jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aref Doozandeh Juibari | Sina Ramezani | Mohammad Hosein Rezadoust
Source: Journal of Medicine and Life (article, 2019-04-01)
Field: Chemistry — Spectroscopy

Bioinformatics analysis of various signal peptides for periplasmic expression of parathyroid hormone in E.coli Hypoparathyroidism is a rare endocrine disease which is characterized by the deficiency of serum calcium levels. RhPTH is prescribed as a therapy for the management of refractory hypoparathyroidism. The aim of this study is to investigate 32 signal peptides of gram-negative bacterial origin and evaluate their potential for efficient secretion of recombinant human PTH (1-84)In E.coli to obtain higher expression of recombinant PTH in bacterial systems by using this fusion partner. SignalP and ProtParam servers were employed to predict the presence and location of signal peptide cleavage sites in protein sequence and computation of various physical and chemical parameters of protein respectively. Also, SOLpro server was applied for prediction of the protein solubility. Then ProtComp and SecretomeP online servers were employed to determine protein location. The evaluations showed that theoretically two signal peptides Lipopolysaccharide export system protein LptA (lptA) and Periplasmic pH-dependent serine endoprotease DegQ (degQ) are the most appropriate signal peptides examined. Due to the lack of post-translational modification in PTH, its periplasmic expression has preferences. Based on the results of this study, using bioinformatics and reliable servers signal peptides with appropriate secretory potential can be obtained which lead to the highest expression level. Signal peptide ; Periplasmic space ; Parathyroid hormone ; Biochemistry ; Recombinant DNA ; Biology ; Chemistry ; Escherichia coli ; Calcium ; Gene Advanced Proteomics Techniques and Applications ; Digestive system and related health ; Thyroid and Parathyroid Surgery
Authors: Min Zhu | Ping Chen | Xinjun Hu | Xiang Mao | Jianping Tian | Huibo Luo | Dan Huang
Source: Food Science & Nutrition (article, 2019-11-27)
Field: Chemistry — Analytical Chemistry

Rapid determination of pit mud moisture content using hyperspectral imaging Lack of moisture can lead to the aging of pit mud, excessive moisture will make it difficult to maintain its shape or even collapse. Therefore, a rapid and nondestructive detection technology for moisture in pit mud using hyperspectral imaging was firstly investigated. Modeling efficiency of various processing was compared in visible (400-1,000 nm) and near-infrared (900-1,700 nm) regions, and the optimal model was SNV-SPA-SVM in near-infrared spectroscopy; the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msubsup><mml:mi>R</mml:mi> <mml:mtext>pre</mml:mtext> <mml:mn>2</mml:mn></mml:msubsup> </mml:math> and RMSEP of model were .9953 and 0.0029, respectively. Furthermore, the distribution map showed that the moisture in the new cellar was generally lower than that of old, and the moisture distribution of the old pit mud was more even. Moreover, the moisture content of different layers in the same cellar increased from top to bottom. This work provides strong technical support for liquor brewing enterprises to effectively implement online monitoring of pit mud changes and open a new era for the application of hyperspectral imaging technology in the field of liquor solid-state fermentation. Hyperspectral imaging ; Moisture ; Water content ; Environmental science ; Near-infrared spectroscopy ; Brewing ; Soil science ; Materials science ; Pulp and paper industry ; Remote sensing ; Fermentation ; Geology ; Geotechnical engineering ; Chemistry ; Engineering ; Composite material ; Optics Spectroscopy and Chemometric Analyses ; Fermentation and Sensory Analysis ; Advanced Chemical Sensor Technologies
Authors: Sami Jebali | Chaouki Belgacem | Mohamed R. Louhaichi | Senda Bahri | Latifa Latrous
Source: International Journal of Analytical Chemistry (article, 2019-08-15)
Field: Chemistry — Analytical Chemistry

