<sup>δ+</sup> ⋅⋅⋅<sup>δ-</sup> H-B interaction and hence the DHB-driven self-aggregation of amine-borane adducts is governed by steric effects by comparing the structures and binding enthalpies of various chiral derivatives. For a diastereomeric pair of amine-boranes prepared from a chiral secondary amine, we show that the stereochemistry at the nitrogen has significant influence on the interaction enthalpy. Based on this finding, N-chiral amine boranes can be envisioned to become interesting building blocks in supramolecular chemistry to fine-tune the formation dynamics of assemblies. Chemistry ; Steric effects ; Boranes ; Supramolecular chemistry ; Hydrogen bond ; Amine gas treating ; Adduct ; Covalent bond ; Computational chemistry ; Organic chemistry ; Molecule ; Boron Crystallography and molecular interactions ; Hydrogen Storage and Materials ; Organoboron and organosilicon chemistry
Authors: Ya‐Cheng Zhu | Fu‐Hua Xue | Li‐Xia Kang | Jianwei Liu | Ying Wang | Deng‐Yuan Li | Pei Nian Liu
Source: The Journal of Physical Chemistry Letters (article, 2022-11-08)
Field: Materials Science — Polymers and Plastics

Synthesis of Dendronized Polymers on the Au(111) Surface Dendronized polymers (DPs) consist of a linear polymeric backbone with dendritic side chains. Fine-tuning of the functional groups in the side chains enriches the structural versatility of the DPs and imparts a variety of novel physical properties. Herein, the first on-surface synthesis of DPs is achieved via the postfunctionalization of polymers on Au(111), in which the surface-confinement-induced planar conformation and chiral configurations were unambiguously characterized. While the dendronized monomer was synthesized <i>in situ</i> on Au(111), the subsequent polymerization afforded only short, cross-linked DP chains owing to multiple side reactions. The postfunctionalization approach selectively produced brominated polyphenylene backbone moieties by the deiodination polymerization of 4-bromo-4″-iodo-5'-(4-iodophenyl)-1,1':3',1″-terphenyl on Au(111), which smoothly underwent divergent cross-coupling reactions with two different isocyanides to form two types of DPs as individual long chains. Polymer ; Materials science ; Nanotechnology ; Polymer science ; Surface (topology) ; Chemical engineering ; Composite material ; Engineering Dendrimers and Hyperbranched Polymers ; Surface Chemistry and Catalysis ; Molecular Junctions and Nanostructures
Authors: Tomoaki Tanase | Kanako Nakamae | Yasuyuki Ura | Takayuki Nakajima
Source: Dalton Transactions (review, 2022-11-29)
Field: Chemistry — Organic Chemistry

Aiming for dynamic behaviours of molecular metal chains The dynamical functions of molecular metal chains, that could be derived from unique physical and chemical properties coupled with self-assembly of metal chain components, have largely been unexplored, and this review paper focuses on the dynamic behaviours of Pd chains supported by linear tetraphosphines, <i>meso</i>- and <i>rac</i>-Ph<sub>2</sub>PCH<sub>2</sub>P(Ph)CH<sub>2</sub>P(Ph)CH<sub>2</sub>PPh<sub>2</sub> recently reported, and the current development on fine-tuning of metal chains by introducing heterometal atoms, <i>i.e.</i> heterometallic molecular metal chains, that are considered as promising dynamical components in the next generation. Metal ; Materials science ; Current (fluid) ; Chemical physics ; Nanotechnology ; Chemistry ; Thermodynamics ; Metallurgy ; Physics Supramolecular Chemistry and Complexes ; Molecular Junctions and Nanostructures ; Metal-Organic Frameworks: Synthesis and Applications