jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tomoaki Suzudo | Kein-ichi EBIHARA | Tomohito Tsuru | Hideki Mori
Source: Journal of the Society of Materials Science Japan (article, 2024-02-15)
Field: Materials Science — Materials Chemistry

Large-Scale Atomistic Simulations of Cleavage in BCC Fe using Machine-Learning Potential It is well known that body-centered cubic (bcc) transition metals such as α-Fe become brittle below the ductile to brittle transition temperature (DBTT). Although the fracture occurs on a macroscopic scale, it consists of a series of interatomic bond breaking events; therefore, accurate atomistic modeling is critical to understanding this phenomenon. In this work, atomistic simulations of curved crack fronts of α-Fe were performed using an interatomic potential generated by a machine learning technique. For this purpose, large simulation boxes consisting of ∼26 million atoms were used. We obtained evidence that the cleavage plane is {100}, and the cleavages are accompanied by crack tip plasticity at elevated temperature. Cleavage (geology) ; Scale (ratio) ; Atomic units ; Materials science ; Computer science ; Nanotechnology ; Physics ; Composite material Machine Learning in Materials Science ; Nuclear Materials and Properties ; Powder Metallurgy Techniques and Materials
Authors: Alirio Andres Bautista Villamil | Alejandro Marañón | J. P. Casas | Tobias Benitez | E. Pavolini
Source: Experimental Mechanics (article, 2024-11-05)
Field: Materials Science — Materials Chemistry

An Attempt to Predict Transparent Armor Ballistic Performance through Quasi-Static Punch Shear Test Abstract Background Transparent armor systems are traditionally designed following a trial-and-error approach, which involves high development costs associated with ballistic testing. This research article presents a novel methodology, termed quasi-static multi-punch shear testing, within the domain of transparent armor systems. Objective The primary aim is to establish a correlation between multi-hit ballistic tests at Level III-A according to the NIJ 0108.01 standard, achieved through an adaptation of the single-shot ballistic limit methodology, and the quasi-static multi-punch shear testing. The objective is to utilize a simple experimental methodology that provides insights into the multi-hit ballistic behavior of transparent armors. Methods Parameters such as absorbed energy and observed damage mechanisms were utilized to assess the potential relationship between these tests. Transparent armor samples that underwent testing using the quasi-static multi-punch shear test were subsequently cross-sectioned using a water jet cutting machine to facilitate visualization of material damage. In addition, drawing on insights from quasi-static multi-punch shear testing results, the K-means clustering algorithm was employed to predict the likelihood of a specific transparent armor system passing a multi-hit ballistic test. Results Various damage mechanisms were observed as a function of the punch displacement, and correlations were made with the load–displacement curves. Furthermore, the implementation of the K-means clustering algorithm successfully classified transparent armor into two groups: those that passed the ballistic test and those that did not. Conclusions This research significantly advances understanding of transparent armor system behavior under multi-hit conditions and offers a promising predictive tool for evaluating their performance through straightforward and cost-effective experimentation. Armour ; Solid mechanics ; Shear (geology) ; Materials science ; Structural engineering ; Test (biology) ; Mechanics ; Composite material ; Geology ; Engineering ; Physics High-Velocity Impact and Material Behavior ; Transportation Safety and Impact Analysis ; Engineering and Material Science Research
Authors: Ran Zhang | Joanna Bons | Jacob Rose | Birgit Schilling | Eric Verdin
Source: STAR Protocols (article, 2024-05-20)
Field: Chemistry — Spectroscopy

Protocol for mass spectrometric profiling of lysine malonylation by lysine acetyltransferase in CRISPRi K562 cell lines Lysine malonylation is a protein posttranslational modification. We present a protocol to generate stable gene-knockdown K562 cell lines through lentiviral infection of a CRISPR interference (CRISPRi) system followed by lysine malonylation measurement using mass spectrometry (MS). We detail guide RNA (gRNA) vector cloning, lentiviral infection, cell line purification, protein digestion, malonyl-lysine enrichment, desalting, and MS acquisition and analysis. For complete details on the use and execution of this protocol, please refer to Zhang et al.<sup>1</sup> and Bons et al.<sup>2</sup>. Lysine ; Profiling (computer programming) ; Acetyltransferase ; Chemistry ; Acetylation ; Biochemistry ; Computational biology ; Biology ; Computer science ; Amino acid ; Programming language Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Enzyme Structure and Function
Authors: Xiaowen Zhou | Xiaoqin Yang | Xiaoping Rao | Ying‐Jun Zhang | Ping Zhao | Jiang Qian
Source: International Journal of Molecular Sciences (article, 2024-10-30)
Field: Chemistry — Spectroscopy