Application of Factorial and Doehlert Designs for the Optimization of the Simultaneous Separation and Determination of Antimigraine Drugs in Pharmaceutical Formulations by RP-HPLC-UV A sensitive, precise, accurate, and specific isocratic reversed-phase high-performance liquid chromatographic (RP-HPLC) method for the simultaneous separation and determination of zolmitriptan, naratriptan, dihydroergotamine, ketotifen, and pizotifen in pharmaceutical formulations has been developed and validated. An experimental design was applied for the optimization of the chromatographic parameters. A two-level full factorial 2 <sup><i>k</i></sup> was used for studying the interaction between the variables to be optimized: the percentage of acetonitrile in the mobile phase, mobile-phase pH, nature of the buffer, and column oven temperature. The most significant parameters are the percentage of acetonitrile and the mobile-phase pH. These significant parameters were optimized using the Doehlert matrix. The optimum separation was achieved by means of a Waters XBridge C18 column (250 mm × 4.6 mm, 5 <i>μ</i>m) with a mobile phase consisting of acetonitrile and a 10 mM sodium perchlorate buffer (38 : 62, v/v) at a flow rate of 1.0 mL·min<sup>-1</sup> and UV detection at 220 nm. The selectivity, method linearity, accuracy, and precision were examined as part of the method validation. The described method shows excellent linearity over a range of 30 to 70 <i>μ</i>g·mL<sup>-1</sup> for all compounds with correlation coefficients higher than 0.995. The standard deviations of the intraday and interday precision were between 0.75 and 1.94%. The validated method was successfully applied to perform routine analysis of these compounds in different pharmaceutical products such as syrups and tablets. In the presence of some preservatives, it was found that there were no peaks at the related peak locations. Propylparaben ; Chromatography ; Factorial experiment ; Fractional factorial design ; Acetonitrile ; Pharmaceutical formulation ; Chemistry ; High-performance liquid chromatography ; Dosage form ; IVIVC ; Theoretical plate ; Analytical Chemistry (journal) ; Mathematics ; Methylparaben ; Preservative ; Solubility Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies
Authors: Joanna Lange | Coos Baakman | Arthur M. A. Pistorius | Elmar Krieger | Rob Hooft | Robbie P. Joosten | Gert Vriend
Source: Protein Science (article, 2019-11-14)
Field: Materials Science — Materials Chemistry

Facilities that make the PDB data collection more powerful We describe a series of databases and tools that directly or indirectly support biomedical research on macromolecules, with focus on their applicability in protein structure bioinformatics research. DSSP, that determines secondary structures of proteins, has been updated to work well with extremely large structures in multiple formats. The PDBREPORT database that lists anomalies in protein structures has been remade to remove many small problems. These reports are now available as PDF-formatted files with a computer-readable summary. The VASE software has been added to analyze and visualize HSSP multiple sequence alignments for protein structures. The Lists collection of databases has been extended with a series of databases, most noticeably with a database that gives each protein structure a grade for usefulness in protein structure bioinformatics projects. The PDB-REDO collection of reanalyzed and re-refined protein structures that were solved by X-ray crystallography has been improved by dealing better with sugar residues and with hydrogen bonds, and adding many missing surface loops. All academic software underlying these protein structure bioinformatics applications and databases are now publicly accessible, either directly from the authors or from the GitHub software repository. Protein Data Bank (RCSB PDB) ; Computer science ; Software ; Protein structure database ; Protein Data Bank ; Database ; Structural Classification of Proteins database ; Structural bioinformatics ; Protein structure ; Bioinformatics ; Protein structure prediction ; Information retrieval ; Data mining ; Sequence database ; Biology ; Programming language ; Biochemistry Enzyme Structure and Function ; Protein Structure and Dynamics ; Glycosylation and Glycoproteins Research
Authors: Maurizio Albano | A. Haddad | Nathan Bungay
Source: Energies (article, 2019-09-21)
Field: Materials Science — Materials Chemistry

Is the Dry-Band Characteristic a Function of Pollution and Insulator Design? This paper assesses the dry-band formation and location during artificial pollution tests performed on a 4-shed 11kV insulator with conventional and textured surface designs in a clean-fog chamber and with the application of a voltage ramp-shape source. The different designs present the same overall geometrical dimensions, but the textured ones are characterized by the application of a patented insulator surface design. Three pollution levels, extremely high, high and moderate, were considered. A newly developed MATLAB procedure is able to automatically recognize the perimeter of the insulator, the trunk and shed areas on infra-red recordings. In addition, using the vertical axis identification, all trunks are subdivided into zones and into left and right areas, significantly increasing the capability of abnormalities detection. Any temperature increase within these areas enables to detect the appearance and the extension of dry bands. The results of the analysis of the statistical location and extension development over time of the dry bands during these set of comparative tests show a clear distinction between designs and pollution levels. These results may offer interesting design guidelines for dry-band control. Insulator (electricity) ; Pollution ; Environmental science ; Remote sensing ; Computer science ; Simulation ; Engineering ; Geology ; Electrical engineering High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Aerosol Filtration and Electrostatic Precipitation
Authors: Shuangyin Zhang | Ying Zhu | Mi Wang | Teng Fei
Source: Sensors (article, 2019-09-09)
Field: Chemistry — Analytical Chemistry

