jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Francesco Caravelli | Yen Ting Lin
Source: arXiv (Cornell University) (preprint, 2023-08-25)
Field: Chemistry — Spectroscopy

On the combinatorics of Lotka-Volterra equations We study an approach to obtaining the exact formal solution of the 2-species Lotka-Volterra equation based on combinatorics and generating functions. By employing a combination of Carleman linearization and Mori-Zwanzig reduction techniques, we transform the nonlinear equations into a linear system, allowing for the derivation of a formal solution. The Mori-Zwanzig reduction reduces to an expansion which we show can be interpreted as a directed and weighted lattice path walk, which we use to obtain a representation of the system dynamics as walks of fixed length. The exact solution is then shown to be dependent on the generator of weighted walks. We show that the generator can be obtained by the solution of PDE which in turn is equivalent to a particular Koopman evolution of nonlinear observables. Linearization ; Mathematics ; Observable ; Lattice (music) ; Nonlinear system ; Generator (circuit theory) ; Representation (politics) ; Path (computing) ; Reduction (mathematics) ; Applied mathematics ; Pure mathematics ; Physics ; Computer science ; Quantum mechanics Molecular spectroscopy and chirality
Authors: Borisova V.V. | A. M.
Source: RUSSIAN ELECTRONIC SCIENTIFIC JOURNAL (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

TECHNOLOGY AND QUALITY INDICATORS OF CONDENSED DAIRY PRODUCTS WITH FILLERS The article presents research findings on the study of the technology, physicochemical, and technological properties of condensed milk with sugar and additives—cocoa and coffee. In the production of condensed products, both with and without fillers, there are differences in technology and physicochemical indicators of the product. Knowledge of these nuances helps develop quality products for public consumption and expands the product range of enterprises. The lowest moisture content is found in condensed milk with sugar: 1% lower than in condensed milk with cocoa and 2.5% lower than with coffee filler. Condensed milk with coffee has the least amount of dry matter. The fat content in condensed milk with sugar is 1.5% higher than in condensed milk with fillers. Quality (philosophy) ; Environmental science ; Business ; Pulp and paper industry ; Process engineering ; Engineering ; Physics Dye analysis and toxicity
Authors: Tukhvatullin M.I.
Source: RUSSIAN ELECTRONIC SCIENTIFIC JOURNAL (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

THE RESULTS OF EXPERIMENTAL STUDIES OF MICROWAVE PROCESSING OF BIOLOGICAL SUBSTRATES IN A HYBRID MICROWAVE ELECTROTECHNOLOGICAL INSTALLATION The creation of a hybrid microwave electrotechnological installation for microwave processing of biological substrates will significantly increase both the economic and energy efficiency of the installation, due to simultaneous thermal and non-thermal processing of materials. In a microwave electrotechnological installation, it is possible to process two or more types of products with improved qualities, as a result of which it is possible to significantly increase profits at the same energy costs. The paper presents a hybrid microwave electrotechnological installation in which it is possible to carry out microwave processing of organic materials of plant origin, as well as agricultural crops. A general view of a hybrid microwave electrotechnological installation and its mathematical model are presented. The results of experimental studies of the modes of microwave processing of organic materials of plant origin in a microwave electrotechnological installation are presented. As a result of microwave processing of organic materials of plant origin, as well as agricultural crops in a hybrid microwave electrotechnological installation, their processing time is significantly reduced, while ensuring the required quality of the dried material. Microwave ; Materials science ; Computer science ; Telecommunications Microwave-Assisted Synthesis and Applications
Authors: Tukhvatullin M.I.
Source: RUSSIAN ELECTRONIC SCIENTIFIC JOURNAL (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