Two Novel Fluorescence Probes Based on Caffeic Acid Derivative for Phosphate Ions and Their Applications in Biological Samples Phosphate is widely used in industry and agriculture fields. However, excess accumulation of PO<sub>4</sub><sup>3-</sup> causes several adverse effects on the human body and ecological environment. Consequently, it is important to develop a simple method for the detection of PO<sub>4</sub><sup>3-</sup> concentration in the ecological environment and in vivo. Herein, two caffeic acid derivative-based fluorescence probes (<b>BAM-HM</b> and <b>BAM-HH</b>) were developed for the detection of phosphate. The <b>BAM-HM</b> probe could detect phosphate via fluorescence enhancement at 500 nm, with the detection limit being 0.612 µM. Meanwhile, the <b>BAM-HH</b> probe showed a significant turn-on signal at 450 nm after the addition of phosphate, and the detection limit was calculated to be 0.318 µM. The sensing mechanism was determined by <sup>1</sup>H NMR and MS. Furthermore, the two probes (<b>BAM-HM</b> and <b>BAM-HH</b>) were applied for PO<sub>4</sub><sup>3-</sup>detection in living cells and water samples. Caffeic acid ; Fluorescence ; Phosphate ; Chemistry ; Derivative (finance) ; Ion ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Physics ; Optics ; Antioxidant Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques ; Analytical Chemistry and Sensors
Authors: Tasmiyah Javed | Oluwaloba Oluwole-ojo | Martin Howarth | Xu Xu | Mahdi Rashvand | Hongwei Zhang
Source: Applied Sciences (article, 2024-09-27)
Field: Chemistry — Analytical Chemistry

Application of Advanced Process Control to a Continuous Flow Ohmic Heater: A Case Study with Tomato Basil Sauce Improving the efficiency and performance of control systems in food processing remains a significant challenge for engineers and researchers. In this paper, Proportional, Integral, and Derivative (PID) control; Model Predictive Control (MPC); and Adaptive Model Predictive Control (AMPC) were implemented on a Continuous Flow Ohmic Heater (CFOH) pilot plant to process tomato basil sauce. The sauce, composed of tomato puree, basil, spices, and other ingredients, was used to assess the effectiveness of these advanced control strategies. This research presents a case study on the pilot-scale heating of tomato basil sauce, with applications in the broader food industry. The performances and energy efficiencies of the different control techniques were compared, demonstrating significant improvements in controlling the CFOH process. The results highlight the industrial practicality of using CFOH technology with advanced process controls for food processing. Process engineering ; Materials science ; Process (computing) ; Computer science ; Mechanical engineering ; Engineering Spectroscopy and Chemometric Analyses ; Listeria monocytogenes in Food Safety ; Microbial Inactivation Methods
Authors: Blake D. Fonda | Masato Kato | Yang Li | Dylan T. Murray
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-06-02)
Field: Chemistry — Spectroscopy