Selection of the Optimal Spectral Resolution for the Cadmium-Lead Cross Contamination Diagnosing Based on the Hyperspectral Reflectance of Rice Canopy This paper proposed an optimal spectral resolution for diagnosing cadmium-lead (Cd-Pb) cross contamination with different pollution levels based on the hyperspectral reflectance of rice canopy. Feature bands were sequentially selected by two-way analysis of variance (ANOVA2) and random forests from the high-dimensional hyperspectral data after preprocessing. Then Support Vector Machine (SVM) was applied to diagnose the pollution levels using different feature bands combination with different spectral resolutions and cross validation was conducted to evaluate the distinguishing accuracies. Finally, the optimal spectral resolution could be determined by comparing the diagnosing accuracies of the optimal feature bands combination in each spectral resolution. In the experiments, the hyperspectral reflectance data of rice canopy with ten different spectral resolutions was captured, covering 16 pretreatments of Cd and Pb pollution. The experimental results showed the optimal spectral resolution was 9 nm with the highest average accuracy of 0.71 and relatively standard deviation of 0.07 for diagnosing the categories and levels of Cd-Pb cross contamination. The useful exploration provided an evidence for optimal spectral resolution selection to reduce the cost of heavy metal pollution diagnose. Hyperspectral imaging ; Spectral resolution ; Remote sensing ; Support vector machine ; Feature selection ; Environmental science ; Contamination ; Canopy ; Pollution ; Feature (linguistics) ; Spectral signature ; Computer science ; Artificial intelligence ; Spectral line ; Geology ; Geography ; Physics Spectroscopy and Chemometric Analyses ; Remote-Sensing Image Classification ; Geochemistry and Geologic Mapping
Authors: Sachin S. Sapatnekar
Source:  (article, 2019-04-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electromigration-Aware Interconnect Design Electromigration (EM) is seen as a growing problem in recent and upcoming technology nodes, and affects a wider variety of wires (e.g., power grid, clock/signal nets), circuits (e.g., digital, analog, mixed-signal), and systems (e.g., mobile, server, automotive), touching lower levels of metal than before. Moreover, unlike traditional EM checks that were performed on each wire individually, EM checks must evolve to consider the system-level impact of wire failure. This requires a change in how interconnect design incor- porates this effect. This paper overviews the root causes of EM, its impact on high-performance designs, and techniques for analyzing, working around, and alleviating the effects of EM. Electromigration ; Interconnection ; Computer science ; Grid ; Electronic engineering ; Power grid ; SIGNAL (programming language) ; Power (physics) ; Root cause ; Electronic circuit ; Electrical engineering ; Embedded system ; Reliability engineering ; Engineering ; Telecommunications Copper Interconnects and Reliability ; Electronic Packaging and Soldering Technologies ; Semiconductor materials and devices
Authors: Qian Gong | Joel A. Greenberg | Razvan-Ionut Stoian | David Coccarelli | Esteban Vera | Michael E. Gehm
Source: Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms (article, 2019-05-07)
Field: Materials Science — Materials Chemistry

Rapid simulation of X-ray scatter measurements for threat detection via GPU-based ray-tracing Ray tracing (physics) ; Monte Carlo method ; Computer science ; Detector ; Computational science ; SIGNAL (programming language) ; Algorithm ; Ranging ; Scattering ; Polygon mesh ; Optics ; Physics ; Computer graphics (images) Radiation Shielding Materials Analysis ; Digital Radiography and Breast Imaging ; Advanced X-ray and CT Imaging
Authors: Xiaohui Gao | Yongguang Liu
Source: IEEE Access (article, 2019-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Research on Control Strategy in Giant Magnetostrictive Actuator Based on Lyapunov Stability The output characteristics of giant magnetostrictive actuator (GMA) are affected by many nonlinear factors, such as hysteresis, load, driving frequency and so on, which would lead to lower positioning precision, poorer repeatability, and even fall into nonlinear instability especially in complex dynamic environment. First, the accurate dynamic mathematical model for GMA is established after analyzing its working principle. Then, the inverse model feed-forward compensation fuzzy PD control based on Lyapunov stability is put forward and applied into the GMA control system. The experiment results indicate that Lyapunov direct method that is integrated into inverse model feed-forward compensation fuzzy PD controller can effectively improve the dynamic output features especially in the complex dynamic environment, reduce the root mean square error from 1.275 to 0.332 and maximum error rate from 26.89% to 7.12%, which not only greatly improve performance and expand the application domain of GMA, but also have very important theoretical significance and high application value in modeling and control approach for some hysteresis systems. Control theory (sociology) ; Lyapunov stability ; Controller (irrigation) ; Nonlinear system ; Computer science ; Lyapunov function ; Actuator ; Hysteresis ; Compensation (psychology) ; Fuzzy control system ; Fuzzy logic ; Frequency domain ; Control (management) ; Physics Magnetic Properties and Applications ; Piezoelectric Actuators and Control ; Electric Motor Design and Analysis
Authors: Chao Guo | Yi Niu
Source: ACS Biomaterials Science & Engineering (article, 2019-03-06)
Field: Materials Science — Biomaterials

Cellular Automaton Simulation for Degradation of Poly Lactic Acid with Acceleratable Reaction-Diffusion Model Biodegradability is a fundamental property of poly lactic acid (PLA). Numerous simulation algorithms based on reaction-diffusion model have been utilized to analyze the degradation behaviors of PLA. In the present work, a cellular automaton (CA) algorithm combined with an acceleratable reaction-diffusion model and coarse-grained kinetic Monte Carlo method is applied to simulate the degradation behaviors of PLA, such as random or end scission and crystallization of PLA chains, diffusion of soluble oligomers. The CA algorithm can reveal the global changes of molecular weight, mass, reaction number and soluble oligomer number generated by hydrolysis as well as the local distributions of molecular weight, soluble oligomer number and cellular state. The calculation result of experiment demonstrates that such a CA model can accurately simulate the change of molecular weight and mass loss simultaneously. The effects of hydrolysis mode, reaction rate constant, diffusion coefficient, device size and pore structure on the degradation behaviors of PLA especially the change in the molecular weight and the famous autocatalysis effect are comprehensively investigated. A novel classification method of molecular weight change curve is presented and the effects of various factors are concluded. In general, big reaction rate constant, small diffusion coefficient, big device size, solid or low porosity, and no or few initial soluble oligomers can more easily generate a type I curve, which corresponds to a strong autocatalysis hydrolysis. Autocatalysis ; Oligomer ; Diffusion ; Materials science ; Reaction rate constant ; Degradation (telecommunications) ; Reaction rate ; Weight change ; Lactic acid ; Chemical engineering ; Chemistry ; Polymer chemistry ; Thermodynamics ; Kinetics ; Organic chemistry ; Computer science ; Physics biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization ; Bone Tissue Engineering Materials
Authors: Arvind Parashar | Shalini Sikarwar | Rajeev Jain
Source: Journal of Dispersion Science and Technology (article, 2019-05-17)
Field: Chemistry — Organic Chemistry

Removal of drug oxcarbazepine from wastewater at 3D porous NiFe<sub>2</sub>O<sub>4</sub> nanoparticles The adsorption behavior of an anticonvulsant drug oxcarbazepine from aqueous solution onto 3D porous NiFe2O4 was studied at 30, 40, and 50 °C. The optimum conditions for the adsorption of the drug oxycarbazepine have been found as 0.144 mg/mL drug concentration, pH 2.5, and 6 mg 3D porous NiFe2O4 adsorbent dose. The estimated values for ΔG° were −5.10 × 103 onto 3D porous NiFe2O4 adsorbent dose at 203 K (30 °C), indicate toward a feasible and spontaneous process. Adsorption isotherms were interpreted from various isotherm models like Langmuir, Freundlich, Dubinin–Radushkevich and Tempkin and their characteristic parameters were evaluated and compared. The adsorption energy, E and adsorption capacity (Q0) for adsorption on 3D porous NiFe2O4 were estimated using Dubinin-Radushkevich (DR) equation. The mass transfer property of the sorption process was studied using series of rate equations like pseudo first-order, pseudo second-order rate equation, Intra-particle diffusion and Liquid film diffusion model. The adsorption performance was investigated thermodynamically under batch equilibrium conditions at 303, 313 and 323 K. The optimum temperature of adsorption is 303 K. Oxcarbazepine ; Wastewater ; Nanoparticle ; Porosity ; Chemical engineering ; Drug ; Chemistry ; Materials science ; Nuclear chemistry ; Nanotechnology ; Environmental science ; Organic chemistry ; Pharmacology ; Carbamazepine ; Medicine ; Environmental engineering ; Engineering Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Advanced Photocatalysis Techniques
Authors: Li Deng | Xingwen Feng | Guang‐Kun Ren | Jingchuan Wang | Junhong Luo | Jiangfeng Song
Source: Fusion Engineering and Design (article, 2019-07-30)
Field: Materials Science — Materials Chemistry

Effects of structural and concentration polarization on the efficiency of Pd membrane permeator Hydrogen ; Materials science ; Permeation ; Membrane ; Concentration polarization ; Membrane reactor ; Extraction (chemistry) ; Computational fluid dynamics ; Polarization (electrochemistry) ; Fusion power ; Diffusion ; Chemical engineering ; Nuclear engineering ; Analytical Chemistry (journal) ; Plasma ; Chromatography ; Thermodynamics ; Chemistry ; Nuclear physics Fusion materials and technologies ; Muon and positron interactions and applications ; Superconducting Materials and Applications
Authors: Mohammad Dinari | Mohammad Hassan Maleki | Rouhollah Bagheri
Source: Polymer International (article, 2019-06-05)
Field: Materials Science — Materials Chemistry

Synthesis and characterization of new nitrogen‐ and oxygen‐rich cyclohexanone–formaldehyde resin for fast Cd(II) adsorption in aqueous solution Abstract A new structure of cyclohexanone–formaldehyde resin (CFR) was synthesized via in situ condensation reaction of 2,4,6‐tris( p ‐formylphenoxy)‐1,3,5‐triazine (TFPA) with CFR. TFPA was prepared by the reaction of cyanuric chloride and p ‐hydroxybenzaldehyde and its structure was confirmed using spectroscopic methods and elemental analysis. The structural, thermal and morphological properties of the nitrogen‐ and oxygen‐rich CFR were studied using Fourier transform infrared spectroscopy, X‐ray diffraction, thermogravimetric analysis and field emission scanning electron microscopy. After characterization, the resin was used as an adsorbent for Cd(II) due to the high level of nitrogen and oxygen in its structure. The effects of various parameters such as pH, concentration and time on the adsorption process were studied. The maximum adsorption capacity of cadmium at pH 8 in 5 min was 83.61 mg L −1 . The adsorption isotherm was applied to the Langmuir, Freundlich, Temkin and Dubinin–Radushkevich models. Comparing the correlation coefficient ( R 2 ), the Langmuir model was fitted well. Pseudo‐first‐order, pseudo‐second‐order, Elivich and intra‐particle diffusion models of adsorption kinetics were explored. The pseudo‐second‐order model can better explain the adsorption kinetics that shows adsorption being dependent on the number of active sites of the adsorbent. © 2019 Society of Chemical Industry Thermogravimetric analysis ; Adsorption ; Freundlich equation ; Aqueous solution ; Chemistry ; Langmuir adsorption model ; Cyclohexanone ; Langmuir ; Nuclear chemistry ; Inorganic chemistry ; Organic chemistry ; Catalysis Covalent Organic Framework Applications ; Synthesis and Characterization of Heterocyclic Compounds ; Adsorption and biosorption for pollutant removal
Authors: Amira M. Ghoneim | Mina Ibrahim Tadros | Ahmed Adel Alaa-Eldin
Source: International Journal of Nanomedicine (article, 2019-12-01)
Field: Materials Science — Materials Chemistry

&lt;p&gt;Spray-Dried Silica Xerogel Nanoparticles as a Promising Gastroretentive Carrier System for the Management of Chemotherapy-Induced Nausea and Vomiting&lt;/p&gt; The prolongation in the mean residence time (MRT<sub>(0-∞)</sub>) and the promotion of the relative oral bioavailabilities of both drugs could unravel the potential of this system for the management of chemotherapy-induced nausea and vomiting. Tetraethyl orthosilicate ; Materials science ; Zeta potential ; Nanoparticle ; Particle size ; Wetting ; Chemical engineering ; Nuclear chemistry ; Chromatography ; Nanotechnology ; Chemistry ; Composite material Layered Double Hydroxides Synthesis and Applications ; Nausea and vomiting management ; Oral health in cancer treatment