jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiucai Liu
Source: Polymer Science Peer Review Journal (article, 2022-05-27)
Field: Materials Science — Biomaterials

Bio-Based Polyamides: A Commercial Demonstration of Synthetic Biology Polymer Science: Peer Review Journal Bio-Based Polyamides: A Commercial Demonstration of Synthetic Biology Alexander Kedo and Xiucai Liu* Cathay Biotech Inc, Shanghai, China *Corresponding author: Xiucai Liu, Cathay Biotech Inc, No.1690, Cailun Rd, Pudong District, Shanghai, China Submission: April 29, 2022;Published: May 27, 2022 DOI: 10.31031/PSPRJ.2022.03.000570 ISSN: 2770-6613 Volume3 Issue4 China ; Polyamide ; Library science ; Engineering ; Polymer science ; Biotechnology ; Biology ; Chemistry ; Political science ; Computer science ; Polymer chemistry ; Law biodegradable polymer synthesis and properties ; Chemistry and Chemical Engineering
Authors: Angze Li | Yiran Li
Source: Highlights in Science Engineering and Technology (article, 2022-07-27)
Field: Chemistry — Inorganic Chemistry

Carbon Dioxide Capture in Metal-Organic Framework The greatly risen level of atmospheric carbon dioxide after the industrial revolution leads to serious problems and concerns, including health issues and global warming. Therefore, the significance of carbon dioxide capture can not be overemphasized. Metal-organic framework (MOF), a brand-new and potential kind of material, can be utilized in several processes of CO2 capture because of its high capacity as well as high selectivity. In this review, the key parameters for evaluation of the MOF used for CO2 capture, which is directed related to the performance of materials, are addressed and discussed. Several important and practical evaluation indicators are also mentioned, for economic cost and stability, and tolerance to impurity. Additionally, factors that affect the performance of CO2 adsorption in both structural and external degrees of MOF are shown and reviewed. This article provides a different perspective of parameters for MOF materials and indicates critical features for the organic linkers and metal ions that are used to build the whole framework. Carbon dioxide ; Adsorption ; Metal-organic framework ; Environmental science ; Process engineering ; Carbon dioxide in Earth's atmosphere ; Biochemical engineering ; Computer science ; Materials science ; Chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies
Authors: Ryo Matsumoto | Sayaka Yamamoto | Y. Nemoto | Yuki Nishimiya | Yoshihiko Takano
Source: Condensed Matter (article, 2022-03-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrical Transport Measurements on Layered La(O,F)BiS2 under Extremely High Pressure Layered La(O,F)BiS2 exhibits drastic enhancements of the superconducting transition temperature (Tc) under high pressure among the BiS2-based superconducting family. However, the high-pressure application beyond a high-Tc phase of the monoclinic structure has not been conducted. In this study, the electrical transport properties in La(O,F)BiS2 single crystal are measured under high pressures up to 83 GPa. An insulating phase without superconductivity is observed under a higher-pressure region above 16 GPa. Moreover, the sample exhibits metallicity and superconductivity above 60 GPa. The newly observed hidden semiconducting phase and reentrant superconductivity have attracted much attention in BiS2-based compounds. Superconductivity ; Monoclinic crystal system ; Materials science ; Electrical resistivity and conductivity ; Phase (matter) ; Condensed matter physics ; High pressure ; Superconducting transition temperature ; Crystal structure ; Crystallography ; Chemistry ; Engineering physics ; Physics ; Organic chemistry Iron-based superconductors research ; Electronic and Structural Properties of Oxides ; Rare-earth and actinide compounds
Authors: Yashwantraj Seechurn | Luv Sharma Chuttoo
Source: Matéria (Rio de Janeiro) (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Corrosion of Carbon Steel in Mauritian water bodies Carbon steel is a commonly used metal in water applications in Mauritius. However, the corrosion resistance of steels and effectiveness of corrosion prevention methods in Mauritian water bodies are unknown. This study is performed to investigate the corrosion behavior of S235 carbon steel in the local tropical waters using various corrosion monitoring techniques. Specimens of the metal are subjected to a simple laboratory immersion test under ambient conditions according to ASTM G31. The coupons are immersed in three distinctively different waters. Upon removal after specific time intervals over a 3-month period, the mass loss, thickness loss and surface roughness are duly evaluated. Mass loss and thickness loss variation with time of immersion are obtained in the form of the power law function. Regarding the surface roughness parameters measured, it is observed that they change logarithmically with corrosion loss due to increasing thickness of the rust layer. A general deterministic model in terms of Rp and Rq is successfully stemmed using Genetic Programming to forecast the corrosion rate. Corrosion ; Materials science ; Carbon steel ; Metallurgy ; Immersion (mathematics) ; Surface roughness ; Surface finish ; Metal ; Carbon fibers ; Composite material ; Composite number Corrosion Behavior and Inhibition ; Structural Integrity and Reliability Analysis ; Concrete Corrosion and Durability
Authors: Astrid Berge | Suzi Pugh | Marion Short | Chanjot Kaur | Ziheng Lu | Jung‐Hoon Lee | Chris J. Pickard | Abdelhamid Sayari | Alexander C. Forse
Source: ChemRxiv (preprint, 2022-10-14)
Field: Chemistry — Spectroscopy

