jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Valerii Sokov | Leontii I. Korostylov | Oleksandr Shchedrolosiev | Hryhorii Sharun | Serhii Klymenkov
Source: Eastern-European Journal of Enterprise Technologies (article, 2023-10-31)
Field: Materials Science — General Materials Science

Devising procedures for design and verification calculations of the beam-wall with edge breaks under static and cyclic loads This paper considers a thin-walled steel beam-wall with broken edges, which is part of many structures. The wall of this beam consists of two prismatic parts with a straight transition from a lower wall height to a higher one, forming a broken upper edge together with the edges of the prismatic parts. The bottom straight edge of the wall is attached to the cladding. The beam-wall is affected by static and cyclic nominal loads, which can cause the appearance of elastic-plastic deformations in the stress concentrator. This causes non-fulfillment of static strength and the appearance and growth of fatigue cracks. In the current work, procedures of design and verification calculation of a steel beam-wall with fractured edges at elastic static and cyclic elastic-plastic deformation in the stress concentrator are proposed. The material of the beam is ideal elastic-plastic. Features of the procedures are the possibility of optimal design under conditions of elastic and elastic-plastic deformation, using dependences only for optimal elastic design. A distinctive signature of the procedures is that, through Neiber's formula, elastic-plastic characteristics are not determined by known elastic ones, as usual, but vice versa. According to the established dependences for cyclic elastic-plastic deformations in the concentrator, the theoretical concentration coefficient is determined, which, in turn, is involved in determining the optimal geometric parameters. The procedures give reliable results with nominal symmetrical cyclic loads up to 0.6 of the yield strength. This is because Naber's formula always yields conservative results, causing excess strength. The procedures can be applied separately for stretching-compression and bending, and with their combined action Beam (structure) ; Materials science ; Enhanced Data Rates for GSM Evolution ; Structural engineering ; Deformation (meteorology) ; Stress (linguistics) ; Yield (engineering) ; Concentrator ; Composite material ; Optics ; Physics ; Engineering Material Properties and Applications ; Engineering Diagnostics and Reliability ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry
Authors: Ryoko Oishi‐Tomiyasu
Source: arXiv (Cornell University) (preprint, 2023-12-13)
Field: Materials Science — Materials Chemistry

Ideas of lattice-basis reduction theory for error-stable Bravais lattice determination and ab-initio indexing In ab-initio indexing, for a given diffraction/scattering pattern, the unit-cell parameters and the Miller indices assigned to reflections in the pattern are determined simultaneously. "Ab-initio" means a process performed without any good prior information on the crystal lattice. Newly developed ab-initio indexing software is frequently reported in crystallography. However, it is not widely recognized that use of a Bravais lattice determination method, which is tolerant to experimental errors, can simplify indexing algorithms and increase their success rates. One of the goals of this article is to collect information on the lattice-basis reduction theory and its applications. The main result is Bravais lattice determination algorithm for 2D lattices, along with a mathematical proof that it works even for parameters containing large observational errors. As in our error-stable algorithm for 3D lattices, it uses two lattice-basis reduction methods that seem to be optimal for different symmetries. In indexing, a method for error-stable unit-cell identification is also required to exclude duplicate solutions. We introduce several methods to measure the difference of unit cells known in crystallography and mathematics. Bravais lattice ; Lattice (music) ; Search engine indexing ; Basis (linear algebra) ; Mathematics ; Algorithm ; Computer science ; Crystal structure ; Physics ; Crystallography ; Chemistry ; Artificial intelligence ; Geometry Machine Learning in Materials Science ; Surface Chemistry and Catalysis ; Theoretical and Computational Physics
Authors: Metin Aydoğdu | Kadir Akan
Source: Turkish Journal of Remote Sensing and GIS (article, 2023-07-02)
Field: Chemistry — Analytical Chemistry

