jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marietheres Kleuter | Yafei Yu | Lukas Verdegaal | Francesco Pancaldi | Antoine H. P. America | Atze Jan van der Goot | Luisa M. Trindade
Source: Food Chemistry X (article, 2024-12-21)
Field: Chemistry — Spectroscopy

Characterizing the extractable proteins from tomato leaves – A proteomics study The ambition to utilize agricultural by-products has spotlighted tomato leaves as a promising source for plant-based proteins. High-yielding protein extractability is key for its industrial use, but previous studies reported decreased protein extractability at later stages of plant development. This study investigated the underlying factors in protein extractability through a comprehensive proteomics analysis across four plant developmental stages (vegetative, flowering, fruit-forming, mature-fruit). The findings linked reduced yields to a shift in leaf function, from anabolic to catabolic processes and (a)biotic stress responses. This functional shift is accompanied by decreased protein synthesis and increased protein degradation, leading to an overall decrease of the soluble protein fraction. Furthermore, incomplete extraction of soluble proteins from leaves of later developmental stages, suggested the presence of inhibitory molecules hindering the extraction process. These findings indicate that breeding strategies towards increased amounts of soluble proteins and reduced concentration of inhibitory molecules could enhance protein extraction yields. Proteomics ; Computational biology ; Biology ; Genetics ; Gene Advanced Proteomics Techniques and Applications ; Protein Hydrolysis and Bioactive Peptides ; Transgenic Plants and Applications
Authors: Amit Kahana | Alasdair Macleod | S. Hessam M. Mehr | Abhishek Sharma | Emma Carrick | Michael Jirásek | Sara Imari Walker | Leroy Cronin
Source: arXiv (Cornell University) (preprint, 2024-08-17)
Field: Chemistry — Physical and Theoretical Chemistry

Constructing the Molecular Tree of Life using Assembly Theory and Mass Spectrometry Here we demonstrate the first biochemistry-agnostic approach to map evolutionary relationships at the molecular scale, allowing the construction of phylogenetic models using mass spectrometry (MS) and Assembly Theory (AT) without elucidating molecular identities. AT allows us to estimate the complexity of molecules by deducing the amount of shared information stored within them when . By examining 74 samples from a diverse range of biotic and abiotic sources, we used tandem MS data to detect 24102 analytes (9262 unique) and 59518 molecular fragments (6755 unique). Using this MS dataset, together with AT, we were able to infer the joint assembly spaces (JAS) of samples from molecular analytes. We show how JAS allows agnostic annotation of samples without fingerprinting exact analyte identities, facilitating accurate determination of their biogenicity and taxonomical grouping. Furthermore, we developed an AT-based framework to construct a biochemistry-agnostic phylogenetic tree which is consistent with genome-based models and outperforms other similarity-based algorithms. Finally, we were able to use AT to track colony lineages of a single bacterial species based on phenotypic variation in their molecular composition with high accuracy, which would be challenging to track with genomic data. Our results demonstrate how AT can expand causal molecular inference to non-sequence information without requiring exact molecular identities, thereby opening the possibility to study previously inaccessible biological domains. Mass spectrometry ; Tree of life (biology) ; Tree (set theory) ; Chemistry ; Computer science ; Computational biology ; Chromatography ; Mathematics ; Biology ; Biochemistry ; Combinatorics ; Phylogenetic tree History and advancements in chemistry
Authors: Julián M. Londoño | Evgeniya Kovalska | Monica F. Craciun | Maria Rosaria Marsico
Source: Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2024-09-09)
Field: Materials Science — Materials Chemistry