Revealing Carbon Capture Chemistry with 17-Oxygen NMR Spectroscopy Carbon dioxide capture is an essential greenhouse mitigation technology to achieve netzero emissions. A key hurdle to the design of improved carbon capture materials is the lack of adequate tools to characterise how CO2 adsorbs. Solid-state nuclear magnetic resonance (NMR) spectroscopy is emerging as a promising probe of CO2 capture, but it remains challenging to distinguish different adsorption products. Here we perform a comprehensive computational investigation of 22 amine-functionalised metal-organic frameworks and discover that 17O NMR is a powerful probe of CO2 capture chemistry that provides excellent differentiation of ammonium carbamate and carbamic acid species. The computational findings are supported by 17O NMR experiments on a series of CO2-loaded frameworks that clearly identify ammonium carbamate chain formation and provide new evidence for a mixed carbamic acid – ammonium carbamate adsorption mode. The fine sensitivity of 17O NMR to local chemistry also shows that hydrogen bonding schemes proposed in previous ammonium carbamate chain structures may be inaccurate and new structures are proposed. We further discover a new mixed CO2 adsorption mechanism and show that carbamic acid formation is more prevalent in this materials class than previously believed. Finally, we show that our methods are readily applicable to other adsorbents, and find support for ammonium carbamate formation in amine-grafted silicas. Overall our work paves the way for new investigations of carbon capture chemistry that can enable the design of improved materials. Carbamic acid ; Chemistry ; Carbamate ; Adsorption ; Carbon chain ; Nuclear magnetic resonance spectroscopy ; Carbon fibers ; Amine gas treating ; Ammonium ; Combinatorial chemistry ; Organic chemistry ; Materials science Advanced NMR Techniques and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Atomic and Subatomic Physics Research
Authors: Astrid Berge | Suzi Pugh | Marion Short | Chanjot Kaur | Ziheng Lu | Jung‐Hoon Lee | Chris J. Pickard | Abdelhamid Sayari | Alexander C. Forse
Source: ChemRxiv (preprint, 2022-05-04)
Field: Chemistry — Spectroscopy