Evaluation of Yellow Rust Reactions in some Bread and Durum Wheat Varieties by Using Spectral Band Regions Yellow rust (caused by Puccinia striiformis f. sp. tritici) is an important fungal disease affecting wheat production and quality. The purpose of this study was to identify the spectral band regions that influence how the disease changes throughout the year by determining how the plant responds to yellow rust when it is applied to test materials at various doses (0%, 25%, 50%, and 100%). Eser, Bayraktar 2000 and Demir 2000 varieties showed high correlation in the early-mid period of the study for bread varieties, while Kenanbey variety exhibited high correlation in the mid-late period. Effective band region for all bread types are The Red+Red Edge+ Near Infrared (NIR) range and NIR range of the Kenanbey variety both showed an increase (+) in disease severity values. Eminbey and Çeşit-1252 varieties for durum varieties displayed high correlation in the early period, followed by Mirzabey 2000 variety in the early to medium period and Kızıltan-91 variety the mid to late period. Kızıltan 91 variety in Red+Red Edge+NIR region, Çeşit-1252 variety in Green+Red region, Eminbey and Mirzabey 2000 varieties in Green+Red+Red Edge were effective in band ranges in the region and showed an increase (+) in disease severity reactions. Rust (programming language) ; Horticulture ; Stripe rust ; Puccinia striiformis ; Agronomy ; Biology ; Cultivar ; Plant disease resistance Spectroscopy and Chemometric Analyses ; Wheat and Barley Genetics and Pathology ; Horticultural and Viticultural Research
Authors: Muhammad Amir | Shenela Naqvi | Farhana Naeem
Source: Mehran University Research Journal of Engineering and Technology (article, 2023-09-29)
Field: Materials Science — Polymers and Plastics

Investigation into shrinkage of stretchable denim fabric and its consumption in marker making by varying drying temperatures This investigation was carried out to minimize Cotton and Cotton–polyester stretchable denim fabrics consumption for garment development through marker making. It was achieved by controlling fabric shrinkage by reducing drying temperature after washing in fixed processing time, without compromising properties of denim; Tensile strength, Stretch (growth and recovery at constant and cyclic loading) and colour strength (K/S) of required shade. warp faced 3x1 and 2x1 denim containing elastin were constructed and then washed using same recipe as per industrial practice however drying temperatures were set at 50oC, 60oC and 70oC, separately. After measuring shrinkage and evaluating tensile strength, Stretch, Growth and recovery at constant and cyclic loading and colour strength (K/S) using standard test methods; trouser marker layout was developed by employing Gerber technology to investigate fabrics consumption. The obtained shrinkage % demonstrated a significant coefficient of determination (R2=0.9931) against drying temperatures. Relation of tensile strength, colour strength and growth were insignificant however stretch, growth and recovery at static and cyclic loading were significantly affected by changing temperatures. Average shrinkage % of stretchable denim fabric was 1.71% in warp and 8.24% in weft at 50oC. It increased to 12.05% in weft at 60oC however remained same in warp while against 70oC it was 1.82% in warp and 14.08% in weft. 10 minutes drying time was kept same for selected drying temperatures. It was found that fabric consumption reduced to 1.25 m per trouser from 1.32 m per trouser by setting drying temperature at 50oC. Present research work provides guideline to denim industries to process stretchable denim at lower drying temperature i.e., 50oC because it not only reduced consumption of elastin containing denim fabric, but it also makes process cost effective as well as environmentally friendly. Denim ; Shrinkage ; Ultimate tensile strength ; Materials science ; Composite material ; Polyester Textile materials and evaluations ; Additive Manufacturing and 3D Printing Technologies ; Dyeing and Modifying Textile Fibers
Authors: Henry Webel | Yasset Pérez‐Riverol | Annelaura Bach Nielson | Simon Rasmussen
Source: Research Square (preprint, 2023-11-07)
Field: Chemistry — Spectroscopy

Mass spectrometry-based proteomics data from thousands of HeLa control samples Mass spectrometry ; Proteomics ; HeLa ; Chemistry ; Computational biology ; Chromatography ; Computer science ; Biology ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: David Richard | Geert Kapteijns | Edan Lerner
Source: arXiv (Cornell University) (preprint, 2023-03-22)
Field: Materials Science — Materials Chemistry

