jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Canan Demir | Sıddık Keskin | Fatih Şen
Source: Frontiers in Chemistry (article, 2022-05-26)
Field: Chemistry — Analytical Chemistry

ANOM Approach for Statistical Evaluation of Some Antioxidant Enzyme Activities Free radicals are chemical molecules that are more reactive and have an unpaired electron. Free radicals formed inside the cell oxidize biomolecules, leading to cell death and tissue damage. Antioxidants are molecules that can stabilize or inactivate free radicals before they damage the cell. In this study; the availability of Malondialdehyde, Superoxide dismutase, Catalase and Reduced glutathione levels as markers for related diseases was evaluated by examining whether and in what range they may vary in some diseases. In study, nine groups consist of prostate cancer, cirrhosis, liver transplantation, chronic kidney damage, acute kidney injury, X-ray exposure, CT exposure, MR exposure and Osteonecrosis. Analysis of means is a method developed to compare group means with the overall mean and presents the results graphically in an easy-to-understand manner without the required for any post hoc test. In addition, related characteristics were categorized as "low and high" and Nonlinear Principal Component Analysis was conducted to visually present their relationship with related disease types in two-dimensional space. The upper and lower decision lines were found 3.123 and 2.794 μmol/L, respectively for Malondialdehyde. Those with cirrhosis, chronic kidney disease, acute kidney disease and tomography exposure were included in the upper and lower decision lines. Those with prostate cancer, osteonecrosis, and X-ray exposure were above the upper decision line and are found higher than the overall mean. Those with lung transplantation and MR exposure appear to be below the lower decision line and lower than the overall mean. The present study provides the first comprehensive assessment of the availability of Malondialdehyde, Superoxide dismutase, Catalase and Reduced glutathione levels as markers for some related diseases. This study has shown that Analysis of means can be used as an alternative graphical procedure for multiple group comparisons with an overall mean in the studies regarding as biochemical characteristics and relating diseases. In addition, Nonlinear Principal Component Analysis can be useful aid for decision marker in some biochemical characteristics and related diseases. Malondialdehyde ; Superoxide dismutase ; Cirrhosis ; Prostate cancer ; Catalase ; Medicine ; Radical ; Antioxidant ; Kidney disease ; Transplantation ; Pathology ; Internal medicine ; Chemistry ; Biochemistry ; Cancer Spectroscopy and Chemometric Analyses ; Computational Drug Discovery Methods ; Phytochemicals and Antioxidant Activities
Authors: Valeria Bragaglia | Vara Prasad Jonnalagadda | Marilyne Sousa | Syed Ghazi Sarwat | Benedikt Kersting | Abu Sebastian
Source: Nanomaterials (article, 2022-05-17)
Field: Materials Science — Materials Chemistry

Structural Assessment of Interfaces in Projected Phase-Change Memory Non-volatile memories based on phase-change materials have gained ground for applications in analog in-memory computing. Nonetheless, non-idealities inherent to the material result in device resistance variations that impair the achievable numerical precision. Projected-type phase-change memory devices reduce these non-idealities. In a projected phase-change memory, the phase-change storage mechanism is decoupled from the information retrieval process by using projection of the phase-change material's phase configuration onto a projection liner. It has been suggested that the interface resistance between the phase-change material and the projection liner is an important parameter that dictates the efficacy of the projection. In this work, we establish a metrology framework to assess and understand the relevant structural properties of the interfaces in thin films contained in projected memory devices. Using X-ray reflectivity, X-ray diffraction and transmission electron microscopy, we investigate the quality of the interfaces and the layers' properties. Using demonstrator examples of Sb and Sb<sub>2</sub>Te<sub>3</sub> phase-change materials, new deposition routes as well as stack designs are proposed to enhance the phase-change material to a projection-liner interface and the robustness of material stacks in the devices. Robustness (evolution) ; Projection (relational algebra) ; Phase-change memory ; Phase change ; Phase-change material ; Materials science ; Stack (abstract data type) ; Computer science ; Phase (matter) ; Phase retrieval ; Diffraction ; Electronic engineering ; Metrology ; Interface (matter) ; Optics ; Engineering physics ; Composite material ; Algorithm ; Engineering Phase-change materials and chalcogenides ; Advanced Memory and Neural Computing ; Chalcogenide Semiconductor Thin Films
Authors: Ajib Susanto | Ibnu Utomo Wahyu Mulyono
Source: JOURNAL OF INFORMATICS AND TELECOMMUNICATION ENGINEERING (article, 2022-07-21)
Field: Chemistry — Analytical Chemistry

