jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Johannes Passig | Julian Schade | Ellen Iva Rosewig | Robert Irsig | Thomas Kröger-Badge | Hendryk Czech | Martin Sklorz | Thorsten Streibel | Lei Li | Xue Li | Zhen Zhou | Henrik Fallgren | Jana Moldanová | Ralf Zimmermann
Source:  (preprint, 2020-01-20)
Field: Chemistry — Spectroscopy

Resonance-Enhanced Detection of Metals in Aerosols using Single Particle Mass Spectrometry Abstract. We describe resonance effects in laser desorption/ionization (LDI) of particles that substantially increase the sensitivity and selectivity to metals in single particle mass spectrometry (SPMS). Within the proposed scenario, resonant light absorption by ablated metal atoms increases their ionization rate within a single laser pulse. By choosing the appropriate laser wavelength, the key micronutrients Fe, Zn and Mn can be detected on individual aerosol particles with considerably improved efficiency. These ionization enhancements for metals apply to natural dust and anthropogenic aerosols, both important sources of bioavailable metals to marine environments. Transferring the results into applications, we show that the spectrum of our KrF-excimer laser is in resonance with a major absorption line of iron atoms. To estimate the impact of resonant LDI on the metal detection efficiency in SPMS applications, we performed a field experiment on ambient air with two alternately firing excimer lasers of different wavelengths. Herein, resonant LDI with the KrF-excimer laser (248.3 nm) revealed Fe signatures for many more aerosol particles compared to the more common ArF-excimer laser line of 193.3 nm. Moreover, resonant ionization of iron appeared to be less dependent on the particle matrix than conventional non-resonant LDI, allowing a more universal and secure detection of Fe. Our findings show a way to improve the detection and source attribution capabilities of SPMS for particle-bound metals, a health-relevant aerosol component and an important source of micronutrients to the surface oceans affecting marine primary productivity. Mass spectrometry ; Aerosol ; Ionization ; Laser ; Excimer laser ; Particle (ecology) ; Resonance (particle physics) ; Absorption (acoustics) ; Analytical Chemistry (journal) ; Chemistry ; Materials science ; Atomic physics ; Optics ; Ion ; Environmental chemistry Mass Spectrometry Techniques and Applications ; Atmospheric chemistry and aerosols ; Mercury impact and mitigation studies
Authors: Komal Sharma | Ganesh Kumar Sethi | Rajesh K. Bawa
Source: Journal of scientific research (review, 2020-01-01)
Field: Chemistry — Analytical Chemistry

Feature Based Qualitative Classification of Rice Varieties: A Review Rice is regarded as main staple food for around 80% of the Southeast Asia population alone. As most nations achieving selfcompetency in rice production, better quality rice is of utmost priority of consumer. It is very tedious work for consumers to analyze the good quality and rice grading in the market. Rice grains' quality determination is judged visually by human inspectors following manual process which is neither objective in nature nor effective due to non-reliability of results occurring as a result of inexperienced inspectors or human errors. So need for an automatic rice quality grading system arises which can eliminate the inadequacies of manual quality grading process. In this paper, Different techniques of machine learning, deep learning and image processing considering morphological, color, shape, textural as well as other features of rice are analyzed to review the current research scenario in automatic quality grading process. Various procedures and methods are considered for the review purpose to analyze the quality of rice grains on the basis of different features of rice. Feature (linguistics) ; Pattern recognition (psychology) ; Computer science ; Artificial intelligence ; Linguistics Spectroscopy and Chemometric Analyses ; GABA and Rice Research ; Smart Agriculture and AI
Authors: G. Nirmala
Source: Bioscience Biotechnology Research Communications (article, 2020-12-25)
Field: Chemistry — Analytical Chemistry