TECHNICAL AND ECONOMIC OPTIMIZATION OF HYBRID MICROWAVE ELECTROTECHNOLOGICAL INSTALLATION FOR PROCESSING BIOLOGICAL SUBSTRATES AND PLANT RAW MATERIALS The article presents an algorithm for designing a hybrid microwave electrotechnological installation for processing biological substrates and plant material. The feasibility of designing a hybrid microwave electrotechnological installation is considered based on comparative economic effects. A technical and economic optimization of the structure and parameters of a hybrid microwave electrotechnological installation for non-thermal processing of biological substrates and thermal processing of plant material was carried out. The study is carried out within the framework of a grant in the form of subsidies in the field of science from the budget of the Republic of Bashkortostan for state support of young scientists - candidates of science (competition code - REC-GMU2022). Raw material ; Microwave ; Process engineering ; Microwave heating ; Engineering ; Biochemical engineering ; Waste management ; Environmental science ; Computer science ; Telecommunications ; Biology ; Ecology Microwave-Assisted Synthesis and Applications
Authors: Aušra Gadeikytė | Aušra Abraitienė | Rimantas Barauskas
Source: Mathematics (article, 2023-05-31)
Field: Materials Science — Polymers and Plastics

Application of Combined Micro- and Macro-Scale Models to Investigate Heat and Mass Transfer through Textile Structures with Additional Ventilation In this study, computational models of heat and mass exchange through textile structures with additional ventilation at the micro- and macro-scale were investigated. The finite element analysis of advanced textile materials provides a better understanding of their heat and mass transfer properties, which influence thermal comfort. The developed computational models can predict air permeability (AP), thermal resistance (Rct), and heat transfer (h) coefficients at the micro-scale. Moreover, the mesh size was taken into consideration and validated with experimental data presented in the literature. In addition, computational models were extended to micro- and macro-scale forced ventilation models. Macro-scale finite element models require input parameters such as an effective heat transfer coefficient that are usually obtained experimentally. In this research, the heat transfer coefficients (hmicrolayer = 25.603 W/(K·m2), htotal = 8.9646 W/(K·m2)) were obtained numerically from the micro-scale model and were applied to a macro-scale model. The proposed methodology and developed models facilitate the determination of average temperature and temperature distributions through different through-thickness positions along the axis Oz. The simulations were carried out using Comsol Multiphysics and Matlab software. Multiphysics ; Heat transfer ; Finite element method ; Mass transfer ; Macro ; Heat transfer coefficient ; Materials science ; Mechanical engineering ; Mechanics ; Scale (ratio) ; Heat exchanger ; Computational fluid dynamics ; Scale model ; Thermal ; Computer science ; Thermodynamics ; Structural engineering ; Engineering ; Physics ; Aerospace engineering Textile materials and evaluations ; Infection Control and Ventilation ; Building Energy and Comfort Optimization
Authors: M. Kastek | Andrzej Ligienza | Tomasz Sosnowski | Mateusz Rataj | Jadwiga Holewa-Rataj | Anna Timofiejczuk | Sebastian Rzydzik
Source: Pomiary Automatyka Robotyka (article, 2023-09-16)
Field: Chemistry — Spectroscopy

Remote Detection and Quantification of Methane Emissions Based on Hyperspectral Data Analysis Measurement of methane emissions from leaks occurring on the territorially extensive network of transmission gas grid is a topical issue and highly desirable from the point of view of safety and reducing methane emissions into the atmosphere. Remote detection of methane is a problem whose technical solution is based on several types of optoelectronic devices, e.g. thermal imaging cameras with sets of optical filters, spectroradiometers, laser systems of the DIAL (DIfferential Absorption Lidar) type. On the other hand, the quantification of emission magnitudes is in most cases realized by spectoradiometric systems. This paper will present a method for analyzing hyperspectral data from an imaging Fourier infrared spectroradiometer. Measurements will be made on a purpose-built bench simulating methane emissions from a transmission network. Data obtained from ground level under different atmospheric conditions will be presented, together with the results of their analysis for different methane emissions. Hyperspectral imaging ; Methane ; Spectroradiometer ; Remote sensing ; Environmental science ; Atmospheric methane ; Dial ; Transmission (telecommunications) ; Computer science ; Optics ; Engineering ; Telecommunications ; Reflectivity ; Geology ; Chemistry ; Physics Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Laser Design and Applications
Authors: Damien de Mijolla | Jonathan Holdship | S. Viti | Johannes Heyl
Source: arXiv (Cornell University) (preprint, 2023-12-19)
Field: Chemistry — Spectroscopy

Disentangling Multiple Emitting Components in Molecular Observations with Non-negative Matrix Factorization Molecular emission from the galactic and extragalactic interstellar medium (ISM) is often used to determine the physical conditions of the dense gas. However, even from spatially resolved regions, the observed molecules are not necessarily arising from a single component. Disentangling multiple gas components is often a degenerate problem in radiative transfer studies. In this paper we investigate the use of the non-negative matrix factorization (NMF) approach as a means to recover gas components from a set of blended line intensity maps of molecular transitions which may trace different physical conditions. We run a series of experiments on synthetic datasets designed to replicate conditions in two very different environments: galactic pre-stellar cores and the ISM in high redshift galaxies. We find that the NMF algorithm often recovers the multiple components resembling those used in the data-generating process, provided that the different components have similar column densities. When NMF fails to recover all the individual components it does however group together the most similarly emitting ones. We further found that initialisation and regularisation are key factors in the efficiency of the NMF algorithm. Non-negative matrix factorization ; Physics ; Matrix decomposition ; Astrophysics ; Galaxy ; Radiative transfer ; Redshift ; Component (thermodynamics) ; Matrix (chemical analysis) ; Degenerate energy levels ; Replicate ; Statistical physics ; Mathematics ; Materials science ; Optics ; Quantum mechanics ; Statistics Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Optical Imaging and Spectroscopy Techniques
Authors: Sivakumar Sekharan | X. Liu | Zhimou Yang | L. Deng | Shuangchen Ruan | Greg Sun | Shuli Li | Tian‐You Zhou | Bowen Shi | Qun Zeng | Chao Chang | Y. Jin | Xiaochao Shi
Source: Acta Crystallographica Section A Foundations and Advances (article, 2023-08-22)
Field: Materials Science — Materials Chemistry

Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction Diffraction ; Materials science ; Electron diffraction ; Electron ; Crystal (programming language) ; Crystallography ; Crystal structure ; Physics ; Optics ; Computer science ; Chemistry ; Quantum mechanics Crystallization and Solubility Studies ; Crystallography and molecular interactions ; X-ray Diffraction in Crystallography
Authors: Zhao Wu | Bernd Markert | Franz Bamer
Source: PAMM (article, 2023-11-21)
Field: Materials Science — Ceramics and Composites

Detecting local spots in network materials prone to mechanical failure Abstract The prediction of the onset of fracture is a challenging issue in the mechanics of disordered materials. In this contribution, we show that the fracture process in network glasses, such as silica glass, turns out to be a complex phenomenon that originates from specific spots that have the size of a few hundred atoms only. We apply pure shear deformation to identify local rearrangement spots prone to material damage. These spots are analyzed using stress drop steps, originally used for densely packed disordered systems. Spots ; Shear (geology) ; Fracture (geology) ; Materials science ; Drop (telecommunication) ; Deformation (meteorology) ; Composite material ; Chemistry ; Engineering ; Mechanical engineering Glass properties and applications ; Material Dynamics and Properties ; Theoretical and Computational Physics
Authors: Mikita Marus | Yauhen Mukha | Him-Ting Wong | Tak-Lam Chan | A. Smirnov | Aliaksandr Hubarevich | Haibo Hu
Source:  (preprint, 2023-05-25)
Field: Materials Science — Materials Chemistry

Tsuchime-like cost-efficient aluminum film to enhance absorption in thin and ultra-thin photovoltaic cells Silicon solar cells account for more than ninety percent of the photovoltaic (PV) market, primarily due to convenience, cost-effectiveness, and long service life. However, the light absorption efficiency of PV cells remains a limiting factor, especially for thin and ultra-thin solar panels. Most methods for increasing light absorption in thin and ultra-thin solar cells are either cost-ineffective or technically challenging, given the thinness of the functional layers employed. In this article, we propose employing a lithography-free and cost-efficient approach to increase the light absorption in thin and ultra-thin solar cells using a Tsuchime-like self-forming nanocrater (T-NC) aluminum (Al) film. T-NC Al film can be obtained by the well-known process of electrochemical anodizing of Al followed by etching the nanoporous alumina (Al2O3). According to the current study, T-NC film boosts the average absorbance in the 400-1100 nm wavelength range by 85.9, 64.3, 46.3 and 41.8% for PV cells with silicon active layer thickness of 500 nm, 1 µm, 3 µm, and 10 µm, respectively. Moreover, the wavelength range of increased absorption depends on silicon thickness, where the peak of absolute increase of absorbance moves from 620 nm to 950 nm as the thickness of the silicon layer increases from 500 nm to 10 µm. Therefore, T-NC Al film allows for a significant increase in the efficiency of thin and ultra-thin solar cells without involving costly top-down techniques such as lithography. Materials science ; Thin film ; Optoelectronics ; Absorbance ; Photovoltaic system ; Silicon ; Absorption (acoustics) ; Solar cell ; Nanoporous ; Layer (electronics) ; Nanotechnology ; Optics ; Composite material ; Electrical engineering Anodic Oxide Films and Nanostructures ; Silicon Nanostructures and Photoluminescence ; Nanowire Synthesis and Applications
Authors: Sergii Nazarenko | Roman Kovalenko | Andrii Kalynovskyi | Андрій Побідаш | Volodymyr Nazarenko | Yevheniia Kravchenko | Оlga Shoman | Volodymyr Danylenko | Olena Sydorenko
Source: Eastern-European Journal of Enterprise Technologies (article, 2023-12-14)
Field: Materials Science — Materials Chemistry

Determining the influence of an artificial defect on the mechanical properties of a flexible pipeline material during a rupture test The object of research is the phenomenon of influence of hidden defects on the mechanical properties of the material of flexible pipelines. T-type pressure fire hoses with an inner diameter of 77 mm were used as test samples of flexible pipelines. During the operation of pressurized fire hydrants and their laying on vertical surfaces, they are subjected to significant bursting pressures in their longitudinal direction. That is, such operating modes of the sleeve may occur during its operation. The research was carried out on the FP 100/1 bursting machine, in which the test samples were fixed. The dependence of the stiffness and normal elasticity of the material of the flexible pipeline on the depth and length of the artificial defect when testing it for breaking has been established. With an artificial defect depth of 0.2 mm and its length from 0 to 40 mm, the stiffness of the flexible pipeline material decreases from 573.812 kN/m to 478.276 kN/m. With the indicated values of the defect, the normal elasticity ranged from 86.46 MPa to 64.567 MPa. When the depth of the defect increases by 0.4 mm, the stiffness of the sleeve material decreases to 432.902 kN/m, and the normal elasticity decreases to 58.442 MPa. The obtained results are explained by the fact that when the thickness of the threads of the base of the power frame is reduced by 33 %, the longitudinal stiffness and normal elasticity of the material of the flexible pipeline are reduced by 25 % and 26 %, respectively. The results of these studies are needed in practice because they can make it possible to develop new or improve existing methods of detecting hidden defects in the material from which flexible pipelines are made Stiffness ; Elasticity (physics) ; Materials science ; Pipeline transport ; Composite material ; Structural engineering ; Engineering ; Mechanical engineering Material Properties and Failure Mechanisms ; Engineering Diagnostics and Reliability ; Fire effects on concrete materials
Authors: Søren Heissel | Yi He | Andris Jankevics | Yuqi Shi | Henrik Molina | Rosa Viner | Richard A. Scheltema
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-11-22)
Field: Chemistry — Spectroscopy

Fast and accurate disulfide bridge detection Recombinant expression of proteins, propelled by therapeutic antibodies, has evolved into a multi-billion-dollar industry. Essential here is quality control assessment of critical attributes such as sequence fidelity, proper folding, and post-translational modifications (PTMs). Errors can lead to diminished bioactivity and, in the context of therapeutic proteins, an elevated risk for immunogenicity. Over the years, many techniques were developed and applied to validate proteins in a standardized and high-throughput fashion. One parameter has, however, so far been challenging to assess. Disulfide bridges, covalent bonds linking two Cysteine residues, assist in the correct folding and stability of proteins and thus have a major influence on their efficacy. Mass spectrometry promises to be an optimal technique to uncover them in a fast and accurate fashion. In this work, we present a unique combination of sample preparation, data acquisition and analysis facilitating the rapid and accurate assessment of disulfide bridges in purified proteins. Through microwave-assisted acid hydrolysis (MAAH), the proteins are digested rapidly and artifact-free into peptides, with a substantial degree of overlap over the sequence. The nonspecific nature of this procedure, however, introduces chemical background which is efficiently removed by integrating ion mobility preceding the mass spectrometric measurement. The nonspecific nature of the digestion step additionally necessitates new developments in data analysis, for which we extended the XlinkX node in Proteome Discoverer (XlinkX/PD) to efficiently process the data and ensure correctness through effective false discovery rate correction. The entire workflow can be completed within one hour, allowing for high-throughput, high-accuracy disulfide mapping. Computer science ; Context (archaeology) ; Disulfide bond ; Computational biology ; Proteome ; Correctness ; Folding (DSP implementation) ; Cysteine ; Chemistry ; Algorithm ; Biochemistry ; Biology ; Engineering ; Enzyme Advanced Proteomics Techniques and Applications ; Monoclonal and Polyclonal Antibodies Research ; Protein purification and stability
Authors: Mehmet Güldane | Hamza Bozkır
Source:  (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