Revealing Carbon Capture Chemistry with 17-Oxygen NMR Spectroscopy Carbon dioxide capture is an essential greenhouse mitigation technology to achieve netzero emissions. A key hurdle to the design of improved carbon capture materials is the lack of adequate tools to characterise how CO2 adsorbs. Solid-state nuclear magnetic resonance (NMR) spectroscopy is emerging as a promising probe of CO2 capture, but it remains challenging to distinguish different adsorption products. Here we perform a comprehensive computational investigation of 22 amine-functionalised metal-organic frameworks and discover that 17O NMR is a powerful probe of CO2 capture chemistry that provides excellent differentiation of ammonium carbamate and carbamic acid species. The computational findings are supported by 17O NMR experiments on a series of CO2-loaded frameworks that clearly identify ammonium carbamate chain formation and provide new evidence for a mixed carbamic acid – ammonium carbamate adsorption mode. The fine sensitivity of 17O NMR to local chemistry also shows that hydrogen bonding schemes proposed in previous ammonium carbamate chain structures may be inaccurate and new structures are proposed. We further discover a new mixed CO2 adsorption mechanism and show that carbamic acid formation is more prevalent in this materials class than previously believed. Finally, we show that our methods are readily applicable to other adsorbents, and find support for ammonium carbamate formation in amine-grafted silicas. Overall our work paves the way for new investigations of carbon capture chemistry that can enable the design of improved materials. Carbamic acid ; Chemistry ; Carbamate ; Adsorption ; Carbon chain ; Nuclear magnetic resonance spectroscopy ; Carbon fibers ; Amine gas treating ; Ammonium ; Combinatorial chemistry ; Organic chemistry ; Materials science Advanced NMR Techniques and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Atomic and Subatomic Physics Research
Authors: E Blanco-Rayon | L Guilhermino | I Marigomez | U Izagirre | Cordao Neto | M Hernandez | O Reinaldo | R Borges | C Caicedo | B | Daniell Malo | D Van Deventer | P | P Ding | D Xu | N Dong | Y Chen | P Xu | D Zheng | X Li | El Khalidi | Z Hartiti | B Siadat | M Comini | E Arachchige | H Fadili | S Thevenin | M Garmendia | F Silvia | O Linero | A Gredilla | G Arana | M Soto | A Diego | A Gosset | C Durrieu | P Barbe | C Bazin | R Bayard | R Grace | S Manju | L He | J Li | J Shen | Y Zhang | J Hu | B Zheng | C Wang | C Zhao | X Hou | Q Pan | Z Xu | P Li | Z Zhang | Li Sun | L Li | C Zhang | C Su | Z Chen | C | Z Kumar | N | S Magne | S Nehr | X Buet | A Bentab | E Porcheron | R Grosseuvres | E Studer | R Scarpa | D Abdo | J Widloecher | E Mansouri | J Karamdel | M Ahmadi | M Berahman | C Marchant | V Leiva | G Christakos | M Cavieres | A Mihaita | L Dupont | O Chery | M Camargo | C Cai | S Mishra | A Kushwaha | D Aggrawal | A Gupta | G Morscher | R Maxwell | C Okolie | H Chen | Y Zhao | D Tian | L Zhang | V Polyanin
Source: Global NEST Journal (article, 2022-02-14)
Field: Chemistry — Spectroscopy

Nano Sensor for Near Zero Emission Monitoring of Sulfur Hexafluoride &lt;p&gt;Aiming at the problems of long monitoring time, low sensitivity and low precision of traditional methods, a nano sensor for near zero emission monitoring of sulfur hexafluoride (SF6) was proposed. The characteristics of SF6 gas were analyzed. The infrared spectrum of SF6 gas was obtained by spectral absorption method. The laser of Laixi series is used as the hardware of SF6 gas monitoring. The nano sensor array is designed, and the near zero emission state of SF6 is monitored by using the nano sensor node optimization method. The experimental results show that compared with the traditional method, the nano sensor method can shorten the monitoring time (less than 3.0 seconds), improve the monitoring sensitivity and accuracy. The results show that the method can monitor the air emission and environmental pollution accurately and timely.&lt;/p&gt;&#x0D; Sulfur hexafluoride ; Zero emission ; Nano- ; Sensitivity (control systems) ; Environmental science ; Materials science ; Analytical Chemistry (journal) ; Chemistry ; Electronic engineering ; Environmental chemistry ; Engineering ; Electrical engineering Spectroscopy and Laser Applications ; Air Quality Monitoring and Forecasting ; Conferences and Exhibitions Management
Authors: Yücel ÇOŞKUN | Mehmet Barış Tabakcioğlu
Source: Journal of Innovative Science and Engineering (JISE) (article, 2022-02-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electromagnetic shielding characteristics of carbon and glass fiber composites Electromagnetic shielding characteristics for orientation angle and number of plies of carbon fiber reinforced epoxy composites were investigated in the frequency range between 900 and 6000 MHz. In this study, both unidirectional and bidirectional carbon fiber fabrics were utilized as reinforcement materials to manufacture the composite samples. Twill bidirectional glass fiber fabrics were also used in order to provide a large amount of flexibility. To prepare the composite laminates for measurement, hand lay-up method was preferred. Measurements were carried out by using DFG 4060 signal generator and HF 60105 spectrum analyzer. According to the measurements, it was observed that electromagnetic shielding effectiveness (EMSE) was very higher when the orientation angle of the carbon fiber was 90°, as compared to 0°. Another parameter that affects EMSE is whether the carbon fiber fabric used is unidirectional or bidirectional because it was observed that the bidirectional fabric increased EMSE. In addition, it has been determined that the number of plies has less effect on EMSE than the orientation angle. Materials science ; Composite material ; Electromagnetic shielding ; Composite number ; Fiber ; Epoxy ; Glass fiber ; Spectrum analyzer ; SIGNAL (programming language) ; Optics ; Computer science Electromagnetic wave absorption materials ; Electromagnetic Fields and Biological Effects ; Advanced Antenna and Metasurface Technologies
Authors: Aleksandra A. Petelski | Nikolai Slavov | Harrison Specht
Source: Journal of Visualized Experiments (article, 2022-12-09)
Field: Chemistry — Spectroscopy