Graphene nanoplatelets on recycled rubber: an experimental study of material properties and mechanical improvements This study presents an experimental investigation of the mechanical behaviour of recycled rubber pads coated with graphene nanoplatelets. The investigation is part of an effort to develop a novel rubber-based composite that aims to reroute rubber from end-of-life tyres from illegal landfills and incineration back into the market in the form of a novel composite for vibration isolation. Graphene nanoplatelets were deposited on rubber pads via ultrasonic spray coating. The pads were made of a combination of recycled rubber (from tyres) and virgin rubber. A comprehensive analysis of the structural and chemical properties of the graphene coating, ensuring its integrity on the rubber substrate, was performed by combining surface topography, Raman and Fourier-transform infrared (FTIR) spectroscopy. Stacked coated pads were cured and tested dynamically in compression and shear under cyclic loading. Results showed promising improvements in the mechanical properties, in particular, in compressive stiffness and damping of the coated specimens with respect to their uncoated counterparts, laying the foundation for using graphene-enhanced recycled rubber as a novel composite.This article is part of the theme issue 'Celebrating the 15th anniversary of the Royal Society Newton International Fellowship'. Materials science ; Composite material ; Natural rubber ; Exfoliated graphite nano-platelets ; Polymer science ; Nanocomposite Graphene research and applications ; Polymer Nanocomposite Synthesis and Irradiation ; Graphene and Nanomaterials Applications
Authors: Yong Xiong | Jie Tian | Yong Cheng | Qingwu Zhao
Source: ACS Omega (article, 2024-07-10)
Field: Materials Science — Materials Chemistry

Investigation on the Regulation of the Combustion Characteristics of a Propane/Air Mixture by Repetitive nSDBD Pretreatment This paper investigates the effect of the transient repetitive nanosecond surface dielectric barrier discharge (nSDBD) pretreatment on the combustion characteristics of combustible mixtures. A method of using nSDBD online pretreatment of a combustible mixture to regulate the combustion characteristics of the mixture is proposed. The study is conducted in a constant-volume combustion chamber at atmospheric pressure and temperature using a propane/air mixture as fuel. The discharge characteristics of repetitive nSDBD and the effects of pretreatment discharge energy and interval time between the pretreatment and ignition on combustion rate are discussed. The results show that (1) For 12.5 kHz pulses, the filament length generated with the annular dielectric barrier electrode discharge can reach up to 7 mm, and the number of discharge filaments per pulse can reach 40. (2) Pretreating mixtures using repetitive nSDBD at millisecond time scale can significantly improve the combustion process. (3) Repetitive nSDBD pretreatment can enhance the activity of the mixture near the surface of nSDBD electrode, which leads to obvious wrinkles on the flame surface and significantly improves the combustion rate. (4) The flame rise time decreases with the increase of discharge energy and increases with the increase of the interval time between the pretreatment and ignition. The effect of the repetitive nSDBD pretreatment on flame propagation during the flame development period becomes more pronounced with the increase of the excess air coefficient. The research results of the paper reveal the law of online regulation of combustion characteristics of combustible mixtures by the nSDBD, providing experimental data support for the mechanism research of online regulation of combustion characteristics of combustible mixtures by the nSDBD. Propane ; Combustion ; Chemistry ; Environmental science ; Waste management ; Engineering ; Organic chemistry Catalytic Processes in Materials Science ; Combustion and flame dynamics ; Combustion and Detonation Processes
Authors: Heeseung Han | Ji Hoon Choi | Je Hwa Yoo | Jin-Hyuk Jeong | Sang-Beom Na | Ji–Hyun Kang | Dong‐Wook Kim | Chun‐Woong Park
Source: Pharmaceutics (article, 2024-10-26)
Field: Chemistry — Organic Chemistry

NIR-Guided Coating Optimization of Omega-3 Fatty Acid Mini Soft Capsules with Pitavastatin and Ezetimibe This approach offers an efficient solution for enhancing patient adherence in cardiovascular disease management. The application of NIR spectroscopy for real-time monitoring highlights its broader significance in pharmaceutical manufacturing, where it can serve as a versatile tool for ensuring product quality and optimizing production efficiency in diverse formulation processes. By incorporating NIR-based PAT, manufacturers can not only achieve product-specific improvements but also establish a foundation for continuous manufacturing and automated quality assurance systems, ultimately contributing to a more streamlined and robust production environment. Ezetimibe ; Pitavastatin ; Omega ; Coating ; Chemistry ; Statin ; Biochemistry ; Physics ; Organic chemistry Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization ; Inflammatory mediators and NSAID effects
Authors: DAL-HWAN YOON | HOON-MIN PARK | HYUN-MIN JUNG | DAE-HEE LEE | TAE-YEUNG LIM | Dong‐Hwan Jeon
Source: Preprints.org (preprint, 2024-01-05)
Field: Materials Science — Materials Chemistry