Detecting low-energy quasilocalized excitations in computer glasses Soft, quasilocalized excitations (QLEs) are known to generically emerge in a broad class of disordered solids, and to govern many facets of the physics of glasses, from wave attenuation to plastic instabilities. In view of this key role of QLEs, shedding light upon several open questions in glass physics depends on the availability of computational tools that allow to study QLEs' statistical mechanics. The latter is a formidable task since harmonic analyses are typically contaminated by hybridizations of QLEs with phononic excitations at low frequencies, obscuring a clear picture of QLEs' abundance, typical frequencies and other important micromechanical properties. Here we present an efficient algorithm to detect the field of quasilocalized excitations in structural computer glasses. The algorithm introduced takes a computer-glass sample as input, and outputs a library of QLEs embedded in that sample. We demonstrate the power of the new algorithm by reporting the spectrum of glassy excitations in two-dimensional computer glasses featuring a huge range of mechanical stability, which is inaccessible using conventional harmonic analyses due to phonon-hybridizations. Future applications are finally discussed. Phonon ; Harmonic ; Physics ; Range (aeronautics) ; Sample (material) ; Spectral density ; Statistical physics ; Materials science ; Condensed matter physics ; Computer science ; Quantum mechanics Material Dynamics and Properties ; Glass properties and applications ; Tree-ring climate responses
Authors: Mikhail Pankov | E.M. Pritotskii | Artem Sazhin | Maria Konnikova
Source: E3S Web of Conferences (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Multilevel transmission contrast in optical structures with thin films of GeTe Analysis of the optical properties: refractive index n(λ) and extinction coefficient k(λ), of thin films of phase-change materials obtained by photometric and ellipsometric methods allows to optimize optical characteristics reflection R, transmission T and absorption A. The interference of an electromagnetic wave in an absorbing thin film on a dielectric substrate significantly affects the values of the optical characteristics. Optimization of the optical characteristics is possible through the use of additional layers of dielectric materials, which are used to compensate for the difference in the refractive indices of the film with the substrate and air and minimize the reflection. This approach will increase the contrast of the transmission levels for the modulated optical signal in near infrared range. Calculations of the optical characteristics of thin films of germanium telluride in multi-layer structures are performed. Experimental samples of structures with antireflection layers of zinc sulfide have been prepared and their optical transmission characteristics have been investigated. The combination of multilayer structures for the implementation of contrast levels of transmission have been determined. Materials science ; Refractive index ; Thin film ; Optics ; Molar absorptivity ; Substrate (aquarium) ; Dielectric ; Optoelectronics ; Reflection (computer programming) ; Attenuation coefficient ; Transmission (telecommunications) ; Absorptance ; Absorption (acoustics) ; Reflectivity ; Nanotechnology Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Thermography and Photoacoustic Techniques
Authors: Oliver Degerstedt | P.W. O’Callaghan | Ada Lerma Clavero | Johan Gråsjö | Olle Eriksson | Erik Sjögren | Per Hansson | Femke Heindryckx | Johan Kreuger | Hans Lennernäs
Source: Research Square (preprint, 2023-06-06)
Field: Materials Science — Biomaterials

Quantitative imaging of doxorubicin diffusion and cellular uptake in biomimetic gels with human liver tumor cells Doxorubicin ; Diffusion ; Chemistry ; Biophysics ; Human liver ; Tumor cells ; Nanotechnology ; Cell biology ; Materials science ; Cancer research ; Biochemistry ; Medicine ; Biology ; In vitro ; Physics ; Internal medicine ; Chemotherapy Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; 3D Printing in Biomedical Research
Authors: Rajendra Bojanala | Prakash Neswi Shivappa
Source: International Journal of Research -GRANTHAALAYAH (article, 2023-11-09)
Field: Chemistry — Spectroscopy

REVIEW ON COMPREHENSIVE HEAVY METALS ANALYSIS: A CRUCIAL TOOL FOR HEALTH ASSESSMENT WHEN USING HERBAL DRUGS/SUPPLEMENTS Heavy metals are a group of toxic elements that pose significant risks to human health when herbal substances are consumed as drugs/supplements. Due to their persistence and bioaccumulation potential, it is crucial to conduct regular heavy metals analysis to monitor their concentration, and potential sources. This review highlights the importance of heavy metals analysis in assessing &amp; evaluating human exposure, and implementing effective mitigation strategies. Bioaccumulation ; Heavy metals ; Human health ; Environmental chemistry ; Risk analysis (engineering) ; Environmental health ; Chemistry ; Medicine Mass Spectrometry Techniques and Applications ; Analytical chemistry methods development ; Pesticide Residue Analysis and Safety
Authors: Edgar Enrique Sosa Rubio | Matilde Cortazar Ríos | Gilbert Jose Herrera Cool | Jorge Humberto Ramirez Silva | Maria Del Carmen Zavaleta Cordoba | Francisco Montoya Reyes
Source: Zenodo (CERN European Organization for Nuclear Research) (article, 2023-01-31)
Field: Chemistry — Inorganic Chemistry