Single-Cell Proteomics Preparation for Mass Spectrometry Analysis Using Freeze-Heat Lysis and an Isobaric Carrier Single-cell proteomics analysis requires sensitive, quantitatively accurate, widely accessible, and robust methods. To meet these requirements, the Single-Cell ProtEomics (SCoPE2) protocol was developed as a second-generation method for quantifying hundreds to thousands of proteins from limited samples, down to the level of a single cell. Experiments using this method have achieved quantifying over 3,000 proteins across 1,500 single mammalian cells (500-1,000 proteins per cell) in 10 days of mass spectrometer instrument time. SCoPE2 leverages a freeze-heat cycle for cell lysis, obviating the need for clean-up of single cells and consequently reducing sample losses, while expediting sample preparation and simplifying its automation. Additionally, the method uses an isobaric carrier, which aids protein identification and reduces sample losses. This video protocol provides detailed guidance to enable the adoption of automated single-cell protein analysis using only equipment and reagents that are widely accessible. We demonstrate critical steps in the procedure of preparing single cells for proteomic analysis, from harvesting up to injection to liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. Additionally, viewers are guided through the principles of experimental design with the isobaric carrier, quality control for both isobaric carrier and single-cell preparations, and representative results with a discussion of limitations of the approach. Isobaric labeling ; Mass spectrometry ; Isobaric process ; Proteomics ; Sample preparation ; Computer science ; Lysis ; Chromatography ; Shotgun proteomics ; Tandem mass tag ; Chemistry ; Orbitrap ; Tandem mass spectrometry ; Protocol (science) ; Quantitative proteomics ; Protein mass spectrometry ; Biochemistry ; Medicine ; Physics Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Single-cell and spatial transcriptomics
Authors: A. F. Al-Refaie | Olivia Vénot | Quentin Changeat | Billy Edwards
Source: arXiv (Cornell University) (preprint, 2022-09-22)
Field: Chemistry — Analytical Chemistry

FRECKLL: Full and Reduced Exoplanet Chemical Kinetics distiLLed We introduce a new Python 1D chemical kinetic code FRECKLL (Full and Reduced Exoplanet Chemical Kinetics distiLLed) to evolve large chemical networks efficiently. FRECKLL employs `distillation' in computing the reaction rates, which minimizes the error bounds to the minimum allowed by double precision values ($ε\leq 10^{-15}$). Compared to summation of rates with traditional algorithms like pairwise summation, distillation provides a tenfold reduction in solver time for both full and reduced networks. Both the full and reduced Venot2020 networks are packaged in FRECKLL as well as a TauREx 3.1 plugin for usage in forward modelling and retrievals of exoplanet atmospheres. We present TauREx retrievals performed on a simulated HD189733 JWST spectra using the full and reduced Venot2020 chemical networks and demonstrate the viability of total disequilibrium chemistry retrievals and the ability for JWST to detect disequilibrium processes. Disequilibrium ; Exoplanet ; Kinetics ; Code (set theory) ; Distilled water ; Atmosphere (unit) ; Chemistry ; Biological system ; Computer science ; Environmental science ; Physics ; Planet ; Thermodynamics ; Astrophysics ; Chromatography ; Set (abstract data type) ; Biology Spectroscopy and Chemometric Analyses
Authors: Zhiyi Wang
Source: Computational Intelligence and Neuroscience (article, 2022-07-21)
Field: Materials Science — Materials Chemistry