Cryo-EM and Solid State NMR Together Provide a More Comprehensive Structural Investigation of Protein Fibrils The Tropomyosin 1 isoform I/C C-terminal domain (Tm1-LC) fibril structure is studied jointly with cryogenic electron microscopy (cryo-EM) and solid state nuclear magnetic resonance (NMR). This study demonstrates the complementary nature of these two structural biology techniques. Chemical shift assignments from solid state NMR are used to determine the secondary structure at the level of individual amino acids, which is faithfully seen in cryo-EM reconstructions. Additionally, solid state NMR demonstrates that the region not observed in the reconstructed cryo-EM density is primarily in a highly mobile random coil conformation rather than adopting multiple rigid conformations. Overall, this study illustrates the benefit of investigations combining cryo-EM and solid state NMR to investigate protein fibril structure. Solid-state nuclear magnetic resonance ; Cryo-electron microscopy ; Random coil ; Crystallography ; Fibril ; Solid-state ; Structural biology ; Chemistry ; Nuclear magnetic resonance spectroscopy ; Protein structure ; Materials science ; Nuclear magnetic resonance ; Physics ; Stereochemistry ; Biochemistry ; Physical chemistry Advanced NMR Techniques and Applications ; RNA modifications and cancer ; Advanced Electron Microscopy Techniques and Applications
Authors: Kalapala Prasad | Thengiri Subbulakshmi Senthil | P. Premkumar | Ravishankar Sathyamurthy | Ismail Hossain | O. J. Ajao Et. al. | M.A. Kalam | K. Senthil | Chathapuram Balasubramanian Priya
Source: Thermal Science (article, 2024-01-01)
Field: Materials Science — Ceramics and Composites

Influence of substrate surface roughness on the thermal emissivity of titanium carbide coatings on graphite This study focused on the impact of substrates shape on the heat radiationcharacteristics of a coating made of titanium carbide, TiC, deposited over a graphite basis. The TiC coating emissivity increase by 29.65% at 1050?C and by 37.45% at 1650?C when graphite, substrate surface roughness, was decreased from 3.01 ?m to 0.73 ?m. Simultaneously, the TiC coating?s spectrum emissivity on the graphite substrate indicated the material?s clear characteristic heat radiation. These findings demonstrated that the coating and substrate interacted to determine the coating?s heat radiation properties. A simplified coating model created to consider how the shape of the substrate affects the coating?s ability to conduct heat. Ultimately, the rough form of the substrate led to a decrease in the coating?s heat radiation characteristics and an enhancement in energy loss at the interface. Emissivity ; Materials science ; Titanium carbide ; Graphite ; Surface roughness ; Carbide ; Substrate (aquarium) ; Titanium ; Surface finish ; Composite material ; Silicon carbide ; Metallurgy ; Optics ; Geology Advanced ceramic materials synthesis ; Advanced materials and composites ; Metal and Thin Film Mechanics
Authors: Qian Bao | Xiuting Guo | Bo Li | Wuyi Chen | Zhenping Wang | Yang Xiao
Source: Processes (article, 2024-11-29)
Field: Materials Science — Materials Chemistry

Performance and Reliability of Thermoelectric Conversion Using a Crooked Thermosyphon to Enhance Heat Transfer from Coal Fires A large amount of energy can accumulate and be stored during underground coal fires. As thermal energy cannot be easily removed using the traditional technologies of fire prevention and extinguishment, there is a potential benefit to collecting and utilizing thermal energy from coal fires and converting it to electrical energy. Thus, this work proposes a thermoelectric generator as a solution to convert thermal energy from coal fires to electrical energy. To improve the thermal energy conversion efficiency, an experimental test system was established using a thermosyphon, an electric heating module, a cooling circulation module, a thermoelectric module, and a data acquisition module. Under the condition of ensuring the same input heat and cooling boundary conditions, the influence of three factors, namely the cooling method, the connection method, and the coverage rate of thermoelectric devices, on the performance of the coal fire waste heat conversion system was studied. The results show that, compared with air cooling, water cooling provides a greater temperature difference for the thermoelectric module, and the maximum temperature difference can reach 65.90 °C. Series connection between thermoelectric devices will generate a higher open-circuit voltage and output voltage. The maximum horizontal open-circuit voltage value can reach 3.34 V, and the maximum output voltage is 2.61 V. Compared with the coverage rates of thermoelectric devices of 15.0% and 30.0%, the output power under the coverage rate of 22.5% is the largest at 0.35 W, and its thermoelectric conversion efficiency is also the largest at 0.35%. The optimal combination of thermoelectric modules obtained from the research results can provide ideas for the application of in situ coal fire prevention and control. Thermosiphon ; Reliability (semiconductor) ; Heat transfer ; Coal ; Environmental science ; Engineering ; Mechanical engineering ; Materials science ; Waste management ; Thermodynamics ; Heat exchanger ; Physics Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Phase Change Materials Research
Authors: Hugo B.C. Kleikamp | Ramon van der Zwaan | Ramon van Valderen | Jitske M. van Ede | Mario Pronk | Pim Schaasberg | Maximilienne T. Allaart | Mark C.M. van Loosdrecht | Martin Pabst
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-04-06)
Field: Chemistry — Spectroscopy