NUTRIENT COMPOSITION OF YELLOW MALAY DWARF COCONUT TREE (COCOS NUCIFERA L.) LEAF USING GREEN MANURES The objective of the study was to evaluate the effect of different green manures on the concentration of macro and micronutrients present in the leaves of the Dwarf Malaysian Yellow coconut palm. The experiment was carried out from April 2018 to December 2020, at the INIFAP Chetumal Experimental Field. A randomized block experimental design was used, with four replications for eight treatments: T1 without fertilization, T2 chemical fertilization, T3 partial chemical fertilization, T4 <em>Tithoniadiversifolia</em> (Td), T5 <em>Clitoriaternatea</em> (Ct), T6 <em>Leucaenaleucocephala</em>(Ll), T7 <em>Canavaliaensiformis</em> (Ce) and T8 <em>Gliricidiasepium</em> (Gs). The sowing of the green manures was carried out between the rows of coconut palms, in two separate rows one meter apart and one meter between plants. The concentration of macro (N, P, K, Ca, and Mg) and micronutrients (Cl, Na) in leaf number 9 was evaluated. The results indicate that macro and micronutrients were not influenced by the treatments fertilized with N, P and K. It was observed that treatments T6 Coco+ <em>C. ensiformis</em>, T7 Coco+ <em>T. diversifolia</em> and T8 Coco+ <em>C. ternatea</em> influenced the evaluation obtained in leaves due to values obtained were considered optimal. Concentrations of N, P, Ca and Mg in the leaf decreased, Cu and Cl were higher than the critical levels, after two years of starting the work. Cocos nucifera ; Biology ; Nutrient ; Composition (language) ; Botany ; Malay ; Agronomy ; Horticulture ; Ecology ; Art Coconut Research and Applications ; Food Chemistry and Fat Analysis
Authors: Bartosz Baranowski | Marianna Krysińska | Marcin Gradowski
Source: Research Square (preprint, 2023-10-27)
Field: Materials Science — Materials Chemistry

KINtaro – protein kinase-like database Abstract Objective The superfamily of protein kinases features a common Protein Kinase-like (PKL) three-dimensional fold. Proteins with PKL structure can also possess enzymatic activities other than protein phosphorylation, such as AMPylation or glutamylation. PKL proteins play a vital role in the world of living organisms, contributing to the survival of pathogenic bacteria inside host cells, as well as being involved in carcinogenesis and neurological diseases in humans. The superfamily of PKL proteins is constantly growing. Therefore, it is crucial to gather new information about PKL families. Results To this end, the KINtaro database (http://bioinfo.sggw.edu.pl/kintaro/) has been created as a resource for collecting and sharing such information. KINtaro combines protein sequence information and additional annotations for more than 70 PKL families, including 32 families not associated with PKL superfamily in established protein domain databases. KINtaro is searchable by keywords and by protein sequence and provides family descriptions, sequences, sequence alignments, HMM models, 3D structure models, experimental structures with PKL domain annotations and sequence logos with catalytic residue annotations. Biology ; Protein family ; Computational biology ; Protein sequencing ; SUPERFAMILY ; Sequence alignment ; Genetics ; Peptide sequence ; Bioinformatics ; Gene Enzyme Structure and Function ; Biochemical and Molecular Research ; RNA and protein synthesis mechanisms
Authors: Uluk Rasulov | Anupama Acharya | Marina Carravetta | Mathies, Guinevere | Kuprov, Ilya
Source: arXiv (Cornell University) (preprint, 2023-03-14)
Field: Chemistry — Spectroscopy

Simulation and design of shaped pulses beyond the piecewise-constant approximation Response functions of resonant circuits create ringing artefacts if their input changes rapidly. When physical limits of electromagnetic spectroscopies are explored, this creates two types of problems. Firstly, simulation: the system must be propagated accurately through every response transient, this may be computationally expensive. Secondly, optimal control: circuit response must be taken into account; it may be advantageous to design pulses that are resilient to such distortions. At the root of both problems is the popular piecewise-constant approximation for control sequences in the rotating frame; in magnetic resonance it has persisted since the earliest days and has become entrenched in the commercially available hardware. In this paper, we report an implementation and benchmarks of recent Lie-group methods that can efficiently simulate and optimise smooth control sequences. Ringing ; Piecewise ; Constant (computer programming) ; Frame (networking) ; Transient (computer programming) ; Computer science ; Electronic circuit ; Transient response ; Control (management) ; Control theory (sociology) ; Algorithm ; Mathematics ; Engineering ; Electrical engineering ; Telecommunications ; Mathematical analysis Advanced NMR Techniques and Applications ; Electromagnetic Simulation and Numerical Methods ; Magnetic Properties and Applications
Authors: Hà Thanh Tùng | Dieu An Nguyen Thi
Source: Bulletin of Electrical Engineering and Informatics (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