Implementation of Regenerative Thermal Oxidation Device Based on High Heating Device for Low-Emission Combustion In this paper, a 100CMM regenerative thermal oxidizer (RTO) system based on a high heating device for low-emission combustion is implemented at a volatile organic compound (VOCs) gas generation workplace. Existing RTO has a structure that repeats the inflow and discharge of VOCs gas into a cylindrical drum-type rotating disk and has excellent energy efficiency with a heat recovery rate of 95% or more. However, when used for a long time, there is a problem that rotation stops or explodes due to the discharge of pollutants due to dust and thermal expansion due to high temperature of 800℃. To overcome this, a RTO based on a high heating device was developed to reduce low-emission combustion emissions and energy use. Through 177 hours of demonstration time, the oxidation efficiency of VOCs was 97.87%; the waste heat recovery rate was reduced by 95.78%, the fuel consumption was reduced by 21.95%, and the nitrogen oxide concentration was 3.9 ppm Combustion ; Pollutant ; Materials science ; Thermal ; Waste management ; Environmental science ; Thermal efficiency ; Thermal energy ; Nuclear engineering ; Chemistry ; Engineering Catalytic Processes in Materials Science ; Engineering Applied Research
Authors: Steffen Schmitt | Nina Gaiser | Hao Zhang | Alessandro Stagni | J. Bachmann | Patrick Oßwald | Katharina Kohse‐Höinghaus | Markus Köhler
Source: Proceedings of the Combustion Institute (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Combining mass spectrometry, i2PEPICO, and FTIR spectroscopy: Comprehensive speciation in DMM/NO oxidation Mass spectrometry ; Fourier transform infrared spectroscopy ; Genetic algorithm ; Analytical Chemistry (journal) ; Spectroscopy ; Chemistry ; Materials science ; Environmental chemistry ; Chromatography ; Physics ; Optics Catalytic Processes in Materials Science ; Mass Spectrometry Techniques and Applications ; Advanced Combustion Engine Technologies
Authors: R.Z. Pen | I.L. Shapiro | K.H. Gizatulin
Source:  (article, 2024-12-12)
Field: Materials Science — Biomaterials

PEROXIDE CELLULOSE FROM HEMP The results of the analysis of the development of e-commerce in the Socialist Republic of Vietnam are presented.The features of the development of e-commerce in the Republic, including the features of demography and user dynamics; the main channels of e-commerce and preferred methods of payment for online purchases are revealed.The features of the transition of Vietnamese business to the organization of e-commerce are shown.The prospects are studied and the main trends in the development of e-commerce in Vietnam are formulated. Cellulose ; Peroxide ; Pulp and paper industry ; Chemistry ; Organic chemistry ; Engineering Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments
Authors: Pavel Pegin | A.V. Pavlovets
Source: E3S Web of Conferences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

RETRACTED: Analysis of the adhesion strength of the A550 reinforcement to concrete B25, B30 and B40 See the retraction notice E3S Web of Conferences 549 , 00001 (2024), https://doi.org/10.1051/e3sconf/202454900001 Reinforcement ; Rod ; Materials science ; Bearing capacity ; Structural engineering ; Composite material ; Anchoring ; Engineering Structural mechanics and materials ; Structural Behavior of Reinforced Concrete ; Advanced Energy Technologies and Civil Engineering Innovations
Authors: Mostafa Saif‐Elnasr | Esraa M. Samy | Assmaa Fathi Abdel‐Khalek
Source: Cell Biochemistry and Function (article, 2024-07-01)
Field: Materials Science — Materials Chemistry