NovoLign: metaproteomics by sequence alignment ABSTRACT Tremendous advances in mass spectrometric and bioinformatic approaches have expanded proteomics into the field of microbial ecology. The commonly used spectral annotation method for metaproteomics data relies on database searching, which requires sample-specific databases obtained from whole metagenome sequencing experiments. However, creating these databases is complex, time-consuming, and prone to errors, potentially biasing experimental outcomes and conclusions. This asks for alternative approaches that can provide rapid and orthogonal insights into metaproteomics data. Here we present NovoLign, a de novo metaproteomics pipeline that performs sequence alignment of de novo sequences from complete metaproteomics experiments. The pipeline enables rapid taxonomic profiling of complex communities and evaluates the taxonomic coverage of metaproteomics outcomes obtained from database searches. Furthermore, the NovoLign pipeline supports the creation of reference sequence databases for database searching to ensure comprehensive coverage. The NovoLign pipeline is publicly available via: https://github.com/hbckleikamp/NovoLign . Metaproteomics ; Pipeline (software) ; Metagenomics ; Computer science ; Data mining ; Sequence (biology) ; Sequence database ; Streaking ; Computational biology ; Database ; Biology ; Gene Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies ; Microbial Community Ecology and Physiology
Authors: Muhammad Abdurrahman Munir
Source: ASM Science Journal (article, 2024-02-02)
Field: Chemistry — Analytical Chemistry

The Chemometric Approach for Verification of Paracetamol Level in Pharmacies Products Using Spectrophotometer UV-Vis The objective of this study is to inspect paracetamol levels in Indonesian pharmacies and whether the level of paracetamol is matched the label given. The verification of paracetamol level using a chemometric approach such as partial least squares (PLS) and principal component regression (PCR) after measured with spectrophotometer UV. The outcome of this study showed the absorbance at 242 with an R2 (0.9991) and the linear range at 1.0 – 6.0 μg·mL-1. The accuracy was satisfactory and obtained at 99.18%. The satisfactory outcomes revealed the identification method has a good potential to be used in inspecting the paracetamol level in pharmaceutical products. Furthermore, the chemometric method used as a statistical measurement showed that there was no specific distinction to the validated approach. Thus, this approach can be applied in pharmacy industries specifically for small industries to ensure the medicine's safety before being distributed to the pharmacies. Pharmacy ; Process engineering ; Chemometrics ; Ultraviolet visible spectroscopy ; Chromatography ; Chemistry ; Computer science ; Environmental science ; Biochemical engineering ; Medicine ; Engineering ; Organic chemistry Analytical Methods in Pharmaceuticals
Authors: Yue Zhang | Yansong Wang | Hongyue Hao | Ziqi Li | Yumei Long | Xingyu Zhang | Chenzhen Xia
Source: Preprints.org (preprint, 2024-08-12)
Field: Chemistry — Analytical Chemistry

Uav Hyperspectral Imagery Mining to Identify New Spectral Indices for Predicting Field-Scale Yield of Spring Maize Non-destructive, accurate, and timely approach for crop yield prediction at field scale is vital for precision agriculture. This study aimed to investigate the appropriate wavelengths and their combinations to explore the new SIs derived from UAV hyperspectral images in predicting yield during the growing season of spring maize. The best wavelengths and new SIs, including the difference spectral index, ratio spectral index, and normalized difference spectral index forms, were obtained by the contour maps constructed by the coefficient of determination (R2) from the linear regression models between the yield and all possible SIs screening out from the 450-950 nm wavelengths. The results showed that the most sensitive wavelengths were 640-714 nm at WJQ, 450-650 nm and 750-950 nm at SKS, and 450-700 nm and 750-950 nm at FJJ. The new SIs established here were different across the three experimental fields, and their performance on maize yield prediction were generally better than that of the published SIs. In addition, the new SIs presented different response to various N fertilization levels. This study demonstrated the potential of exploring new spectral characteristics from remote sensing technology for predicting field-scale crop yield in spring maize cropping systems before harvest. Hyperspectral imaging ; Spring (device) ; Scale (ratio) ; Yield (engineering) ; Field (mathematics) ; Remote sensing ; Environmental science ; Vegetation Index ; Computer science ; Cartography ; Geology ; Geography ; Normalized Difference Vegetation Index ; Mathematics ; Engineering ; Climate change Spectroscopy and Chemometric Analyses
Authors: Muhammad Nur Cahyo Hidayat Nasrullah | Muh Nurkoyim Kustanto | Mahros Darsin | Nasrul Ilminnafik | Skriptyan Noor Hidayatullah Syuhri
Source: Proceeding of International Conference on Artificial Intelligence Navigation Engineering and Aviation Technology (ICANEAT) (review, 2024-01-15)
Field: Materials Science — Materials Chemistry