White light-emitting diode daubed via CaSc&lt;sub&gt;2&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt;:Ho&lt;sup&gt;3+&lt;/sup&gt;/Yb&lt;sup&gt;3+&lt;/sup&gt; nanocrystal sheets enclosed using SiO&lt;sub&gt;2&lt;/sub&gt; Our investigation assesses the downshifting (DS), periodicity up-transmutation as well as internal light consistency from phosphor samples of CaSc2O4 incorporated with Ho3+/Yb3+ along with up-conversion from CaY2O4 incorporated with Ho3+/Yb3+. These samples are created via precursor antecedent compound technique. The generation for the crystalline samples having orthorhombic stage is validated by the X-ray powder diffraction. The dispersal reflectance spectra exhibit several lines within the zones of ultraviolet–visible–near infrared (UV-vis-NIR), resulting from the ions of Ho3+ as well as Yb3+. The optical band gap (Eg) results reach 5.69 and 5.58 eV, corresponding to CaSc2O4:Ho3+/Yb3+ and CaY2O4:Ho3+/Yb3+. The CaSc2O4:Ho3+/Yb3+ samples exhibit potent downshifting discharge in green hue when excited under 454 nm. CaSc2O4:Ho3+/Yb3+, as well as CaY2O4:Ho3+/Yb3+, exhibit potent discharges in green hue as well as near-infrared up-transmutation discharges in faint blue and red hues when excited under 980 nm. The spectrum hue clarity -Sgr – for CaSc2O4:Ho3+(1%)/Yb3+(5%) reaches 0.78. The disparity in pumping force yields internal light consistency for said sample with the green discharge, being nonexistent in the CaY2O4:Ho3+(1%)/Yb3+(5%) sample. As such, CaSc2O4:Ho3+/Yb3+ may prove useful when applied to up-transmutation apparatuses. Materials science ; Analytical Chemistry (journal) ; Excited state ; Chemistry ; Physics ; Atomic physics Luminescence Properties of Advanced Materials ; Gas Sensing Nanomaterials and Sensors ; Ga2O3 and related materials
Authors: С.В. Абрамов | В. В. Головин | E. A. Tikhonova | A. V. Balyshev
Source: Agrarian science (article, 2023-08-25)
Field: Chemistry — Organic Chemistry

Bioequivalence study of veterinary drugs based on oclacitinib «Nicialle» and «Apoquel» in dogs The article presents the results of a study of the comparative pharmacokinetics (bioequivalence) of two drugs for veterinary use-the reproduced drug «Nizialle» and the original drug «Apoquel». The experiments were carried out on 12 dogs divided into two equal groups (six individuals in each). Animals of one group were given a reproduced drug orally, dogs of the other group were given a reference drug. The studied drugs were injected into the body of dogs once (individually) orally. Each animal was given a dose of each drug, corresponding to 0.6 mg oclacitinib per 1 kg of body weight. After a single administration of drugs, blood samples were taken from each dog in the group for subsequent serum collection. In the obtained blood serum samples, the content of oclacitinib was determined by highperformance liquid chromatography. The obtained values of oclacitinib concentrations served as the basis for calculating its pharmacokinetic parameters in dogs. The conducted statistical analysis showed that the two-sided confidence intervals for the C max , AUC 0-t , AUC 0- ∞ ratios were in the range of 80–125%, and the C max / AUC 0-t ratios were in the range of 75–133%. Thus, the results of the studies demonstrated that the preparations «Apoquel» and «Nizialle» are bioequivalent. Bioequivalence ; Pharmacokinetics ; Medicine ; Drug ; Confidence interval ; Pharmacology ; Drug administration ; Oral administration ; Veterinary drug ; Internal medicine ; Chromatography ; Chemistry Synthesis and Characterization of Heterocyclic Compounds ; Pharmacological Effects of Natural Compounds