jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pavel Hrnčiřı́k | T. Moucha | Jan Mareš | J. Náhlík | Dagmar Janáčová
Source: Chemical and Biochemical Engineering Quarterly (article, 2019-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Software Sensors for Biomass Concentration Estimation in Filamentous Microorganism Cultivation Process In this study, the potential of two software sensors for on-line estimation of biomass concentration during cultivation of filamentous microorganisms is examined. The first sensor is based on common bioreactor off-gas analyses, and uses the assumption of the biomass concentration linear dependence on the square root of cumulative O2 consumption. Parameters of the semi-empirical data-driven software sensor based on off-gas analysis were calculated from experimental cultivation data using linear regression. The second sensor is based on biocalorimetry, i.e., the on-line calculation of metabolic heat flux from general enthalpy balance of the bioreactor. The software sensor based on biocalorimetry thus essentially represents a model-driven approach, making use of a fundamental process model based on the enthalpy balance around the bioreactor. This approach has been combined with the experimental identification of the specific biomass heat production, which represents the main process-specific parameter of the software sensor based on biocalorimetry. For this sensor, the accuracy requirements on the process variable on-line measurements were also analysed. The experimental data from the pilot-scale antibiotics Nystatin production by a bacterium Streptomyces noursei were used to calculate the specific bioprocess heat production value using linear regression. The achieved results enabled us to propose a new on-line indicator calculated as the ratio of the outputs of both sensors, which can serve as a timely warning of the risk of undesired nutritional conditions of a culture characterized as underfeeding. Bioreactor ; Biomass (ecology) ; Bioprocess ; Process engineering ; Biological system ; Linear regression ; Software ; Environmental science ; Biochemical engineering ; Computer science ; Biotechnology ; Engineering ; Mathematics ; Chemistry ; Statistics ; Ecology ; Biology thermodynamics and calorimetric analyses ; Viral Infectious Diseases and Gene Expression in Insects ; Fault Detection and Control Systems
Authors: ‎L‎. ‎N‎. ‎M‎. Tawfiq | Mohammed Abdulabbas Hasan
Source: Ibn AL- Haitham Journal For Pure and Applied Science (article, 2019-01-20)
Field: Materials Science — Materials Chemistry

Evaluate the Rate of Pollution in Soil using Simulink Environment In this paper we design a Simulink model which can be evaluate the concentration of Copper, Lead, Zinc, Cadmium, Cobalt, Nickel, Crum and Iron. So, this model would be a method to determine the contamination levels of these metals with the potential for this contamination sources with their impact. The aim of using Simulink environment is to solve differential equations individually and as given data in parallel with analytical mathematics trends. In general, mathematical models of the spread heavy metals in soil are modeled and solve to predict the behavior of the system under different conditions. Contamination ; Cadmium ; Pollution ; Environmental science ; Zinc ; Cobalt ; Soil contamination ; Copper ; Heavy metals ; Nickel ; Environmental engineering ; Environmental chemistry ; Computer science ; Chemistry ; Soil science ; Metallurgy ; Soil water ; Materials science Magnesium Oxide Properties and Applications ; Concrete and Cement Materials Research
Authors: Siti Nurulasilah Suhaimi | Siti Mariyam Shamsuddin | Wan Azlina Ahmad | Shafaatunnur Hasan | Chidambaram Kulandaisamy Venil
Source: Jurnal Teknologi (article, 2019-01-22)
Field: Chemistry — Analytical Chemistry

COMPARISON OF PARTICLE SWARM OPTIMIZATION AND RESPONSE SURFACE METHODOLOGY IN FERMENTATION MEDIA OPTIMIZATION OF FLEXIRUBIN PRODUCTION At present, response surface methodology (RSM) is the most preferred method for fermentation media optimization. However, in the last two decades, artificial intelligence algorithm has become one of the most efficient methods for empirical modelling and optimization. One of the popular developed approaches is Particle Swarm Optimization (PSO), which is used in optimizing a problem. This paper focuses on comparative studies between RSM and PSO in fermentation media optimization for the production of flexirubin production using Chryseobacterium artocarpi CECT 8497T. Two methodologies were compared for in terms of their modeling, sensitivity analysis, and optimization abilities. All experiments were performed accordingly to box-behnken design (BBD), and the generated data was analyzed using RSM and PSO. The sensitivity analysis performed by both methods has given comparative results. Based on the correlation coefficient, the model developed with PSO was found to be superior to the model developed with RSM. The result shows that PSO gives a better pigmentation yield with optimal fermentation concentration. Response surface methodology ; Particle swarm optimization ; Computer science ; Fermentation ; Production (economics) ; Sensitivity (control systems) ; Mathematical optimization ; Biochemical engineering ; Mathematics ; Engineering ; Machine learning ; Food science ; Biology Chromatography in Natural Products ; Microbial Metabolism and Applications ; Microbial Natural Products and Biosynthesis
Authors: Shasha Li | Zhou Wang
Source: Journal of Nanoscience and Nanotechnology (article, 2019-10-22)
Field: Materials Science — Materials Chemistry

Adsorption Performance of Reactive Red 2BF onto Magnetic NiFe<sub>2</sub>O<sub>4</sub> Nanoparticles Prepared via the Coprecipitation Process Magnetic NiFe₂O₄ nanoparticles were successfully prepared via the coprecipitation process with ferric nitrate, nickel nitrate, and sodium hydroxide as raw materials, and they were characterized by the scanning electron microscopy (SEM), the transmission electron microscope (TEM), the X-ray diffraction (XRD), the vibrating sample magnetometer (VSM), the energy dispersive spectroscopy (EDS) and the Brunauer-Emmett-Teller (BET). The magnetic NiFe₂O₄ nanoparticles were employed to research the adsorption performance of reactive red 2BF (RR-2BF) onto them, and they revealed very large adsorption capacity of RR-2BF. The adsorption kinetics data were evaluated with the pseudo first-order, the pseudo second-order and the intraparticle diffusion models, and the results showed that the pseudo second-order kinetics model was best fitted for the adsorption of RR-2BF onto magnetic NiFe₂O₄ nanoparticles. While, the adsorption isotherm experiments were carried out at room temperature, and the experimental data conformed to the Langmuir model, which suggested that the adsorption of RR-2BF onto magnetic NiFe₂O₄ nanoparticles was the monolayer adsorption process. The magnetic NiFe₂O₄ nanoparticles revealed good reusability, and the adsorption capacity was maintained over 80% of the initial capacity after being used for five cycles. Coprecipitation ; Adsorption ; Materials science ; Scanning electron microscope ; Nanoparticle ; Langmuir adsorption model ; Magnetic nanoparticles ; Analytical Chemistry (journal) ; Chemical engineering ; Nuclear chemistry ; Nanotechnology ; Chromatography ; Composite material ; Chemistry ; Physical chemistry Magnetic Properties and Synthesis of Ferrites ; Nanomaterials for catalytic reactions ; Bauxite Residue and Utilization
Authors: Huayao Chen | Xuemin Chen | Hongjun Zhou | Xinhua Zhou | Hua Xu
Source: Materials Science (article, 2019-01-31)
Field: Materials Science — Materials Chemistry

Synthesis, Characterization of Metal-Schiff Base Functionalized Mesoporous Silica for Pesticide Adsorption The mesoporous silica modified by salicylaldimine was prepared through a co-condensation method. Through the bridge effect from metal ion (copper ion, zinc ion, manganese ion), the model drug-avermectin was supported on the metal-Schiff base functionalized mesoporous silica (M-MCM-41) to form a highly efficient adsorbents for pesticidedelivery and removal. The experimental results showed that the sequence in adsorption capacity (AC) for avermectin (AVM) of various mesoporous silica in different adsorption time was Zn-MCM-41 &gt; Cu-MCM-41 &gt; Mn-MCM-41 &gt; MCM-41 &gt; SA-MCM-41. The AC of Zn-MCM-41 was 151 mg/g, while the MCM-41 was 78 mg/g which increased nearly 100 % after modification due to its strongest coordination ability. The FT-IR and XPS results confirmed the existence of coordination bond between SA-MCM-41 and metal ions as well as the coordination bond between M-MCM-41 and avermectin. The kinetic data and the equilibrium isotherms are modeled by three kinetic models, the pseudo-first-order, the pseudo-second-order and intraparticle diffusion, and two isotherm models, Langmuir and Freundlich, respectively. The kinetic mechanism of the adoption changed from physical adsorption to the intraparticle diffusion due to the stronger interaction between avermectin and the mesoporous silica through coordination. Adsorption isotherm of the samples were well-represented by Freundlich model which indicated that the adsorption was reversible. Adsorption ; Freundlich equation ; Langmuir ; Mesoporous silica ; Mesoporous material ; MCM-41 ; Chemistry ; Metal ions in aqueous solution ; Inorganic chemistry ; Nuclear chemistry ; Metal ; Organic chemistry ; Molecular sieve ; Catalysis Mesoporous Materials and Catalysis ; Polymer-Based Agricultural Enhancements ; Nanoparticle-Based Drug Delivery
Authors: Farid I. El‐Dossoki | Sara K. Rady | Nasser Mohammed Hosny
Source: Alfarama Journal of Basic & Applied Sciences (article, 2019-12-10)
Field: Chemistry — Organic Chemistry

Synthesis of Co3O4 nanoparticles from amino acids mixed ligands and its adsorption properties The metal precursor derived from the reaction of Co(II) acetate with the mixed ligands of lysine(Lys) and glutamine(Glu) was used to synthesize Co3O4 nanoparticles. The precursor was characterized by (C, H, N, M), IR, electronic spectra, TGA and effective magnetic moments. Co3O4 nanoparticles were prepared from calcinations of the synthesized precursor at 800 oC. The obtained nanoparticles were characterized by X-ray powder diffraction and transmittance electron microscope. The average particle size is 50 nm. Co3O4 nanoparticles. Adsorption of Methylene Blue on the surface of the Co3O4 was studied. The synthesized metal oxide has 27.2 (mg/g) adsorption capacity of methylene blue (MB) from aquoues solution and removed 95 % of it. This method can be used to remove dyes from wastewater. Langmuir isotherm was the best model represent the adsorption of MB. Pseudo-second-order model with determination coefficient (R2) close to the unity was the best model for adsorption kinetic of MB. Adsorption ; Nanoparticle ; Methylene blue ; Langmuir adsorption model ; Chemistry ; Nuclear chemistry ; Particle size ; Inorganic chemistry ; Thermogravimetric analysis ; Oxide ; Powder diffraction ; Metal ; Materials science ; Organic chemistry ; Physical chemistry ; Crystallography ; Nanotechnology ; Catalysis Nanomaterials for catalytic reactions
Authors: Tommaso Casalini | Mònica Bassas-Galià | H. Girard | A. Castrovinci | Alessandro De Carolis | Stefano Brianza | Manfred Zinn | Giuseppe Perale
Source: Applied Sciences (article, 2019-08-18)
Field: Materials Science — Biomaterials

A Systematic Experimental and Computational Analysis of Commercially Available Aliphatic Polyesters Aliphatic polyesters, such as polylactic acid (PLA), polyglycolic acid (PGA), and their copolymer polylactic-co-glycolic acid (PLGA) have become an established choice in the biomedical field in a wide range of applications, from nanoparticles for local drug delivery to bone fixation screws, and, hence, in a huge spectrum of uses in different medical devices currently available on the market worldwide. The reason for their popularity lies in their combination of interesting peculiarities: in situ degradation, intrinsic biocompatibility (degradation products are recognized and metabolized), processability with standard industrial technologies, and tailorable properties. The knowledge of the degradation rate is an essential requirement for optimal device design when, e.g., fast adsorption time is required, or mechanical properties must be assured over a given time span. In this regard, experimental studies can be time- and money-consuming, due to the time scales (weeks–months) involved in the hydrolysis process. This work aims at providing to both industry and academia robust guidelines for optimal material choice through a systematic experimental and computational analysis of most commonly used PLGA formulations (selected from commercially available products), evaluating the degradation kinetics and its impact on polymer properties. Polyester ; Polylactic acid ; Biocompatibility ; Materials science ; PLGA ; Glycolic acid ; Degradation (telecommunications) ; Polymer ; Computer science ; Nanotechnology ; Process engineering ; Nanoparticle ; Composite material ; Engineering ; Lactic acid biodegradable polymer synthesis and properties ; Graphene and Nanomaterials Applications ; Bone Tissue Engineering Materials
Authors: Suman Pawar | Thomas Théodore | Poornima G. Hiremath
Source: RASAYAN Journal of Chemistry (article, 2019-01-01)
Field: Chemistry — Spectroscopy

SYNTHESIS OF HYDROXYAPATITE FROM AVOCADO FRUIT PEEL AND ITS APPLICATION FOR HEXAVALENT CHROMIUM REMOVAL FROM AQUEOUS SOLUTIONS - ADSORPTION ISOTHERMS AND KINETICS STUDY The potential of hydroxyapatite particles prepared from avocado peel (APH) for the removal of Cr (VI) ions from aqueous solutions was studied. The APH was characterized using x-ray diffraction; Fourier transforms infrared spectroscopy, and scanning electron microscopy. The adsorption of Cr (VI) ions from aqueous solutions onto APH was studied. The batch adsorption experiments were performed in 250-cm 3 Erlenmeyer flasks containing 100 cm 3 solution of Cr (VI) of known concentration with a known mass of adsorbent (APH) added to the solution. The flasks were agitated at 120 rpm on a rotary shaker incubator for a known time at 30C. The impact of different parameters such as initial Cr (VI) concentration, adsorbent dosage, contact time, and pH of the solution was studied. The hexavalent chromium removal efficiency (91.27%) increased with increase in initial Cr (VI) ions concentration (50 to 200 mg/L), and adsorbent dosage (0.1 to 0.5 g/100 mL). The adsorption isotherms and kinetics of the process were also studied. The Freundlich adsorption isotherm well explained Cr (VI) adsorption onto APH. Cr (VI) adsorption onto APH very well agreed with the pseudo-second-order kinetic model as indicated by the R 2 value (0.99). APH is an eco-friendly and low-cost adsorbent. APH is very effective for the removal of hexavalent chromium from aqueous solutions. Hexavalent chromium ; Adsorption ; Kinetics ; Aqueous solution ; Chromium ; Chemistry ; Nuclear chemistry ; Chemical engineering ; Materials science ; Organic chemistry ; Engineering ; Physics Analytical Chemistry and Chromatography ; Inorganic and Organometallic Chemistry
Authors: Changzhong Chen | Fengbo Liu | Xiongzhi Zhang | Zhiyong Zhao | Simin Liu
Source: Beilstein Journal of Organic Chemistry (article, 2019-04-29)
Field: Materials Science — Biomaterials

Fabrication, characterization and adsorption properties of cucurbit[7]uril-functionalized polycaprolactone electrospun nanofibrous membranes The fabrication of electrospun nanofibers comprising cucurbit[7]uril (CB[7]) and poly(ε-caprolactone) (PCL) is reported. Various techniques such as SEM, FTIR, XRD, DSC and TG were utilized to characterize the morphology, composition and properties of the nanofibers. Uniform bead-free electrospun nanofibers were obtained from PCL/CB[7] mixed solutions and the average fiber diameter of the nanofibers increases with the increase of CB[7] content. The nanofibers are composed of a physical mixture of PCL and CB[7], and CB[7] itself is present in the PCL fiber matrix in an uncomplexed state. The static adsorption behavior of the PCL/CB[7] nanofibers towards methylene blue (MB) was also preliminary investigated. The results indicate that the adsorption of MB onto the nanofibrous membranes fits the second-order kinetic model and Langmuir isotherm model. Nanofiber ; Electrospinning ; Chemical engineering ; Adsorption ; Membrane ; Polycaprolactone ; Chemistry ; Polymer chemistry ; Langmuir adsorption model ; Fourier transform infrared spectroscopy ; Fiber ; Polymer ; Organic chemistry Electrospun Nanofibers in Biomedical Applications ; Supramolecular Chemistry and Complexes ; Electrohydrodynamics and Fluid Dynamics
Authors: Francisco José Alguacil
Source: Revista de Metalurgia (article, 2019-12-20)
Field: Chemistry — Electrochemistry

La eliminación de metales tóxicos presentes en efluentes líquidos mediante resinas de cambio iónico. Parte XI: Cobalto(II)/H+/Lewatit TP260 Este trabajo investiga sobre la eliminación de cobalto(II) presente en medios acuosos mediante la resina de cambio iónico Lewatit TP260. El sistema se estudia bajo distintas condiciones experimentales: velocidad de agitación (300-1400 min-1), temperatura (20-60 ºC), pH del medio acuoso (1-5), dosificacion de la resina (0.07-0.5 g·L-1) y fuerza iónica de la disolución acuosa. El metal se carga en la resina mediante una reacción de intercambio catiónica en un proceso endotérmico y espontáneo. Esta reacción de intercambio se define por un proceso de difusión en la disolución acuosa y el modelo cinético de pseudo-primer orden (20 ºC) y el modelo cinético de pseudo-segundo orden (60 ºC), asimismo los resultados experimentales se ajustan bien a la isoterma de Langmuir. Los resultados experimentales del sistema se han comparado con los obtenidos con otras resinas de intercambio cationico y también con nanotubos de carbono de pared multiple oxidados y sin oxidar. Se estudia la selectividad del sistema Co(II)-Lewatit TP260 con respecto a la presencia de otros cationes (disoluciones binarias Co-metal) en el medio acuoso). El cobalto(II) cargado en la resina se puede fluir con disoluciones ácidas (HCl o H2SO4). Chemistry ; Nuclear chemistry ; Physics ; Medicinal chemistry Electrochemical Analysis and Applications ; Adsorption and biosorption for pollutant removal ; Electrochemical sensors and biosensors
Authors: Ikechukwu Ogadimma Alisi | Adamu Uzairu | Stephen Eyije Abechi | S. O. Idris
Source: Journal of the Turkish Chemical Society Section A Chemistry (article, 2019-02-22)
Field: Chemistry — Organic Chemistry

Development of Predictive Antioxidant Models for 1,3,4-Oxadiazoles by Quantitative Structure Activity Relationship The free radical scavenging properties of 1,3,4-oxadiazoles have been explored by the application of quantitative structure activity relationship (QSAR) studies. The entire data set of the oxadiazole derivatives were minimized and subsequently optimized at the density functional theory (DFT) level in combination with the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) hybrid functional and 6-311G* basis set. Kennard Stone algorithm was employed in data division into training and test sets. The training set were employed in QSAR model development by genetic function algorithm (GFA), while the test set were used to validate the developed models. The applicability domain of the developed model was accessed by the leverage approach. The varation inflation factor, degree of contribution and mean effect of each descriptor were calculated. Quantum chemical and molecular descriptors were generated for each molecule in the data set. Five predictive models that met all the requirements for acceptability with good validation results were developed. The best of the five models gave the following validation results: , , and c , rmsep . The QSAR analysis revealed that the sum of e-state descriptors of strength for potential hydrogen bonds of path length 9 (SHBint9) and topological radius (topoRadius) are the most crucial descriptors that influence the free radical scavenging activities of 1,3,4-oxadiazole derivatives. Quantitative structure–activity relationship ; Applicability domain ; Chemistry ; Test set ; Leverage (statistics) ; Density functional theory ; Molecular descriptor ; Training set ; Molecule ; Computational chemistry ; Biological system ; Algorithm ; Artificial intelligence ; Computer science ; Stereochemistry ; Organic chemistry Free Radicals and Antioxidants ; Computational Drug Discovery Methods ; Synthesis and biological activity
Authors: Grzegorz Kazek | Monika Głuch‐Lutwin | Barbara Mordyl | Elżbieta Menaszek | Janusz Szklarzewicz | Ryszard Gryboś | Monika Papież
Source: Science Technology and Innovation (article, 2019-03-14)
Field: Chemistry — Inorganic Chemistry

Cell-based Screening For Identification Of The Novel Vanadium Complexes With Multidirectional Activity Relative To The Cells And The Mechanisms Associated With Metabolic Disorders In this study, 110 newly synthesized vanadium complexes from different structural groups were screened in three cell-based models representing the main target tissues for anti-diabetic drugs. In glucose utilization in C2C12 myocyte experiments, 93% of vanadium complexes were shown to have equal or greater activity than bis(maltolato)oxovanadium(IV) (BMOV), the methyl analog of bis(ethylmaltolato)oxovanadium(IV) (BEOV) which has been tested in clinical trials. Moreover, 49% and 50% of these complexes were shown to have equal or greater activity than BMOV in lipid accumulation in 3T3-L1 adipocytes and insulin secretion in RINm5F beta cell experiments, respectively. These results were the basis for the selection of compounds for the subsequent steps in the characterization of anti-diabetic properties. This study provides strong support for the application of screening cell-based assays with a phenotypic approach for the discovery of novel anti-diabetic drugs from the vanadium complex class. This is especially desirable due to the multiple and not fully defined mechanisms of action vanadium compounds. Vanadium ; Cell ; Chemistry ; Phenotypic screening ; Insulin ; Biological activity ; Mechanism of action ; In vivo ; Biochemistry ; Diabetes mellitus ; Phenotype ; In vitro ; Endocrinology ; Biology ; Gene ; Genetics Vanadium and Halogenation Chemistry ; Heme Oxygenase-1 and Carbon Monoxide ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Radha Krishna | Abhishek Pandagale | Pradeepkumar Ronad | S.S. Honnalli | Bhrigu Kumar Das | Pramod C. Gadad
Source: Asian Journal of Pharmacy and Pharmacology (article, 2019-05-01)
Field: Chemistry — Organic Chemistry

Synthesis and pharmacological evaluation of schiff bases of 7-amino-4-methyl coumarins as novel anti-inflammatory agents Objective: The present investigation involves the synthesis and examination of anti-inflammatory activity of schiff bases of 7-amino-4-methyl-coumarins in different experimentally induced inflammatory models. Coumarin ; Schiff base ; Chemistry ; Anti-inflammatory ; Combinatorial chemistry ; Pharmacology ; Medicine ; Organic chemistry ; Stereochemistry Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Reactions of Organic Compounds