Advancements and Challenges in the Search for Lead-Free Aviation Fuel: A Review The quest for lead-free aviation fuel has spurred advances in technology and environmental sustainability. This article presents a concise overview of aviation fuel evolution, primarily focusing on the search for alternatives to traditional-led Aviation Gasoline (AVGAS). Since the inaugural flight by the Wright brothers in 1903, avgas became integral to piston-engine aircraft, albeit with environmental concerns due to its lead content. Consequently, extensive research has pursued cleaner fuel options to mitigate lead emissions' environmental and health hazards. Numerous studies have explored potential substitutes for avgas, including mogas, alcohol-based additives, and fuel blends, aiming to maintain aircraft performance while reducing or eliminating lead content. Recent investigations have assessed the effects of different fuel processes on aircraft performance and emissions. High-octane mogas (RON 98) has emerged as a promising alternative to replace leaded avgas, showcasing its potential as a viable solution. Despite progress, further research is essential. Pursuing cleaner aviation fuel requires balancing performance optimization and environmental sustainability. Continued exploration and experimentation are crucial to identifying optimal solutions meeting aviation standards while ensuring a safer, greener future for air travel Lead (geology) ; Aviation ; Aeronautics ; Engineering ; Aerospace engineering ; Geology Catalytic Processes in Materials Science ; Nuclear reactor physics and engineering ; Rocket and propulsion systems research
Authors: Tong Liu | Yixuan Wang | Chunping Wang | Qi Zhang | Le Wang | Yuhan Li | Lanlan Xu | Xinyan Jin | Xianzhong Yin | Zhan Zhang | Chong Luo | Lili Fu | Yangbing Wen | Bin Li
Source: Frontiers in Chemistry (article, 2024-11-20)
Field: Materials Science — Polymers and Plastics

Effect of plant fibers on the physical properties of slurry-processed reconstituted tobacco The primary function of plant fibers in reconstituted tobacco is to enhance the physical strength, and it can quite modify their physical properties. This study demonstrated the effect of various plant fibers and their beating degrees on the physical properties of reconstituted tobacco. Tensile index, burst index, uniformity, tensile stiffness orientation, and thermal conductivity coefficient were examined. The result revealed that the mechanical properties of reconstituted tobacco varied according to the type and beating degree of the fibers. The mechanical properties of softwood, cotton, and bast fibers showed an initial increase followed by a decrease with increasing beating degree, while bamboo fiber showed a continuous improvement in mechanical properties proportional to the beating degree. Conversely, hardwood fiber displayed an inverse relationship with its beating degree. Under identical beating conditions, reconstituted tobacco containing softwood fibers showed the greatest improvement in tensile properties, achieving the highest tensile strength, thermal conductivity, and specific heat capacity. In particular, when softwood fibers were beaten to 50 °SR, the physical properties of the reconstituted tobacco peaked, with longitudinal and transverse tensile indices improving by 42.48% and 12.11%, respectively. Additionally, the bursting resistance index increased by 61.93%, and the thermal conductivity coefficient increased by 5.94%. Ultimate tensile strength ; Composite material ; Materials science ; Softwood ; Fiber ; Bast fibre ; Thermal conductivity Natural Fiber Reinforced Composites ; Advanced Cellulose Research Studies ; Fiber-reinforced polymer composites