Cerium oxide nanoparticles display antioxidant and antiapoptotic effects on gamma irradiation‐induced hepatotoxicity Throughout radiotherapy, radiation of the hepatic tissue leads to damage of the hepatocytes. We designed the current study to examine how cerium oxide nanoparticles (CONPs) modulate gamma irradiation-induced hepatotoxicity in rats. Animals received CONPs (15 mg/kg body weight [BW], ip) single daily dose for 14 days, and they were exposed on the seventh day to a single dose of gamma radiation (6 Gy). Results showed that irradiation increased serum aspartate aminotransferase, alanine aminotransferase, and alkaline phosphatase activities. Furthermore, it elevated oxidative stress biomarker; malondialdehyde (MDA) and inhibited the activities of antioxidant enzymes (superoxide dismutase and glutathione peroxidase) in hepatic tissues homogenate. Additionally, hepatic apoptotic markers; caspase-3 (Casp-3) and Casp-9 were elevated and the B-cell lymphoma-2 (Bcl-2) gene level was decreased in rats exposed to radiation dose. We observed that CONPs can modulate these changes, where CONPs reduced liver enzyme activities, MDA, and apoptotic markers levels, in addition, it elevated antioxidant enzyme activities and Bcl-2 gene levels, as well as improved histopathological changes in the irradiated animals. So our results concluded that CONPs had the ability to act as radioprotector defense against hepatotoxicity resulted during radiotherapy. Malondialdehyde ; Superoxide dismutase ; Antioxidant ; Alkaline phosphatase ; Chemistry ; Oxidative stress ; Glutathione peroxidase ; Glutathione ; Pharmacology ; Biochemistry ; Enzyme ; Medicine Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications ; Sulfur Compounds in Biology
Authors: Liudmyla Halka | Tetyana Kucher | Liubomyr Kryskiw | Marjan Piponski | Mariana Horyn | Olha Poliak | Nadiya Zarivna | Liliya Logoyda
Source: ScienceRise Pharmaceutical Science (article, 2024-08-30)
Field: Chemistry — Analytical Chemistry

Full green assay of rosuvastatin utilizing sulphophtalein dyes: application to tablet analysis The aim of the work was to develop a «green» and extraction-free spectrophotometric procedure for the assay of rosuvastatin in tablets. The present work describes three new spectrophotometric procedures (A, B and C) that can be utilized for routine quality control of rosuvastatin in laboratories. Materials and methods. Analytical instrumentation: Shimadzu UV-1800 double beam UV-vis spectrophotometer (Japan) with attached UV-Probe ver. 2.62 software, RAD WAG AS 200/C precise analytical balance (Poland). Rosuvastatin calcium (purity ≥98 % (HPLC)) was bought from Sigma-Aldrich Chemicals Co. (St. Louis, MO, USA). Rosuvastatin 10 mg tablets were acquired from a nearby drugstore. All solvents used in this study, including methanol, ethanol, chloroform, acetonitrile and ethyl acetate, were produced by Honeywell and had a purity of 99.9 %. BCG, BCP and BTB were acquired from Sigma-Aldrich Chemicals Co. (USA, St. Louis). All chemicals utilized in the experiment were of analytical purity. Results and discussion. New simple «green» and extraction-free spectrophotometric procedures for assay of rosuvastatin in tablets involve the formation of ion-pair complexes with sulphophtalein dyes (BCG (Method A), BCP (Method B), BTB (Method C)) have been developed. The absorbances of the coloured reaction products were registered at 405 nm (Method A) and 400 nm (Methods B, C). The concentration was linearly proportional to absorbance values in the range of 2.51-20.08 μg/mL (method A), 2.50-24.90 μg/mL (method B) and 2.51-12.56 μg/mL (method C). Estimation of LOD and LOQ parameters were obtained as 0.67 μg/mL and 2.23 μg/mL (Method A), 0.39 μg/mL and 1.32 μg/mL (Method B), 0.30 μg/mL and 1.01 μg/mL (Method C). The stoichiometric ratio of the reactive components of rosuvastatin - BCG, BCP, and BTB corresponded 1: 1. The %RSD values of intra-day and inter-day were obtained less than &lt; 1.5 %, which showed excellent repeatability and RE % data was ≤ 3 %. The effect on the environment of the proposed spectrophotometric procedures and their compliance with the GAC principles were endorsed by the output of AGREE, GAPI, and AES metrics tools. The values of these three «green» metrics show that the proposed spectrophotometric procedures had a low environmental impact compared with the reported ones. Conclusions. The developed fast, simple and cost-effective methods A, B, and C can be used for routine analysis of rosuvastatin in tablets Rosuvastatin ; Chemistry ; Chromatography ; Computer science ; Pharmacology ; Medicine Analytical Methods in Pharmaceuticals
Authors: Ahmet Teber
Source: Türk doğa ve fen dergisi :/Türk doğa ve fen dergisi (article, 2024-06-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Refractive Index Sensor Based on Terahertz Metamaterial Absorber with High Sensitivity and Quality Factor for Sensing Applications This research describes and assesses a terahertz metamaterial absorber (TMA) with a simple and easy-to-produce structure consisting of gold-silicon (optical)-gold design as a refractive index sensing. Due to the high field limitation in the detection regime, electromagnetic (EM) wave’s absorption reaches 99.40% at a frequency of 3.719 THz, including a significant quality factor (Q-Factor) of 65.77 and a figure of merit, FoM, of 21.49. The TMA has an remarkable sensitivity of 1.215 THz/RIU and can be used as a refractive index sensor (RIS). The proposed metamaterial absorber-based sensor is susceptible to refractive index changes (1.00 to 1.05) in the surrounding medium. For the physical absorption mechanism, the fundamental absorption peak is mainly due to the simultaneous occurrence of electric and magnetic dipole resonances. The proposed absorber has the feature of being an excellent RIS due to its sensing and detection applications. Terahertz radiation ; Refractive index ; Metamaterial absorber ; Metamaterial ; Materials science ; Figure of merit ; Absorption (acoustics) ; Optics ; Sensitivity (control systems) ; Optoelectronics ; Tunable metamaterials ; Physics ; Electronic engineering Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: Kalev Kuklane | Anna Dąbrowska
Source: Applied Sciences (article, 2024-09-09)
Field: Materials Science — Polymers and Plastics