A Good Accuracy in Apple Fruits Quality Based on Back Propagation Neural Network and Feature Extraction Apel merupakan varietas buah yang memounyai banyak jenis. Aple ang secara visual tampak sama, bisa jadi merupakan variates yang berbeda misalnya jenis apel Grany smith, Apel golden dan apel malang. Ketiga apel tersebut sama-sama berwarna hijau. Secara kasat mata warna saja tidak cukup untuk mengklasifikasi, sehingga perlu adanya pemnafaatan teknologi yang dapat membantu proses klasifikasi menjadi lebih akurat. Pengolahancitra digital, lewat proses segmentasi warna menggunakan algoritma Back Propagation Neural Network (BPNN) dapat digunakan untuk proses klasifikasi jenis apel. Dalam penelitian ini digunakan 12 macam apel yaitu apel Golden, apel Grany Smith, apel Braeburn, apel Red delicious, apel Malang, apel Red Yellow, apel Red, apel Anna, apel Golden Delicious, apel Fuji, apel Gala, dan aepl Honeycrisp. Pemnafaatan fitur ekstraksi warna dan ciri membuktikan bahwa akurasi dapat mencapai nilai optimal hingga 93%., presisi 94% dan recal 94% dengan menggunakan ekstraksi fitur RGB Humanities ; Art Spectroscopy and Chemometric Analyses
Authors: Andrew T. Rajczewski | Qiyuan Han | Subina Mehta | Praveen Kumar | Pratik Jagtap | Charles G. Knutson | James G. Fox | Natalia Tretyakova | Timothy J. Griffin
Source: Proteomes (article, 2022-04-14)
Field: Chemistry — Spectroscopy

Quantitative Proteogenomic Characterization of Inflamed Murine Colon Tissue Using an Integrated Discovery, Verification, and Validation Proteogenomic Workflow Chronic inflammation of the colon causes genomic and/or transcriptomic events, which can lead to expression of non-canonical protein sequences contributing to oncogenesis. To better understand these mechanisms, <i>Rag2</i><sup>-/-</sup><i>Il10</i><sup>-/-</sup> mice were infected with <i>Helicobacter hepaticus</i> to induce chronic inflammation of the cecum and the colon. Transcriptomic data from harvested proximal colon samples were used to generate a customized FASTA database containing non-canonical protein sequences. Using a proteogenomic approach, mass spectrometry data for proximal colon proteins were searched against this custom FASTA database using the Galaxy for Proteomics (Galaxy-P) platform. In addition to the increased abundance in inflammatory response proteins, we also discovered several non-canonical peptide sequences derived from unique proteoforms. We confirmed the veracity of these novel sequences using an automated bioinformatics verification workflow with targeted MS-based assays for peptide validation. Our bioinformatics discovery workflow identified 235 putative non-canonical peptide sequences, of which 58 were verified with high confidence and 39 were validated in targeted proteomics assays. This study provides insights into challenges faced when identifying non-canonical peptides using a proteogenomics approach and demonstrates an integrated workflow addressing these challenges. Our bioinformatic discovery and verification workflow is publicly available and accessible via the Galaxy platform and should be valuable in non-canonical peptide identification using proteogenomics. Proteogenomics ; Workflow ; Computational biology ; Computer science ; Biology ; Transcriptome ; Biochemistry ; Database Advanced Proteomics Techniques and Applications ; Glycosylation and Glycoproteins Research ; Molecular Biology Techniques and Applications
Authors: Fernando Otero | Gloria L. Frontini
Source: Trends in Computational and Applied Mathematics (article, 2022-11-08)
Field: Materials Science — Surfaces, Coatings and Films

A Novel In Silico Monte Carlo Approach to Optimize a PSD Estimation Problem. Generation of Data Fusion Experiment Rules This article analyzes the performance of combining information from Scanning Electron Microscopy (SEM) micrographs with Static Light Scattering (SLS) measurements for retrieving the so-called Particle Size Distribution (PSD) in terms of experimental features. The corresponding data fusion is implemented using a novel Monte Carlo-based method consisting in a SMF (Sampling-Mapping-Filtering) approach. This approach provides an important reference to assess the strategy of the experiment for this specific problem by means of solving an inverse problem. Furthermore, low levels of volume fraction and a PSD represented by log-normal distributions are considered in order to reduce processing and model errors due to ill-posedness. The prior statistics corresponding to the SEM micrographs have been achieved by means of the Jackknife procedure used as a resampling technique. The likelihood term considers iid normal measurements generated from the Local Monodisperse Approximation (LMA) and also makes use of the same model as forward linear model, in an inversion case known as inverse crime. However, it has been proved that the LMA performs well in practice for low fraction volume systems as considered here. The PSD retrieval is measured in terms of improvement in precision with respect to one of the log-normal parameters in SEM micrographs, i.e., the desirability. Estimates are expressed as a function of a typical system parameter such as polydispersity, as well as experimental variables, i.e., number of particles per micrograph (PPM) and noise level $\varepsilon$ in the SLS measurements. These estimations are then analyzed by means of the Box-Behnken (BB) design and the response surface methodology (RSM) in order to generate a surrogate model from which rules for the optimization of the experiment are made when desirability is maximized. Finally, a Rule-Based System (RBS) is proposed for future use. Monte Carlo method ; Inverse ; Algorithm ; Jackknife resampling ; Mathematics ; Statistics ; Estimator Electron and X-Ray Spectroscopy Techniques ; Environmental Impact and Sustainability
Authors: Sadataka Furui | Serge Dos Santos
Source: Proceedings of The 39th International Symposium on Lattice Field Theory — PoS(LATTICE2022) (article, 2022-12-07)
Field: Chemistry — Spectroscopy

Clifford Fourier Transforms in (2+1)D Lattice Simulations of Soliton Propagations Monte Carlo simulation of solitonic phonon propagation on a 2D plane in Weyl fermion-sea is analyzed. We assume materials are filled with Weyl spinors located on $256\times 256$ 2D lattice points, which are expressed by quaternions ${\bf H}$. The topology of solitonic phonon propagation is defined by modifying fixed point actions of 4D Quantum Chromo Dynamics action to (2+1)D action, replacing Dirac fermions by Weyl fermions, and changing the electric charge current flow to the energy flow. We consider $A$ type loops whose path are on a 2D plane, and $B$ type loops which contain two parallel links that connect two 2D plane on different time slices. The length of loops are restricted to be less than or equal to 8 lattice units. At the moment spatial lattice unit and time lattice unit are same. They can be chosen arbitrarily when one compares hysteresis effects with experimental data Using the quaternion expression of Porteous, we calculate the plaquette part of loop actions and the link part of loop actions. Link actions of $A$ type loops cancel with each other, but those of $B$ type loops depends on whether the spin rotation is clockwise or that is counterclockwise. In the present work we consider average of clockwise rotating and counterclockwise rotating loop contributions. Physics ; Spinor ; Fermion ; Lattice (music) ; Quaternion ; Topology (electrical circuits) ; Quantum mechanics ; Geometry ; Mathematics Advanced NMR Techniques and Applications ; Physics of Superconductivity and Magnetism ; Topological Materials and Phenomena
Authors: Ana Aline Mendes Paim | Morgana Carneiro de Andrade | Fernanda Steffens
Source: Brazilian Journal of Information Science research trends (article, 2022-05-23)
Field: Materials Science — Polymers and Plastics

Mapping and bibliometric analysis of scientific publications on the use of textile materials for protection in pandemics One of the main segments of technical textiles are textile materials applied in the medical field. These are products specifically developed to meet the demands of healthcare applications. These products are commonly used in personal protective clothing for healthcare professionals and patients, in order to avoid or minimize the risks of cross-infections. During the occurrence of pandemics, there is a worldwide spread of an epidemic causing an excessive number of deaths. In December 2019 there were the first cases of Severe Acute Respiratory Syndrome, caused by a new type of coronavirus, SARS-CoV-2, beginning the Coronavirus Pandemic. In that regard and considering the role of medical textiles for personal protection, the purpose of this work was to map and investigate the main research focuses related to the use of textile materials for protection in pandemics, in the last five years. The methodology used is the ProKnow-C, following all of its steps from the selection of databases and keywords, to obtaining and bibliometric analyzing the final portfolio with 16 articles. From this portfolio, it was possible to gain a knowledge base about textiles materials applied in the medical field. Also, identify the most relevant journals and authors and understand the focus of research now that is the development of respiratory protection masks. Still as a result of the research carried out, it is possible to note that the efforts to solve problems related to personal protection in the Medicine field results in an intense synergy between Textile Engineering and Materials Science. Portfolio ; Clothing ; Pandemic ; Personal protective equipment ; Textile ; Business ; Health care ; Work (physics) ; Field (mathematics) ; Coronavirus disease 2019 (COVID-19) ; Risk analysis (engineering) ; Computer science ; Medicine ; Engineering ; Disease ; Political science ; Geography ; Economic growth ; Economics ; Mechanical engineering ; Infectious disease (medical specialty) Textile materials and evaluations
Authors: Piotr Szefer | Małgorzata Grembecka
Source: European Journal of Translational and Clinical Medicine (article, 2022-05-31)
Field: Chemistry — Analytical Chemistry

Bromatological, analytical and chemometric assessment of animal and plant foods based on mineral composition There are several examples of numerous applications of analytical and multivariate techniques useful in investigations of varied assortment of food products. The successful use of chemometrics in study of food such as meat and its products, fish, seafood, milk and dairy products, honey, cereal products, oils, oilseeds and nuts, vegetables, fruits, mushrooms, tea, coffee, confectionary products, mineral waters and alcoholic beverages deserves attention. RDA indicated exceeded its normative values for Se, Cu, Mn, Fe and Cr in some groups of animal food and Cr, Mn, P and Fe in some assortment of plant food. Based on PTWI values for Pb, Cd and Hg, there is no threat to human health resulting from the consumption of the investigated food products. It is concluded that the proper use of analytical and chemometric tools is useful for assessing nutritive and health quality of animal and plant foods. They play an important role in quality control, and their classification in view of geographical origin, confection and degree of environmental pollution. Both, instrumental and multivariate techniques would be useable in differentiating unprocessed and technologically processed food as well as detecting fraud to preserve the brand name of the original product. The aim of this study is to give an overview of the crucial issues associated with the implementation of chemometrics in food research and development. Chemometrics ; Food science ; Food products ; Food quality ; Fish <Actinopterygii> ; Snack food ; Fish products ; Food composition data ; Animal food ; Quality (philosophy) ; Biotechnology ; Environmental science ; Chemistry ; Biology Heavy Metals in Plants
Authors: Li Wang | Tsung‐Tse Lin | Ke Wang | Hideki Hirayama
Source: Scientific Reports (article, 2022-12-23)
Field: Chemistry — Spectroscopy

Optical gain reduction caused by nonrelevant subbands in narrow-period terahertz quantum cascade laser designs The recent designs of terahertz quantum cascade lasers usually employ the short periodic length and also the tall barriers for high-temperature operation. In this work, the effect of high-energy lying non-relevant subbands is studied based on nonequilibrium Green's function formalisms model, demonstrating those subbands are probable to play a minor role on the population inversion, but play a major role on the optical gain at high temperatures. The phenomenon can be ascribed to the appearance of leakages crossing neighboring periods via sequential resonant tunneling, and those leakages are inherently created by the specific features of the two-well configuration in this design that the phonon well should be wide enough for performing the phonon scattering to depopulate the lower-laser subband. The narrower periodic length design can strengthen this inter-period leakage. A parasitic absorption between the first high-lying nonrelevant subbands from two laser wells can closely overlap the gain shape and thus significantly reduce the peak gain. Terahertz radiation ; Cascade ; Laser ; Population inversion ; Quantum tunnelling ; Optoelectronics ; Quantum ; Phonon ; Quantum cascade laser ; Physics ; Quantum well ; Materials science ; Optics ; Condensed matter physics ; Chemistry ; Quantum mechanics Spectroscopy and Laser Applications ; Terahertz technology and applications ; Strong Light-Matter Interactions
Authors: A. Anne Frank Joe | A. Veeramuthu | K. Ashokkumar
Source: Malaysian Journal of Computer Science (article, 2022-03-31)
Field: Chemistry — Analytical Chemistry

A NOVEL APPROACH TO COMBINE NIR AND IMAGE FEATURES FOR NON-DESTRUCTIVE ASSAY OF INDIAN WHEAT VARIETIES Near InfraRed Spectroscopy (NIRS) based techniques have evolved tremendously and are being perfected over ages to be applied in a wide variety of applications. This study focuses on the selection of optimum classification algorithms, as an automated variety identifier suitable for wheat grains based on the statistical performance indices for the quality analysis and variety classification of wheat grains. NIRS was used to non-destructively determine protein, carbohydrate, ash and moisture content of wheat grains. Structural analysis focuses on the visualization aspect of the wheat grains such as the shape, size (learnt from the length, width, and height), colour and glossiness of the seed coat. In addition to the spectral information, the image derived characteristics are incorporated into the classification models to further enhance the variety identification of 10 varieties of whole wheat samples UP 262, Samba, RR 21, 343, Super sitwa, Punjab, Ankurkedar, Super 303, Pusa 360, PBW 502. Varietal purity of wheat grains is a significant factor to be considered before the milling process. The results clearly reveal that the proposed selective wavelength-based prediction algorithms and selection of limited individual quality parameters, using improved methods to extract these features has aided with the success of classification performed in this work. The proposed novel approach proves that collaborating the selected spectral features and image features further enhances the effectiveness of this work. Computer science ; Selection (genetic algorithm) ; Pattern recognition (psychology) ; Visualization ; Artificial intelligence ; Variety (cybernetics) ; Identification (biology) ; Biology ; Botany Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Smart Agriculture and AI
Authors: Thomas Bouvarel | Szabolcs Fekete | Davy Guillarme
Source: LCGC North America (article, 2022-04-01)
Field: Chemistry — Spectroscopy

Improving Selectivity in the Chromatographic Analysis of Monoclonal Antibodies (mAbs) Through the Use of Multi-Isocratic Elution Mode When characterizing monoclonal antibodies (mAbs) with reversed-phase liquid chromatography (RPLC), it is often challenging to attain sufficient selectivity between mAbs and their related variants. A new strategy, referred to as multi-isocratic elution mode, has recently been developed. It is based on setting a series of consecutive isocratic steps and very short steep gradient segments at solute elution. This elution mode offers several advantages compared to the usually applied linear gradient mode. Large biomolecules can benefit the most because of their “on/off” elution behavior. Arbitrary selectivity can be set between closely related protein variants while maintaining sharp peaks because of the strong band compression effects occurring at elution within the steep gradient segments. Elution ; Selectivity ; Chromatography ; Monoclonal antibody ; Gradient elution ; Chemistry ; High-performance liquid chromatography ; Analytical Chemistry (journal) ; Antibody ; Biology ; Biochemistry ; Catalysis Analytical Chemistry and Chromatography ; Protein purification and stability ; Microfluidic and Capillary Electrophoresis Applications
Authors: Panagiotis G. Asteris | Danial Jahed Armaghani | Liborio Cavaleri | Hoang Nguyen
Source: Computer Modeling in Engineering & Sciences (article, 2022-10-27)
Field: Materials Science — Materials Chemistry

Introduction to the Special Issue on Soft Computing Techniques in Materials Science and Engineering Soft computing (SC) refers to the ability of a digital computer or robot to perform functions that are normally associated with intelligent individuals, such as reasoning and problem-solving. An example of this would be a project aimed at creating systems capable of reasoning, discovering meaning, generalising, or learning from past experience. Science and engineering problems that are both non-linear and complex can be solved using these methodologies. It has been proven that these algorithms can be used to solve numerous real-world problems. The techniques outlined can be used to increase the accuracy of existing models/equations, or they can be used to propose a new model that can address the problem. Science and engineering ; Computational Science and Engineering ; Soft computing ; Computer science ; Engineering ethics ; Engineering physics ; Engineering ; Computational science ; Artificial intelligence Machine Learning in Materials Science ; Neural Networks and Applications