Dimentionality Reduction Using Principal Compound Analysis in Supervised Machine Learning Techniques Breast cancer is the most common diseases among women's world-wide. The survival rate of the women may increase early diagnosis of the disease. Researchers helping the physicians for analyzing and predicting the breast cancer as early as possible using various technologies. This research explores the feature reduction property of Principal Compound Analysis (PCA) on breast cancer decisions support system from wisconsin breast cancer dataset which are analyzed in both two dimensional and 3 dimensional components. The data are reduced to 4 features using chi-square method and evaluated the accuracy of classifiers such as K-Nearest Neighbor (K-NN), Linear Regression(LR), Support Vector Machine (SVM), Random Forest(RF), Decision Tree (DT),Gaussian Nave Bayes(GNB) and Artificial Neural Network (ANN). This is validated with 10 fold cross-validations. These classifiers are evaluated ,in which the ANN method provides high accuracy of 97.00% and also yields better selectivity and sensitivity rates rather than other machine learning algorithms. Principal (computer security) ; Reduction (mathematics) ; Principal component analysis ; Computer science ; Machine learning ; Artificial intelligence ; Pattern recognition (psychology) ; Mathematics Spectroscopy and Chemometric Analyses
Authors: Jun Ho Lee | Hyun Kim | Yong Gyu Choi
Source: Ceramist (article, 2020-09-30)
Field: Materials Science — Materials Chemistry

Compositional Optimization of Chalcogenide Glasses for Use as Imaging Lenses in the Long-Wavelength Infrared Range Demand on thermal camera capable of visualizing spatial distribution of infrared radiation especially in the long-wavelength infrared (LWIR; 8-12 ) range is rapidly increasing in diverse civilian sectors including, for example, mobile electronic devices like smartphone. Unlike the traditional military applications, not only size miniaturization and performance enhancement but also cost reduction becomes more crucial in these civilian applications. As such, as compared with its crystalline counterparts, chalcogenide glass turns out to be more promising as LWIR-transmitting lenses working in numerous civilian sectors in view of its inherent compositional flexibility as to adjusting thermal and optical properties. In addition, its viscoelasticity upon mechanical loading at a proper temperature makes it much more competitive in saving processing cost: Specifically, chalcogenide glass lenses can be mass-produced via precision glass molding (PGM) technique. Chalcogenide ; Infrared ; Materials science ; Optics ; Chalcogenide glass ; Wavelength ; Range (aeronautics) ; Optoelectronics ; Physics ; Composite material Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Advanced Semiconductor Detectors and Materials
Authors: Keyvan Safaei Baghbaderani | Mohammadreza Nematollahi | Parisa Bayatimalayeri | Hediyeh Dabbaghi | Ahmadreza Jahadakbar | Mohammad Elahinia
Source: Volume 1: Additive Manufacturing; Advanced Materials Manufacturing; Biomanufacturing; Life Cycle Engineering; Manufacturing Equipment and Automation (preprint, 2020-09-03)
Field: Materials Science — Materials Chemistry

Mechanical Evaluation of Selective Laser Melted Ni-Rich NiTi: Compression, Tension, and Torsion Abstract Two unique behaviors of superelasticity and shape memory effect have made shape memory alloy such as NiTi, an interesting alloy for different applications. Recently, additive manufacturing (AM) as a powerful tool for fabricating NiTi has become of interest to make complex geometries. Selective laser melting (SLM) is an AM method that not only provides flexibility to make complex 3D shapes but also it can be possible to tailor the thermomechanical properties of the parts just by changing the process parameters. The non-homogenous microstructure of as-fabricated parts as well as asymmetric mechanical behavior of NiTi, make it important to study the properties of SLM NiTi parts under different loading condition. In this study, Ni50.8Ti (at. %) powder was utilized to fabricate cube, dog-bone, and tube by SLM technique. The transformation temperatures (TTs) of samples were measured by the differential scanning calorimetry (DSC) method and the variation of TTs was discussed. Three coupons were tested mechanically under compression, tension, and torsion. In-situ digital image correlation (DIC) was employed to measure and monitor the strain field of samples during the mechanical tests. The strain distribution showed localized strain for all three samples. The equivalent stress/strain was calculated to compare the result of compressive, tensile, and torsional responses and the significant asymmetric behavior was shown and discussed. Materials science ; Selective laser melting ; Nickel titanium ; Shape-memory alloy ; Pseudoelasticity ; Digital image correlation ; Composite material ; Microstructure ; Torsion (gastropod) ; Ultimate tensile strength ; Tensile testing ; Martensite Shape Memory Alloy Transformations
Authors: Serpil Savcı | Fatma Karadağ
Source: NWSA Academic Journals (article, 2020-10-01)
Field: Chemistry — Analytical Chemistry

FAST ADSORPTION OF METHYLENE BLUE BY FILTER COFFEE WASTE In this study, removal of a cationic dye methylene blue by filter coffee grounds as a potential waste was investigated. Systematically, the effect of initial dye concentration, pH and contact time on the adsorption efficiency were determined. Isotherm and kinetic models were studied. Langmuir and Freundlich model were calculated for adsorption of methylene blue. Langmuir model is better fit than Freundlich model (R 2 =0.9892). The maximum adsorption capacity of filter coffee waste were 312.515 mg/g. Scanning electron microscope (SEM) images were used to record the surface characteristics and morphological features of filter coffee waste. This study emphases that filter coffee waste can effectively remove methylene blue from aqueous solution. Methylene blue ; Adsorption ; Coffee grounds ; Filter (signal processing) ; Waste management ; Chemistry ; Environmental science ; Pulp and paper industry ; Nuclear chemistry ; Computer science ; Organic chemistry ; Engineering ; Food science ; Computer vision Dye analysis and toxicity ; Dyeing and Modifying Textile Fibers
Authors: Debashis Saikia | P. K. Boruah | Utpal Sarma
Source: International Journal of Advanced Technology and Engineering Exploration (article, 2020-12-31)
Field: Chemistry — Analytical Chemistry

A computational model for optimum process parameters based on factory data and overall liquor rating of black tea This paper presents a model to find the optimum process conditions for tea manufacturing as well as to predict the black tea quality by implementing a network based tea process parameters monitoring and data logging system. Here, the developed instrument is first calibrated and then implemented to collect the process parameters of tea fermentation and drying. The corresponding tea quality also termed as overall liquor rating (OLR) is collected from tea tasters. Principal component analysis (PCA) is carried out to visualize the pattern of the process parameters. The first two principal components stored 93% useful information whereas more than 6% useful information are stored in the 3rd principal component. It is found from the PCA that maximum samples are clustered in well-defined manner. To study the correlation of the process parameters with OLR, a computational model based on Artificial Neural Network (ANN) has been developed. Non Cross validation (NCV) ANN and Tenfold cross validation (TFCV) ANN models have been trained and tested. Process conditions and corresponding OLR are taken as input and target for the model. 74% classification rate with root mean square error (RMSE) of 0.13 is obtained from the study. The optimum process conditions are found out from the model. Principal component analysis ; Black tea ; Artificial neural network ; Process (computing) ; Mean squared error ; Factory (object-oriented programming) ; Computer science ; Mathematics ; Statistics ; Artificial intelligence ; Chemistry ; Food science Spectroscopy and Chemometric Analyses ; Tea Polyphenols and Effects ; Advanced Chemical Sensor Technologies
Authors: S. Nesterivska | В Д Макогон | M. M. Yatsyshyn | Ivan Saldan | Oleksandr Reshetnyak | N. Pandyak
Source: Visnyk of the Lviv University Series Chemistry (article, 2020-01-01)
Field: Materials Science — Polymers and Plastics

Adsorption properties of glauconite/polyaniline-phosphate acid composites with regard to Cr(VI) The adsorption properties of glauconite/polyaniline-phosphate acid composites with respect to aqueous solutions of Cr(VI) were performed on the composites prepared by oxidative polycondensation of aniline with ammonium peroxydisulfate in aqueous solutions of phosphate acid and presence of glauconite powder. Molar ratio between aniline and ammonium peroxydisulfate was 1:1.1 and glauconite content –1 g. The composites synthesis was confirmed with XRD and FT-IR spectral analysis as well studies of electric conductivity. Analysis of the spectral, thermal, and electric properties of the synthesized composites showed their difference with respect to pure glauconite and polyaniline. In the composites polyaniline is amorphous with minor inclusions of crystallites in the form of emeraldine salt of phosphate acid deposited on crystalline glauconite. The present interfacial interaction between polyaniline and glauconite through hydrogen bonds between hydroxyl groups of glauconite surface and amine groups of polyaniline macromolecules is useful to hold polymer layers on the mineral particles. Based on the thermal studies chemical composition of the composites and dependence of their thermal stability on phosphate acid content was shown. Value of the specific electric conductivity of the composites additionally confirms the presence of phosphate acid. In present work the possibility of the use of glauconite/polyaniline-phosphate acid composites for the sorption of aqueous solutions of Cr(VI) was shown in practice. XRD analysis of the powders has been carried out using a Dron-4-07 diffractometer (Cu Kα radiation; l=1.54060 Å). FTIR spectrа were recorded using a NICOLET IS 10 ATR spectrophotometer in reflection mode which was later transformed into transmission. Thermal analysis was carried out using Derivatograph Q 1500-D with heating rate of 10 °С/min in open air within temperature range of 20–900 °С to complete sample destruction. Electric conductivity of the tableted samples was determined through measuring their resistance in the "sandwich" type cells at temperature of 20±1 °С using a Rigol DM 3 068 device. Keywords : polyaniline, glauconite/polyaniline composite, structure, sorption Cr(VI). Polyaniline ; Glauconite ; Materials science ; Polyaniline nanofibers ; Aqueous solution ; Aniline ; Composite material ; Adsorption ; Inorganic chemistry ; Chemical engineering ; Nuclear chemistry ; Polymer chemistry ; Chemistry ; Polymer ; Organic chemistry ; Mineralogy ; Polymerization Conducting polymers and applications ; Chemical Synthesis and Characterization ; Electrochemical sensors and biosensors
Authors: Alexander Zintler | Robert Eilhardt | Shuai Wang | Matúš Krajňák | Patrick Schramowski | Wolfgang Stammer | Stefan Petzold | Nico Kaiser | Kristian Kersting | Lambert Alff | Leopoldo Molina‐Luna
Source: Microscopy and Microanalysis (article, 2020-07-30)
Field: Materials Science — Materials Chemistry

Machine Learning Assisted Pattern Matching: Insight into Oxide Electronic Device Performance by Phase Determination in 4D-STEM Datasets Matching (statistics) ; Materials science ; Phase (matter) ; Computer science ; Oxide ; Artificial intelligence ; Pattern recognition (psychology) ; Chemistry ; Mathematics ; Statistics ; Metallurgy Machine Learning in Materials Science ; Electronic and Structural Properties of Oxides
Authors: Izudin Redžepović | Boris Furtula
Source: Journal of the Serbian Society for Computational Mechanics (article, 2020-06-01)
Field: Chemistry — Organic Chemistry

RESOLVENT ENERGY AND ESTRADA INDEX OF BENZENOID HYDROCARBONS The relationship between the resolvent and Estrada indices for the alkanes has been recently demonstrated. That relationship involved the first Zagreb index besides these two eigenvalue-based molecular descriptors. In this paper, the quality of the correlation is tested in the case of isomeric benzenoid hydrocarbons, where the first Zagreb index is constant. Extraordinary linear correlations are identified for all studied groups of isomeric benzenoid hydrocarbons. Additionally, the relationship of these indices with the boiling points of a set of benzenoid hydrocarbons is presented. Resolvent ; Mathematics ; Boiling point ; Index (typography) ; Eigenvalues and eigenvectors ; Chemistry ; Combinatorics ; Organic chemistry ; Pure mathematics ; Physics ; Quantum mechanics Free Radicals and Antioxidants ; Molecular spectroscopy and chirality ; Inorganic and Organometallic Chemistry
Authors: Nataly J. Galán‐Freyle | Leonardo C. Pacheco‐Londoño | Amanda M. Figueroa‐Navedo | William Ortiz-Rivera | John R. Castro-Suárez | Samuel P. Hernández‐Rivera
Source: Optical Engineering (article, 2020-07-02)
Field: Chemistry — Spectroscopy

Modulated-laser source induction system for remote detection of infrared emissions of high explosives using laser-induced thermal emission In a homeland security setting, the ability to detect explosives at a distance is a top security priority. Consequently, the development of remote, noncontact detection systems continues to represent a path forward. In this vein, a remote detection system for excitation of infrared emissions using a CO2 laser for generating laser-induced thermal emission (LITE) is a possible solution. However, a LITE system using a CO2 laser has certain limitations, such as the requirement of careful alignment, interference by the CO2 signal during detection, and the power density loss due to the increase of the laser image at the sample plane with the detection distance. A remote chopped-laser induction system for LITE detection using a CO2 laser source coupled to a focusing telescope was built to solve some of these limitations. Samples of fixed surface concentration (500 μg / cm2) of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) were used for the remote detection experiments at distances ranging between 4 and 8 m. This system was capable of thermally exciting and capturing the thermal emissions (TEs) at different times in a cyclic manner by a Fourier transform infrared (FTIR) spectrometer coupled to a gold-coated reflection optics telescope (FTIR-GT). This was done using a wheel blocking the capture of TE by the FTIR-GT chopper while heating the sample with the CO2 laser. As the wheel moved, it blocked the CO2 laser and allowed the spectroscopic system to capture the TEs of RDX. Different periods (or frequencies) of wheel spin and FTIR-GT integration times were evaluated to find dependence with observation distance of the maximum intensity detection, minimum signal-to-noise ratio, CO2 laser spot size increase, and the induced temperature increment (ΔT). Laser ; Materials science ; Optics ; Fourier transform infrared spectroscopy ; Far-infrared laser ; Infrared ; Spectrometer ; Laser power scaling ; Chopper ; Remote sensing ; Optoelectronics ; Physics ; Geology Spectroscopy and Laser Applications ; Chemical Thermodynamics and Molecular Structure ; Thermography and Photoacoustic Techniques
Authors: Andrejs Kovaļovs | Kaspars Kalniņš | P. Franciszczak | Andrzej K. Błędzki
Source: Engineering for Rural Development (article, 2020-05-20)
Field: Materials Science — Polymers and Plastics

Low velocity impact response of polypropylene biocomposites reinforced with man-made cellulose and soft wood fibres The study presents an experimental investigation of the impact response of hybrid biocomposites that are based on polypropylene homopolymer HP400R reinforced with man-made cellulose fibres and cellulose microfiller. Man-made cellulose fibres, such as rayon tire cord yarn (Cordenka) and soft wood microfibres (Weho 500) were added to the polypropylene matrix with different weight contents. Composite specimens were manufactured by injection moulding. Absorbed energies and maximum impact forces of biocomposite were determined for each filling ratio of Cordenka and Weho 500 and have been selected as the parameters of the study. It was performed by the method of planning of the experiment and response surface method. Results showed that combination of two types of fillers improved impact properties. Response surface plots reveal that energy and maximum load of biocomposites increases with increasing content of reinforcements, however, the man-made cellulose Cordenka fibres have dominant influence on the obtained results. An addition of the Cordenka fibres increased the absorbed energy by ~372 % and ~243 % in comparison with the unreinforced polypropylene matrix and composite reinforced with 30 wt. % of Weho fibres. The substitution of Cordenka fibres with soft wood fibres gave increase only by ~72 % and ~27 % in comparison with the unreinforced polypropylene matrix and composite reinforced with 30 wt. % of Cordenka fibres. Cellulose ; Polypropylene ; Composite material ; Materials science ; Polymer science ; Engineering ; Chemical engineering Natural Fiber Reinforced Composites ; Wood Treatment and Properties ; Additive Manufacturing and 3D Printing Technologies