Integral Fire Protection Analysis of Complex Spatial Steel Structure Based on Optimized Gaussian Transformation Model The rapid development of complex space steel structure buildings has brought new challenges to structural fire protection analysis and design. On the basis of analyzing the deficiencies of structural fire protection design in existing normative and performance-based design methods and based on the knowledge and research results of fire science, structural engineering, computer simulation, and other disciplines, this paper proposes an improved Gaussian transformation model and applied it to the overall fire performance analysis of this complex space steel structure. The proposed model is based on theoretical research and practical application of the simulation and analysis of the overall fire performance of complex spatial buildings. The coupled analysis model and system integration method of spatial overall structure fire and structure are established. The improved Gaussian transformation model is used to propose the integrity of complex spatial structures. It is a system analysis model for fire analysis. The experimental results show that the designed algorithm model can effectively realize the overall fire performance analysis of complex spatial steel structures and can provide a useful reference for China's building fire protection research, building fire protection design, fire rescue, emergency plan formulation, and other engineering practical applications. Fire protection ; Transformation (genetics) ; Computer science ; Fire protection engineering ; Structural system ; Firefighting ; Plan (archaeology) ; Gaussian ; Civil engineering ; Systems engineering ; Architectural engineering ; Engineering Structural mechanics and materials
Authors: Ibrahim M. Almanjahie | Omar Fetitah | Mohammed Kadi Attouch | Tawfik Benchikh
Source: Computers, materials & continua/Computers, materials & continua (Print) (article, 2022-12-29)
Field: Chemistry — Analytical Chemistry

Functional Nonparametric Predictions in Food Industry Using Near-Infrared Spectroscopy Measurement Functional statistics is a new technique for dealing with data that can be viewed as curves or images. Parallel to this approach, the Near-Infrared Reflectance (NIR) spectroscopy methodology has been used in modern chemistry as a rapid, low-cost, and exact means of assessing an object’s chemical properties. In this research, we investigate the quality of corn and cookie dough by analyzing the spectroscopic technique using certain cutting-edge statistical models. By analyzing spectral data and applying functional models to it, we could predict the chemical components of corn and cookie dough. Kernel Functional Classical Estimation (KFCE), Kernel Functional Quantile Estimation (KFQE), Kernel Functional Expectile Estimation (KFEE), Semi-Partial Linear Functional Classical Estimation (SPLFCE), Semi-Partial Linear Functional Quantile Estimation (SPLFQE), and Semi-Partial Linear Functional Expectile Estimation (SPLFEE) are models used to accurately estimate the different quantities present in Corn and Cookie dough. The selection of these functional models is based on their ability to construct a forecast region with a high level of confidence. We demonstrate that the considered models outperform traditional models such as the partial least-squares regression and the principal component regression in terms of prediction accuracy. Furthermore, we show that the proposed models are more robust than competing models such as SPLFQE and SPLFEE in the sense that data heterogeneity has no effect on their efficiency. Partial least squares regression ; Principal component analysis ; Kernel (algebra) ; Kernel regression ; Principal component regression ; Kernel density estimation ; Linear model ; Nonparametric statistics ; Mathematics ; Quantile regression ; Functional data analysis ; Computer science ; Quantile ; Artificial intelligence ; Pattern recognition (psychology) ; Statistics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Ana Martínez‐Val | Kyle L. Fort | Claire Koenig | Leander van der Hoeven | Giulia Franciosa | Thomas J. Moehring | Yasushi Ishihama | Yu‐Ju Chen | Alexander Makarov | Yue Xuan | Jesper V. Olsen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-12-20)
Field: Chemistry — Spectroscopy

Hybrid-DIA: Intelligent Data Acquisition for Simultaneous Targeted and Discovery Phosphoproteomics in Single Spheroids Abstract Achieving sufficient coverage of regulatory phosphorylation sites by mass spectrometry (MS)-based phosphoproteomics for signaling pathway reconstitution is challenging when analyzing tiny sample amounts. We present a novel hybrid data-independent acquisition (DIA) strategy (hybrid-DIA) that combines targeted and discovery proteomics through an Application Programming Interface (API) to dynamically intercalate DIA scans with accurate triggering of multiplexed tandem MS scans of predefined (phospho)peptide targets. By spiking-in heavy stable isotope labeled phosphopeptide standards covering seven major signaling pathways, we benchmarked hybrid-DIA against state-of-the-art targeted MS methods (i.e. SureQuant) using EGF-stimulated HeLa cells and found the quantitative accuracy and sensitivity to be comparable while hybrid-DIA also profiled the global phosphoproteome. To demonstrate the robustness, sensitivity and potential of hybrid-DIA, we profiled chemotherapeutic agents in single colon carcinoma multicellular spheroids and evaluated the difference of cancer cells in 2D vs 3D culture. Altogether, we showed that hybrid-DIA is the way-to-go method in highly sensitive phospho-proteomics experiments. Phosphoproteomics ; Phosphopeptide ; Proteomics ; Computational biology ; Quantitative proteomics ; Chemistry ; HeLa ; Computer science ; Peptide ; Phosphorylation ; Biology ; Protein phosphorylation ; Cell ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies