jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lekha Priya Muthusamy | Aravin Prince Periyasamy | Nalankilli Govindan
Source: Journal of the Textile Institute (article, 2021-12-06)
Field: Materials Science — Polymers and Plastics

Prediction of pilling grade of alkali-treated regenerated cellulosic fabric using fuzzy inference system Fabric pilling is formed due to the entanglement of fibers during mechanical actions including abrasion, domestic washing process, and wearing cycles. Pilling resistance is one of the important aesthetic property of fabrics controlling the appearance of fabric quality. Pilling can be controlled by different methods; alkali treatment is one of the methods for the lyocell fabric. In this study, the prediction of pilling resistance on the alkali treated lyocell fabric has been done through a fuzzy inference system (FIS). In general, conventional pilling measurements has some hindrance due to human error and time consuming. This work utilizes the algorithm to provide accurate quantitative values of pilling grades. The correlation coefficient 'r' between predicted and experimental values shows 0.93 for TmAH and 0.81 for NaOH treatments. The forecast between experimental and predicted data sets of pilling grades were evaluated by mean absolute percentage error (MAPE) method and observed the values for NaOH, KOH, LiOH, and TmAH treatments as 16.6%, 18.87%, 21.09%, and 8.72% respectively. Abrasion (mechanical) ; Lyocell ; Fuzzy inference system ; Mean absolute percentage error ; Composite material ; Alkali metal ; Materials science ; Mathematics ; Engineering ; Fiber ; Fuzzy logic ; Artificial intelligence ; Computer science ; Statistics ; Chemistry ; Mean squared error ; Adaptive neuro fuzzy inference system ; Fuzzy control system Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Color Science and Applications
Authors: F. J. Domínguez-Gutiérrez
Source: Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms (article, 2021-12-13)
Field: Materials Science — Materials Chemistry

Temperature effects on the point defects formation in [111] W by neutron induced collision cascade Collision cascade ; Tungsten ; Cascade ; Collision ; Molecular dynamics ; Materials science ; Atomic physics ; Neutron ; Plasma ; Crystallographic defect ; Thermal ; Molecular physics ; Computational physics ; Chemistry ; Nuclear physics ; Physics ; Nanotechnology ; Computer science ; Crystallography ; Computational chemistry ; Thin film Nuclear Materials and Properties ; Fusion materials and technologies ; Ion-surface interactions and analysis
Authors: Umme Ruman | Pooneh Kia
Source: Journal of Research in Nanoscience and Nanotechnology (article, 2021-05-13)
Field: Materials Science — Materials Chemistry

Biosynthesis and Characterization of Silver Nanoparticles from Bitter Melon (Momordica charantia) Fruit and Seed Extract and their Antimicrobial Activity Momordica charantia is a phenolic rich vegetable. In this study, the fruits and seeds extract of M. charantia were used to synthesize silver nanoparticles (Ag NPs) using biotechnological approach. Structural, morphological, and antimicrobial properties of the synthesized Ag-NPs were characterized using UV/Vis Spectrophotometry, Dynamic Light Scattering (DLS), High Resolution Transmission Electronics Microscopy (HRTEM), Field Emission Scanning Electron Microscopy (FESEM), Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray diffraction (XRD). In DLS, the average particle size of Ag-NPs was found 17.5 ± 2.1 nm and 18.3 ± 1.9 nm using seed and fruit extract, respectively. HRTEM has revealed their spherical structure for both seed and fruit extract of M. charantia. FESEM images found Ag-NPs with the size between ~20 and ~35 nm. The Ag NPs exhibited Surface Plasmon Resonance (SPR) centered at 405 nm for seed extract and 402 nm for fruit extract using a UV–visible spectrophotometer. FT-IR results showed phenolic and carbohydrate compounds involved in the synthesis of the Ag NPs. Furthermore, the synthesized Ag NPs has found highly rich in antibacterial properties against Escherichia coli and Pseudomonas aeruginosa bacterium. Thus, bioconversion of Ag NPs by M. charantia could be employed as a potential antibacterial source to eliminate pathogenic microorganisms from agricultural and food preservation industry. Momordica ; High-resolution transmission electron microscopy ; Silver nanoparticle ; Fourier transform infrared spectroscopy ; Nuclear chemistry ; Dynamic light scattering ; Surface plasmon resonance ; Antibacterial activity ; Nanoparticle ; Materials science ; Spectrophotometry ; Antimicrobial ; Chemistry ; Transmission electron microscopy ; Chromatography ; Nanotechnology ; Organic chemistry ; Chemical engineering ; Bacteria ; Biology ; Traditional medicine Nanoparticles: synthesis and applications ; Moringa oleifera research and applications ; Pineapple and bromelain studies
Authors: Mikkel S. Bødker | Collin J. Wilkinson | John C. Mauro | Morten M. Smedskjær
Source: SoftwareX (article, 2021-12-13)
Field: Materials Science — Ceramics and Composites

StatMechGlass: Python based software for composition–structure prediction in oxide glasses using statistical mechanics Knowledge of the distribution of short range-order structural units in oxide glasses is important for deciphering their composition–property relations. However, measurements of the fractions of such units are often difficult and time consuming, especially for multicomponent glasses. Here, we introduce StatMechGlass, a Python-based software for calculating the short range-order structure distribution in oxide glasses based on statistical mechanics. By accounting for the enthalpic and entropic contributions to the network interactions in glass-forming melts, the atomic-scale structures of the resulting glasses can be calculated. As input, the software requires accurate interaction enthalpy values that can be supplied by the user or obtained directly by the software from experimental structure data. StatMechGlass thus enables the prediction of composition–structure relations for any oxide glass composition. When coupled with existing composition–property databases of experimental data, it enables the construction of composition–structure–property databases and models. StatMechGlass is open source and designed in a modular fashion for easy tailoring for specific needs. Python (programming language) ; Computer science ; Software ; Oxide ; Modular design ; Extensibility ; Composition (language) ; Property (philosophy) ; Computational science ; Materials science ; Programming language Glass properties and applications ; Phase-change materials and chalcogenides ; Material Dynamics and Properties
Authors: José F. Reyes | Elías Contreras | Christian Correa Farías | Pedro Melín
Source: Journal of Agricultural Engineering (article, 2021-12-23)
Field: Chemistry — Analytical Chemistry

Image analysis of real-time classification of cherry fruit from colour features An image analysis algorithm for the classification of cherries in real time by processing their digitalized colour images was developed, and tested. A set of five digitalized images of colour pattern, corresponding to five colour classes defined for commercial cherries, was characterized. The algorithm performs the segmentation of the cheery image by rejecting the pixels of the background and keeping the image features corresponding to the coloured area of the fruit. A histogram analysis was carried out for the RGB and HSV colour spaces, where the Red and Hue components showed differences between each of the specified colour patterns of the exporting reference system. This information led to the development of a hybrid Bayesian classification algorithm based on the components R and H. Its accuracy was tested with a set of cherry samples within the colour range of interest. The algorithm was implemented by means of a real time C++ code in Microsoft Visual Studio environment. When testing, the algorithm showed a 100% effectiveness in classifying a sample set of cherries into the five standardized cherry classes. The components of the hardware-software system for implementing the methodology are low cost, thus ensuring an affordable commercial deployment. RGB color model ; Artificial intelligence ; HSL and HSV ; Pixel ; Set (abstract data type) ; Segmentation ; Histogram ; Mathematics ; Computer vision ; Hue ; Software ; Image processing ; Computer science ; Pattern recognition (psychology) ; Sample (material) ; Image (mathematics) Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: Tongbo Zhu | Zhiying Wang | Lynn M. McMullen | Tracy Raivio | David J. Simpson | Michael G. Gänzle
Source: Microorganisms (article, 2021-03-28)
Field: Chemistry — Physical and Theoretical Chemistry

Contribution of the Locus of Heat Resistance to Growth and Survival of Escherichia coli at Alkaline pH and at Alkaline pH in the Presence of Chlorine The locus of heat resistance (LHR) confers resistance to extreme heat, chlorine and oxidative stress in Escherichia coli. This study aimed to determine the function of the LHR in maintaining bacterial cell envelope homeostasis, the regulation of the genes comprising the LHR and the contribution of the LHR to alkaline pH response. The presence of the LHR did not affect the activity of the Cpx two-component regulatory system in E. coli, which was measured to quantify cell envelope stress. The LHR did not alter E. coli MG1655 growth rate in the range of pH 6.9 to 9.2. However, RT-qPCR results indicated that the expression of the LHR was elevated at pH 8.0 when CpxR was absent. The LHR did not improve survival of E. coli MG1655 at extreme alkaline pH (pH = 11.0 to 11.2) but improved survival at pH 11.0 in the presence of chlorine. Therefore, we conclude that the LHR confers resistance to extreme alkaline pH in the presence of oxidizing agents. Resistance to alkaline pH is regulated by an endogenous mechanism, including the Cpx envelope stress response, whereas the LHR confers resistance to extreme alkaline pH only in the presence of additional stress such as chlorine. Chlorine ; Escherichia coli ; Cell envelope ; Endogeny ; Oxidizing agent ; Oxidative stress ; Biology ; Chemistry ; Locus (genetics) ; Biochemistry ; Gene thermodynamics and calorimetric analyses ; Escherichia coli research studies ; Listeria monocytogenes in Food Safety
Authors: Junjie Li | Yunfeng Lou | Gaoyuan Yu | Tong Li | Xianlong Jin
Source: Complexity (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Effect of Bird Yaw/Pitch Angles on Soft Impact Damage of a Fan Assembly This paper presents a numerical investigation of bird attitude angles affecting the soft‐impact damage of a full fan assembly. Firstly, considering the geometry of a mallard, a real bird model is established by the Smoothed Particle Hydrodynamics (SPH) method and calibrated with available test data. Then, complying with airworthiness requirements, simulations of a full‐bladed fan assembly subjected to a real bird were conducted to determine the critical ingestion parameters (CIP). Furthermore, a real bird with different attitude angles aimed at a full fan assembly was simulated. Results show that attitude angles of the bird produce a significant impact on the effect of the bird strike on rotating blades and would increase the possibility of blade failures, especially for the yaw angle of ‐45° and the pitch angle of −60°. It is invaluable for commercial airlines and engine manufactures to provide safe flight and landing by adopting the real bird model with critical yaw and pitch angles in the design for resistance to bird ingestion. Aerospace engineering ; Physics ; Computer science ; Engineering High-Velocity Impact and Material Behavior ; Mechanics and Biomechanics Studies ; Cellular and Composite Structures
Authors: Jérémy Kottelat | Brian Freeland | Michal Dabros
Source: Processes (article, 2021-04-20)
Field: Chemistry — Physical and Theoretical Chemistry

Novel Strategy for the Calorimetry-Based Control of Fed-Batch Cultivations of Saccharomyces cerevisiae Typical controllers for fed-batch cultivations are based on the estimation and control of the specific growth rate in real time. Biocalorimetry allows one to measure a heat signal proportional to the substrate consumed by cells. The derivative of this heat signal is usually used to evaluate the specific growth rate, introducing noise to the resulting estimate. To avoid this, this study investigated a novel controller based directly on the heat signal. Time trajectories of the heat signal setpoint were modelled for different specific growth rates, and the controller was set to follow this dynamic setpoint. The developed controller successfully followed the setpoint during aerobic cultivations of Saccharomyces cerevisiae, preventing the Crabtree effect by maintaining low glucose concentrations. With this new method, fed-batch cultivations of S. cerevisiae could be reliably controlled at specific growth rates between 0.075 h−1 and 0.20 h−1, with average root mean square errors of 15 ± 3%. Setpoint ; Controller (irrigation) ; Control theory (sociology) ; SIGNAL (programming language) ; PID controller ; Saccharomyces cerevisiae ; Noise (video) ; Biological system ; Growth rate ; Computer science ; Temperature control ; Mathematics ; Chemistry ; Biochemistry ; Biology ; Engineering ; Control (management) ; Control engineering ; Artificial intelligence ; Yeast thermodynamics and calorimetric analyses ; Viral Infectious Diseases and Gene Expression in Insects ; Microbial Metabolic Engineering and Bioproduction
Authors: Petra Gutenbrunner | Pelagia Kyriakidou | Frido Welker | Jürgen Cox
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2021-09-06)
Field: Chemistry — Spectroscopy

Spectrum graph-based de-novo sequencing algorithm MaxNovo achieves high peptide identification rates in collisional dissociation MS/MS spectra Abstract We describe MaxNovo, a novel spectrum graph-based peptide de-novo sequencing algorithm integrated into the MaxQuant software. It identifies complete sequences of peptides as well as sequence tags that are incomplete at one or both of the peptide termini. MaxNovo searches for the highest-scoring path in a directed acyclic graph representing the MS/MS spectrum with peaks as nodes and edges as potential sequence constituents consisting of single amino acids or pairs. The raw score is a sum of node and edge weights, plus several reward scores, for instance, for complementary ions or protease compatibility. For search-engine identified peptides, it correlates well with the Andromeda search engine score. We use a particular score normalization and the score difference between the first and second-best solution to define a combined score that integrates all available information. To evaluate its performance, we use a human cell line dataset and take as ground truth all Andromeda-identified MS/MS spectra with an Andromeda score of at least 100. MaxNovo outperforms other software in particular in the high-sensitivity range of precision-coverage plots. We also identify incomplete sequence tags and study their statistical properties. Next, we apply MaxNovo to ion mobility-coupled time of flight data. Here we achieve excellent performance as well, except for potential swaps of the two amino acids closest to the C-terminus, which are not well resolved due to the low end of the mass range in MS/MS spectra in this dataset. We demonstrate the applicability of MaxNovo to palaeoproteomics samples with a Late Pleistocene hominin proteome dataset that was generated using three proteases. Interestingly, we did not use any machine learning in the construction of MaxNovo, but implemented expert domain knowledge directly in the definition of the score. Yet, it performs as good as or better than the leading deep learning-based algorithm. Graph ; Computer science ; Software ; Algorithm ; Chemistry ; Computational biology ; Bioinformatics ; Biology ; Theoretical computer science Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies ; Molecular Biology Techniques and Applications
Authors: Yuan Lü | Jie Pan | Xiaoqing Zhu | Shuai Zhang | Chunhua Liu | Jia Sun | Yueting Li | Siying Chen | Jing Huang | Chuang Cao | Yonglin Wang | Yongjun Li | Ting Liu
Source: BMC Pharmacology and Toxicology (article, 2021-09-06)
Field: Chemistry — Organic Chemistry

Pharmacokinetic herb-drug interactions between Aidi injection and doxorubicin in rats with diethylnitrosamine-induced hepatocellular carcinoma Increased levels of DOX and DOXol were found in the plasma of HCC rats pretreated with ADI. Hepatocellular carcinoma ; Pharmacokinetics ; Pharmacology ; Doxorubicin ; Drug ; Chemistry ; Medicine ; Internal medicine ; Chemotherapy Synthesis and biological activity ; Drug-Induced Hepatotoxicity and Protection ; Cancer therapeutics and mechanisms
Authors: Hana Sehadová | Radka Závodská | Lenka Rouhová | Michal Žurovec | Ivo Šauman
Source: International Journal of Molecular Sciences (article, 2021-12-16)
Field: Materials Science — Biomaterials

The Role of Filippi’s Glands in the Silk Moths Cocoon Construction Filippi's glands (FGs), formerly also called Lyonet's glands, are accessory secretory structures of the labial (silk) glands of lepidopteran caterpillars, which were implicated to play an important role in the maturation of the silk material and the construction of the cocoon. In our previous study, we have identified several species of giant silk moths that completely lack the FGs. Interestingly, the absence of FGs in these species correlates with the construction of a loose cocoon architecture. We investigated the functions of FGs by their surgical extirpation in the last instar larvae of the silkworm, <i>Bombyx mori.</i> We found that the absence of FGs altered the structure of the resulting cocoon, in which the different layers of silk were separated. In further experiments, we found no effects of the absence of FGs on larval cocoon formation behavior or on changes in cocoon mass or lipid content. Differential proteomic analysis revealed no significant contribution of structural proteins from FGs to silk cocoon material, but we identified several low abundance proteins that may play a role in posttranslational modifications of some silk proteins. Proteomic analysis also revealed a difference in phosphorylation of the N-terminal sequence of fibroin-heavy chain molecule. Thus, FGs appear to affect silk stickiness during spinning by regulating posttranslational modifications. This could also explain the link that exists between the absence of these glands and the formation of loose cocoons in some giant silk moth species. SILK ; Fibroin ; Bombyx mori ; Biology ; Sericin ; Insect ; Cell biology ; Larva ; Ecology ; Biochemistry ; Gene ; Materials science Silk-based biomaterials and applications ; Insect and Arachnid Ecology and Behavior ; Silkworms and Sericulture Research
Authors: Prateek Sharma | Stefan Diebels
Source: Continuum Mechanics and Thermodynamics (article, 2021-05-12)
Field: Materials Science — Polymers and Plastics

A mixture theory for the moisture transport in polyamide Abstract Polyamide exhibits hygroscopic nature and can absorb up to 10% of moisture relative to its dry weight. The absorbed moisture increases the mobility of the molecular chains and causes a reduction in the glass transition temperature. Thus, depending on the moisture distribution, a polyamide component can show different stiffness and relaxation times. Moreover, the moisture distribution also depends on the mechanical loading of the material as the volumetric deformation results in a change of the available free volume for the moisture. Thus, a strongly coupled model is required to describe the material behaviour. In this work, a thermodynamically consistent coupled model within the framework of mixture theory is developed. The mechanical deformation of polyamide 6 (PA6) is based on a linear viscoelastic material model, and the moisture transport is based on a nonlinear diffusion model. The stiffness and the relaxation time of the viscoelastic model change with the moisture concentration. Furthermore, the moisture transport is affected by the pressure gradient generated by the mechanical loading of the material. This strongly coupled model has been implemented using the finite element method, and simulation results are presented for a three-point bending experiment. Moisture ; Materials science ; Viscoelasticity ; Polyamide ; Composite material ; Relaxation (psychology) ; Stiffness ; Diffusion ; Deformation (meteorology) ; Work (physics) ; Volume (thermodynamics) ; Mechanics ; Thermodynamics ; Physics Polymer crystallization and properties ; Elasticity and Material Modeling ; Mechanical Behavior of Composites
Authors: Esat Pehlivan | Claes G. Granqvist | Gunnar A. Niklasson
Source: Electronic Materials (article, 2021-07-27)
Field: Materials Science — Polymers and Plastics

Impedance Spectroscopy of Electrochromic Hydrous Tungsten Oxide Films Tungsten oxide is a widely used electrochromic material with important applications in variable-transmittance smart windows as well as in other optoelectronic devices. Here we report on electrochemical impedance spectroscopy applied to hydrous electrochromic tungsten oxide films in a wide range of applied potentials. The films were able to reversibly bleach and color upon electrochemical cycling. Interestingly, the bleaching potential was found to be significantly higher than in conventional non-hydrous tungsten oxide films. Impedance spectra at low potentials showed good agreement with anomalous diffusion models for ion transport in the films. At high potentials, where little ion intercalation takes place, it seems that parasitic side reactions influence the spectra. The potential dependence of the chemical capacitance, as well as the ion diffusion coefficient, were analyzed. The chemical capacitance is discussed in terms of the electron density of states in the films and evidence was found for a band tail extending below the conduction band edge. Electrochromism ; Materials science ; Dielectric spectroscopy ; Electrochromic devices ; Tungsten ; Oxide ; Capacitance ; Tungsten trioxide ; Diffusion ; Analytical Chemistry (journal) ; Optoelectronics ; Electrochemistry ; Chemistry ; Electrode ; Physical chemistry ; Metallurgy Transition Metal Oxide Nanomaterials ; Gas Sensing Nanomaterials and Sensors ; Conducting polymers and applications
Authors: Samir Kumar | Taneichi Taiga | Takao Fukuoka | Kyoko Namura | Motofumi Suzuki
Source: Cellulose (article, 2021-10-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Study on transport of molecules in gel by surface-enhanced Raman spectroscopy Biomolecule ; Molecule ; Diffusion ; Raman spectroscopy ; Materials science ; Molecular diffusion ; Surface-enhanced Raman spectroscopy ; Analytical Chemistry (journal) ; Nanotechnology ; Thermal diffusivity ; Chemical physics ; Chemistry ; Raman scattering ; Chromatography ; Organic chemistry ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection