jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Л.И. Корытова | О.Н. Симонова | О.П. Резункова
Source: Vestnik psihofiziologii. (article, 2022-01-26)
Field: Chemistry — Organic Chemistry

EFFECT OF RADIOTHERAPY ON HEART RATE REGULATION IN CANCER PATIENTS Развитие сердечно-сосудистых заболеваний (ССЗ) относится к наиболее частым побочным эффектам при лечении пациентов с онкопатологией в результате токсического влияния противоопухолевого лечения на функцию и строение сердца или в результате ускоренного развития ССЗ при уже имеющихся сердечно-сосудистых факторах риска. Исследовалась вариабельность сердечного ритма больных со злокачественными новообразованиями до лечения и во время лучевой терапии. Опухолевый процесс вызывает снижение уровня функционального состояния и адаптационных резервов. Лучевая терапия вызывает ещё большее снижение уровня функционального состояния и активации адаптивных системных реакций с последующим развитием реакции дезадаптации. The development of cardiovascular diseases (CVD) is one of the most frequent side effects in the treatment of patients with cancer as a result of the toxic effect of anticancer treatment on the function and structure of the heart or as a result of the accelerated development of CVD with existing cardiovascular risk factors. We studied the heart rate variability of patients with malignant neoplasms before and during radiation therapy. The tumor process causes a decrease in the level of the functional state and adaptive reserves. Radiation therapy causes an even greater decrease in the level of the functional state and activation of adaptive systemic reactions, followed by the development of a maladjustment reaction. Radiation therapy ; Cancer ; Medicine ; Internal medicine ; Cardiology ; Oncology Free Radicals and Antioxidants ; Biochemical effects in animals ; Heart Rate Variability and Autonomic Control
Authors: С. С. Савинов | A. D. Titova | N. A. Zverkov | А. И. Дробышев
Source: Industrial laboratory Diagnostics of materials (article, 2022-01-25)
Field: Chemistry — Analytical Chemistry

Determination of trace elements in liquid samples with organic matrix by arc atomic emission spectrometry Conditions for the analysis of liquid samples on a MFS-8 spectrometer upgraded with a MAES photodiode array by arc atomic emission spectrometry with dry residue technique are specified. It is shown that optimization of the electrode shape along with the method of calculating the intensity of the spectral line and time of the base exposure leads to the expansion of the operating range of calibration curves. The arc plasma parameters (temperature and electron density) are similar when the spectra of dry residues of aqueous solutions, saliva, blood serum, and dry wine are excited. This provides direct (without digestion) determination of trace elements in these samples with the detection limits at a level of μg/liter. When a sample of vegetable oil is deposited on the electrode, it is likely to be absorbed in depth and does not enter the arc plasma in full, which makes the direct analysis impossible. Nevertheless, the determination of trace elements in oils by the dry residue technique is possible after acid digestion of the sample. Analytical Chemistry (journal) ; Chemistry ; Atomic emission spectroscopy ; Residue (chemistry) ; Spectrometer ; Detection limit ; Matrix (chemical analysis) ; Electrode ; Mass spectrometry ; Inductively coupled plasma ; Spectral line ; Plasma ; Emission spectrum ; Chromatography ; Optics Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Advanced Chemical Sensor Technologies
Authors: Bin Li | Yuqi Wang | Lisha Li | Yande Liu
Source: Research Square (preprint, 2022-09-14)
Field: Chemistry — Analytical Chemistry

Research on Apple Origins Classification Optimization Based on Least Angle Regression in Instance Selection Abstract The combined near-infrared spectral analysis technology and machine learning is widely used in fruit quality detection. The train set split from the heavy sample set contains redundant samples, and modeling directly may cause larger errors. Instance selection methods can be used to improve the performance of the raw train set by optimally selecting the effective samples. So, the least angle regression-based instance selection (LARIS) method was proposed to improve the model accuracy of fruits classification in this paper, an experiment was conducted on a total of 952 apples from four origins. Before splitting, the spectral reconstruction methods were used for preprocessing and the 19 outliers were eliminated by statistics. The sample set partitioning based on joint x-y distance (SPXY) was used to split the sample set into the raw train set of 699 samples and the test set of 234 samples. 511 samples with a compression ratio of 26.90% and the random train set with the same compression ratio were built based on training samples. Compared these classifiers trained by three train sets, the model’s accuracy established by the optimal train set is 96.6%, which are 4.7% and 6.4% higher than the raw and random train sets. And the average precision and recall of four origins are higher 6% than the raw and random train set. Therefore, the prediction accuracy of apple origins classification model is improved by LARIS. The LARIS method enriches the application and it provides an experimental support for the least angle regression algorithm in instance selection. Test set ; Set (abstract data type) ; Outlier ; Sample (material) ; Random forest ; Artificial intelligence ; Regression ; Selection (genetic algorithm) ; Computer science ; Preprocessor ; Regression analysis ; Pattern recognition (psychology) ; Statistics ; Mathematics Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Horticultural and Viticultural Research
Authors: Hiroki Ban | Shinya Sato | Shinya Yoshikawa | Kazumasa Yamada | Yoji Nakamura | Mutsuo Ichinomiya | Naoki Sato | Romain Blanc‐Mathieu | Hisashi Endo | Akira Kuwata | Hiroyuki Ogata
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-09-09)
Field: Materials Science — Biomaterials

Genome analysis of Parmales, a sister group of diatoms, reveals the evolutionary specialization of diatoms from phago-mixotrophs to photoautotrophs Abstract The order Parmales (Bolidophyceae) is a minor group of pico-sized eukaryotic marine phytoplankton that contains species with cells surrounded by silica plates. Previous studies revealed that Parmales is a member of ochrophytes and sister to diatoms (Bacillariophyta), the most successful phytoplankton group in the modern ocean. Therefore, parmalean genomes can serve as a reference to elucidate both the evolutionary events that differentiated these two lineages and the genomic basis for the ecological success of diatoms vs. the more cryptic lifestyle of parmaleans. Here, we compared the genomes of eight parmaleans and five diatoms to explore their physiological and evolutionary differences. Parmaleans were predicted to be phago-mixotrophs. By contrast, diatoms have undergone loss of genes related to phagocytosis, indicating the ecological specialization from phago-mixotroph to photoautotroph in the early evolution of diatoms. Furthermore, diatoms showed significant enrichment in gene sets involved in silica metabolism, nutrient uptake capacity, carbon concentrating mechanisms, and iron uptake in comparison with parmaleans. Overall, our results suggest a strong evolutionary link between the loss of phago-mixotrophy and specialization to a silicified photoautotrophic life stage early in diatom evolution after diverging from the Parmales lineage. Biology ; Diatom ; Mixotroph ; Phytoplankton ; Lineage (genetic) ; Sister group ; Genome ; Gene ; Ecology ; Evolutionary biology ; Nutrient ; Phylogenetics ; Genetics ; Bacteria ; Heterotroph ; Clade Diatoms and Algae Research ; Microbial Community Ecology and Physiology ; Genomics and Phylogenetic Studies
Authors: Tanja Holstein | Franziska Kistner | Lennart Martens | Thilo Muth
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-09-21)
Field: Chemistry — Spectroscopy

PepGM: A probabilistic graphical model for taxonomic inference of viral proteome samples with associated confidence scores Abstract Motivation Inferring taxonomy in mass spectrometry-based shotgun proteomics is a complex task. In multi-species or viral samples of unknown taxonomic origin, the presence of proteins and corresponding taxa must be inferred from a list of identified peptides which is often complicated by protein homology: many proteins do not only share peptides within a taxon but also between taxa. However, correct taxonomic identification is crucial when identifying different viral strains with high sequence homology – considering, e.g., the different epidemiological characteristics of the various strains of SARS-CoV-2. Additionally, many viruses mutate frequently, further complicating the correct assignment of virus proteomic samples. Results We present PepGM, a probabilistic graphical for the taxonomic assignment of virus proteomic samples with strain-level resolution and associated confidence scores. PepGM combines the results of a standard proteomic database search algorithm with belief propagation to calculate the marginal distributions, and thus confidence score, for potential taxonomic assignments. We demonstrate the performance of PepGM using several publicly available virus proteomic datasets, showing its strain-level resolution performance. In two out of eight cases, the taxonomic assignments were only correct on species level, which PepGM clearly indicates by lower confidence scores. Availability and Implementation PepGM is written in Python and embedded into a Snakemake workflow. Its is available at https://github.com/BAMeScience/PepGM Proteome ; Computational biology ; Inference ; Shotgun proteomics ; Biology ; Probabilistic logic ; Taxonomic rank ; Taxon ; Python (programming language) ; Shotgun ; Confidence interval ; Proteomics ; Bioinformatics ; Computer science ; Genetics ; Artificial intelligence ; Statistics ; Ecology ; Mathematics Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Genomics and Phylogenetic Studies
Authors: Mohammad Mahdi Tafarroj | Hossein Hatami
Source: Research Square (preprint, 2022-07-25)
Field: Materials Science — Materials Chemistry

Machine learning and fuzzy logic application in predicting the effect of dynamic loading on rectangular armed panels - a comparison on impact loading Abstract In a comprehensive experimental work, using of four basic mix designs, 64 rectangular composite panels were made with 100mm 2 of area and 30, 45, 60, and 75mm thickness and tested by impact loading. Compressive, tensile, and flexural strength tests were performed on all the four max designs. Steel fibers with percentages of 0, 0.25, 0.5, and 0.75 with 25m of length were used to make the concrete composites. A hammer with 180kg weight and 7500J power was used as the impact loading with drop hammer test machine (DH-TM). The specimens were dynamically loaded by drop test from a 60cm height. The using of steels fibers and expanded sheets in combination with each other significantly increase the energy absorption. Moreover, the initial peak force increases, while crushing length and deformation of the specimens reduce. In the remainder of the study, using the data obtained from experiments, models based on two well-known techniques-namely artificial neural networks (ANN) and adaptive network-based fuzzy inference system (ANFIS) have been developed to construct a model for the problem. The performance of both techniques is compared and finally the most appropriate one for predicting new data is introduced. Hammer ; Ultimate tensile strength ; Artificial neural network ; Adaptive neuro fuzzy inference system ; Structural engineering ; Universal testing machine ; Test data ; Materials science ; Composite material ; Fuzzy logic ; Computer science ; Engineering ; Machine learning ; Artificial intelligence ; Fuzzy control system High-Velocity Impact and Material Behavior ; Mechanical Behavior of Composites ; Structural Response to Dynamic Loads
Authors: Kevin M. Roccapriore | Ayana Ghosh | Rama K. Vasudevan | Raymond R. Unocic | Matthew G. Boebinger | Maxim Ziatdinov | Sergei V. Kalinin
Source: Microscopy and Microanalysis (article, 2022-07-22)
Field: Materials Science — Surfaces, Coatings and Films

Building Atomic and Plasmonic Devices via Electron Beams: from Desired Structures to Desired Properties The evolution of the aberration correction in Scanning Transmission Electron Microscopy (STEM) has enabled multiple advances including high-resolution structural imaging, pm-level position detection of atomic columns, and ~3-5 mV resolution electron energy loss spectroscopy of the chemical and physical functionalities. These developments have further enabled the precise manipulation of the atomic structure of materials, including removal and formation of atomic planes in 3D materials, controlled atomic motion, and even direct atomic assembly of homo- and heteroatomic artificial molecules. Here, we will discuss several recent advances in STEM-EELS automated experiments as applied to quantum and nanoplasmonic systems. Oak Ridge National Laboratory ; Ridge ; Library science ; Engineering physics ; Art history ; History ; Physics ; Computer science ; Geography ; Cartography ; Nuclear physics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Quantum Dots Synthesis And Properties
Authors: R. Kozubski | Jörg Kärger | Wojciech Tomczy
Source: Diffusion fundamentals. (article, 2022-11-03)
Field: Chemistry — Physical and Theoretical Chemistry

Foreword: Special Issue "IXth Diffusion Fundamentals Conference" 2017) and Erlangen, Germany (2019).The main objective of the series, which became its hallmark, is to invite world-renowned experts to deliver lectures covering the cutting-edge topics of diffusion theory and related experiments, along with their application in a diverse range of disciplines, spanning from social to exact sciences.As a result, it became a common ground for a broad and interdisciplinary audience.Technically, the conferences have always been run in such a manner that while oral presentations covered exclusively invited lectures, contributions reporting on particular research results were presented as posters.Consequently, no parallel sessions were organized meaning that the conference program was entirely accessible to all participants.In 2021, the IX th edition of the Diffusion Fundamentals conference was intended to take place in Krakw (Poland) but was postponed due to the outbreak of the COVID-19 pandemic.Despite this adversity, the arrangements for the conference were still in motion and it was resolved that the conference will be held from 21 st to 24 th of September 2022 -with only one year delay regarding the original schedule. Diffusion ; Library science ; Engineering physics ; Computer science ; Engineering ; Physics ; Thermodynamics Advanced Physical and Chemical Molecular Interactions ; Copper Interconnects and Reliability ; Optimal Experimental Design Methods
Authors: maie kamel | Hanaa Hanaa Abd El-Redeem Salem | Mona Nazih Abdel Bary Nazih Abdel Bary
Source: مجلة البحوث المالیة والتجاریة (article, 2022-10-01)
Field: Chemistry — Analytical Chemistry

Using Johnson Schumacher Model for Parameter Estimation of Nonlinear Regression Model In this study, we aim to estimate parameters of nonlinear model by using ordinary least square. This paper used a real data set on exchange rate, inflation, exports, imports, investments, and budget deficit. The appropriate models of the data are cubic and Johnson Schumacher Model. Both Results of application data and Simulation study appear that the Johnson Schumacher nonlinear regression model is outstanding performance This paper develops the reliable alternative approach of parameter estimation based on the PSO algorithm in the model of nonlinear regression. When the PSO method is used for estimating of nonlinear regression model parameters. Estimating (Forecasting) of the exchange rate using Johnson Schumacher nonlinear model This study presents the following variables: (X1: inflation), (X2: exports), (X3: imports), (X4: investments), (X5: budget deficit). These represent the main variables that affect (Y: exchange rate). The study introduced two nonlinear models cubic and Johnson Schumacher nonlinear model. The Johnson Schumacher nonlinear model shows outstanding performance. The results of the simulation Nonlinear regression ; Estimation ; Statistics ; Mathematics ; Proper linear model ; Regression analysis ; Nonlinear model ; Nonlinear system ; Estimation theory ; Regression ; Applied mathematics ; Computer science ; Polynomial regression ; Econometrics ; Engineering ; Physics Spectroscopy and Chemometric Analyses ; Advanced Statistical Methods and Models
Authors: Mohd Kaif Khan | Mukund Mohan | Pradyumn Jaiswal | Prashant Kumar | Prerna Srivastava
Source: International Journal for Research in Applied Science and Engineering Technology (review, 2022-05-08)
Field: Chemistry — Analytical Chemistry

A Review Paper on Rice Quality Analysis Using Image Processing Technique Abstract: In rice production industry as per the market demand, good quality rice evolution is very important in the present time. The factors for rice quality such as its whiteness, shape, milling degree, chalkiness, cracks and polish are the important factors for to evaluate the rice quality. Quality of rice becomes necessity nowadays for to defend the consumers from using sub standard products, the quality of rice is an important necessity. In the world population more than half people are the primary consumer of rice. It is one of the most important foods to provide energy, protein, essential vitamin and minerals, fiber grain, beneficial antioxidants, and carbohydrates. It is complicated by using the rice kernel manually for rice quality analysis because due to time consuming and having a chance for error with the bias of human perception. To overcome such issues and achieve the rice quality, the image processing technique has a wide scope. The main motive of this paper is to review different techniques that calculate the quality of rice using the image processing technique. Keywords: Rice quality, Chalkiness, Crackiness, Whiteness, Image Processing Quality (philosophy) ; Agricultural engineering ; Scope (computer science) ; Population ; Image processing ; Production (economics) ; Computer science ; Biotechnology ; Computer vision ; Engineering ; Image (mathematics) ; Biology ; Economics ; Medicine Spectroscopy and Chemometric Analyses ; GABA and Rice Research
Authors: Mahmoud M. Sebaiy | Sobhy M. El-Adl | Amr A. Mattar | Mohamed Saleh Elgawish
Source: Research Square (preprint, 2022-04-22)
Field: Chemistry — Analytical Chemistry

Simultaneous Determination of Paracetamol and Orphenadrine Citrate in Rat Plasma using LC–MS/MS Spectrometry Method: Pharmacokinetics and Drug-Drug Interaction Profile Studies Abstract Herein, it is the first developed and fully validated LC-MS/MS method for simultaneous determination of paracetamol (PAR) and orphenadrine citrate (ORP) in rat plasma after oral administration in respect of therapeutic drug monitoring, bioequivalence, pharmacokinetic (PK) and drug-drug interaction (DDI) studies. PAR and ORP were extracted from plasma sample using ACN-induced protein precipitation method. The separation procedure was carried out on an Agilent Eclipse Plus ODS (4.60 x 100 mm, 3.50 μm) column using water-enriched gradient mobile phase consisting of 6 mM ammonium formate plus 0.1% formic acid and ACN at a flow rate of 0.5 mL min -1 . The mass spectrometry parameters were optimized and multiple reaction monitoring (MRM) in positive ion mode of two transitions was utilized for quantification of precursor to production at m/z 152 → 110 &amp; 65 for PAR as [M+2H] 2+ , 270.3 → 181 for ORP as [M + H] + . According to US-FDA bioanalytical requirements, the proposed method was verified in terms of linearity, selectivity, recovery, accuracy, precision, matrix effects, and stability. The method was linear in the range of 1-5000 and 1-500 ng mL -1 with detection limits (S/N of 3) of 0.12 and 0.07 ng mL -1 for PAR and ORP, respectively. The selectivity and high sensitivity of the method succeeded in the study of PK parameters and DDI between PAR and ORP after oral dose administration. The synergistic action between the two drugs was confirmed by studying variable parameters like K a , T max , C max , AUC 0-24 , MRT, and Cl/F. PAR affects the absorption of ORP and decreases its C max but increases its T max in accordance with elevating AUC 0–24 and reducing Cl/F for both drugs. The current PK research is a useful tool for determining the DDI of both medicines and might be used in therapeutic drug monitoring and bioequivalence studies. Chemistry ; Protein precipitation ; Chromatography ; Pharmacokinetics ; Selected reaction monitoring ; Formic acid ; Ammonium formate ; Bioanalysis ; Bioequivalence ; Mass spectrometry ; Tandem mass spectrometry ; Pharmacology Analytical Methods in Pharmaceuticals ; Pharmacological Effects and Assays ; Antibiotics Pharmacokinetics and Efficacy
Authors: Shilpi Akter | Mohammad Motalab | Maksud Helali
Source: Fibres and Textiles (article, 2022-11-01)
Field: Materials Science — Polymers and Plastics

EFFECT OF DIFFERENT CRIMP METHOD OF JUTE FIBRE ON STRENGTH AND ELONGATION PROPERTIES OF JUTE YARN AND WOVEN FABRIC Yarn and fabric strength is one of the most important parameters to predict the uses of the end product. Fabric strength mostly depends on yarn strength and yarn strength is prejudiced by fibre strength or fibre properties. Crimp is one of the essential parameter that influences the fibre properties. In this research, crimp box and gear crimp methods were used to introduce crimp into jute fibre. It was found that crimps were irregular in size, shape and number produced from crimp box method. On the other hand, crimps produced from gear crimp method were comparatively regular in size, shape and number. Yarn and fabric strength tests were carried out according to testing standard. It was revealed that yarn strength and elongation at break of gear crimp method were higher than that of crimp box method. Apart from this, fabric strength and elongation were also improved for a regular and increased number of crimps for gear crimp method. Crimp ; Yarn ; Elongation ; Composite material ; Breaking strength ; Materials science ; Ultimate tensile strength Textile materials and evaluations ; Research in Cotton Cultivation ; Natural Fiber Reinforced Composites