Advances in Protective Clothing Research Meeting the Challenges in the Changing World The world keeps changing, and the changes are becoming quicker with technological development [...] Clothing ; Business ; Engineering ethics ; Engineering ; Political science Textile materials and evaluations ; Infection Control and Ventilation ; Thermoregulation and physiological responses
Authors: Lukas Einkemmer | Katharina Kormann | Jonas Kusch | Ryan G. McClarren | Jing‐Mei Qiu
Source: arXiv (Cornell University) (review, 2024-12-08)
Field: Chemistry — Spectroscopy

A review of low-rank methods for time-dependent kinetic simulations Time-dependent kinetic models are ubiquitous in computational science and engineering. The underlying integro-differential equations in these models are high-dimensional, comprised of a six--dimensional phase space, making simulations of such phenomena extremely expensive. In this article we demonstrate that in many situations, the solution to kinetics problems lives on a low dimensional manifold that can be described by a low-rank matrix or tensor approximation. We then review the recent development of so-called low-rank methods that evolve the solution on this manifold. The two classes of methods we review are the dynamical low-rank (DLR) method, which derives differential equations for the low-rank factors, and a Step-and-Truncate (SAT) approach, which projects the solution onto the low-rank representation after each time step. Thorough discussions of time integrators, tensor decompositions, and method properties such as structure preservation and computational efficiency are included. We further show examples of low-rank methods as applied to particle transport and plasma dynamics. Rank (graph theory) ; Kinetic energy ; Statistical physics ; Mathematics ; Econometrics ; Computer science ; Physics ; Combinatorics ; Classical mechanics Advanced NMR Techniques and Applications ; Advanced MRI Techniques and Applications ; Spectroscopy and Quantum Chemical Studies
Authors: Andrea Stramare
Source: Materials research proceedings (article, 2024-04-19)
Field: Materials Science — Materials Chemistry

Fatigue strength of Ti6Al4V titanium alloy machined under flood and cryogenic conditions Abstract. Ti6Al4V titanium alloy wrought round bars characterized by a fine equiaxed microstructure were machined using two different lubrication strategies, namely traditional water-based cutting fluid and liquid nitrogen. Surface integrity after machining was assessed in terms of (i) sub-surface severe plastic deformation layer, (ii) surface topography, and (iii) residual axial stresses as a function of the distance from the machined surface. Finally, the machined specimens were subjected to fatigue tests on a four-point rotating bending machine. For the two sets of specimens, the Wöhler curves were derived to determine their fatigue strength using the modified staircase method. No remarkable difference in terms of surface topography was found between the flood and cryogenic machined specimens, but the latter were characterized by higher and deeper compressive residual stresses and higher severe plastic deformation layer beneath the machined surface. Despite that, it is shown that the fatigue limit of the flood and cryogenic machined specimens is very similar, as well as crack initiation sites have the same location. An explanation of that can be found in the very fine microstructure of the as-received material, which prevails over the other characteristics induced by any machining strategy. Titanium alloy ; Materials science ; Alloy ; Titanium ; Metallurgy ; Cryogenics ; Physics ; Thermodynamics Material Properties and Failure Mechanisms ; Engineering Diagnostics and Reliability ; High-Velocity Impact and Material Behavior