Multi Response Optimization of Process Parameters in the Extraction of Bioactive Components from Dill: Taguchi-MOORA Methodology – The aim of this study was to obtain an extract rich in phenolic compounds with high antioxidant activity from dill (Anethum graveolens L.). To optimize the ultrasound-assisted extraction process, a Taguchi (L9) orthogonal matrix which consists of three levels and three factors including solute: solvent ratio (A; 1:100, 3:100 and 5:100), sonication temperature (B; 30, 45, 60 °C) and sonication time (C; 5, 10, 15 min) was used. In the single response optimization based on the Taguchi method, the optimum ultrasonic extraction parameters for total phenolic content and antioxidant activity (DPPH) were determined as A1B3C3 and A1B1C1, respectively. In this study, MOORA (Multi-Objective Optimization by Ratio Analysis) was utilized to convert a two-response problem into a single response. As a result of this optimization, the solute: solvent ratio, sonication temperature, and sonication time variables were determined as 1:100, 60 °C and 15 min, respectively (Run 3), for the extract with the highest total phenolic and antioxidant content (A1B3C3). According to the results obtained, the solute: solvent ratio was found to be the parameter that most significantly affected the ultrasonic extraction process for both response variables. The Taguchi-MOORA hybrid optimization technique was successfully applied to the ultrasonic extraction of bioactive components from dill. Taguchi methods ; Sonication ; Extraction (chemistry) ; Response surface methodology ; Orthogonal array ; DPPH ; Solvent ; Chromatography ; Chemistry ; Anethum graveolens ; Antioxidant ; Materials science ; Composite material ; Organic chemistry ; Traditional medicine ; Medicine Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Microbial Inactivation Methods
Authors: Qun Ren | Yuxin Lang | Yuqi Ja | Xia Xiao | Yu Liu | Xiang Zheng Kong | Ruiqi Jin | Yongqing He | Jian Wei You | Wei E. I. Sha | Yanwei Pang
Source: arXiv (Cornell University) (preprint, 2023-10-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A high-Q metasurface signal isolator for 1.5T surface coil magnetic resonance imaging on the go The combination of surface coils and metamaterials remarkably enhance magnetic resonance imaging (MRI) performance for significant local staging flexibility. However, due to the coupling in between, impeded signal-to-noise ratio (SNR) and low-contrast resolution, further hamper the future growth in clinical MRI. In this paper, we propose a high-Q metasurface decoupling isolator fueled by topological LC loops for 1.5T surface coil MRI system, increasing the magnetic field up to fivefold at 63.8 MHz. We have employed a polarization conversion mechanism to effectively eliminate the coupling between the MRI metamaterial and the radio frequency (RF) surface transmitter-receiver coils. Furthermore, a high-Q metasurface isolator was achieved by taking advantage of bound states in the continuum (BIC) for extremely high-field MRI and spectroscopy. An equivalent physical model of the miniaturized metasurface design was put forward through LC circuit analysis. This study opens up a promising route for the easy-to-use and portable surface coil MRI scanners. Metamaterial ; Electromagnetic coil ; Isolator ; Radio frequency ; Magnetic resonance imaging ; Materials science ; Electromagnetic shielding ; Magnetic field ; Decoupling (probability) ; Radiofrequency coil ; Nuclear magnetic resonance ; Optics ; Physics ; Optoelectronics ; Acoustics ; Electronic engineering ; Computer science ; Engineering ; Telecommunications Metamaterials and Metasurfaces Applications ; Energy Harvesting in Wireless Networks ; Advanced Memory and Neural Computing