jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Krishnaja Tikkisetty | Paige McCallum | Taylor Filewood | Jeffrey Yan | Honoria Kwok | Pamela Brunswick | Robert B. Cody | Dayue Shang
Source: ENVIRONMENTAL SYSTEMS RESEARCH (article, 2023-03-11)
Field: Chemistry — Spectroscopy

Rapid spilled oil analysis using direct analysis in real time time-of-flight mass spectrometry Abstract Background The biomarker diagnostic ratio analysis outlined by the European Committee for Standardization is considered the current gold standard in oil forensic analysis. However, it has a major limitation as an emergency response procedure in the case of a large scale oil spill due to the high number of samples collected, long GC/MS instrument run time, and the time-consuming data processing required. This current study utilized direct analysis in real time time-of-flight mass spectrometry to develop a rapid spilled oil screening method. An exploratory search of biomarkers and synthetic additives was conducted on reference oil samples of various types. To build a robust yet swift procedure for oil typing, specific heat maps were built with extensive reference sample modelling. These heat maps were then used to select relevant ions from which principal component analysis and discriminant analysis of principal component models were constructed to result in defensible oil classifications. Results The initial exploratory search of biomarkers and additives in the various reference oil samples resulted in promising preliminary matches. The heat map and multivariate statistical analysis oil typing method was applied to three unknown samples, all of which were classified accurately. Conclusion The merit of direct analysis in real time time-of-flight mass spectrometry on oil forensic was confirmed with the detected biomarkers compound class starting members and lubricating additives along with the successful application of heat maps and multivariate statistical analysis, providing a swift yet reliable screening tool for oil spill environmental monitoring and impact surveying. Principal component analysis ; Mass spectrometry ; Environmental science ; Time-of-flight mass spectrometry ; Exploratory analysis ; Computer science ; Process engineering ; Data mining ; Chromatography ; Chemistry ; Engineering ; Artificial intelligence Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Oil Spill Detection and Mitigation
Authors: Jiao Liu | Jiawen Peng | Jie Yang | Jing Wang | Xitian Peng | Wei Yan | Liuqing Zhao | Lijun Peng | Youxiang Zhou
Source: Foods (article, 2023-06-27)
Field: Chemistry — Analytical Chemistry

Comparative Analysis of the Physicochemical Properties and Metabolites of Farinose and Crisp Lotus Roots (Nelumbo nucifera Gaertn.) with Different Geographical Origins Lotus roots are widely consumed vegetables because of their great taste and abundant nutrients, but their quality varies with the environments and cultivar. This study systematically compared farinose (Elian No. 5) and crisp (Elian No. 6) lotus root cultivars from three geographical origins. Pasting and texture characteristics verified that Elian No. 5 possessed lower hardness and lower ability to withstand shear stress and heating during cooking compared with Elian No. 6. Untargeted metabolite profiling was first performed using ultrahigh-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) combined with a Zeno trap. In total, 188 metabolites were identified based on the matching chemistry database. Multivariate analysis demonstrated that lotus roots from different cultivars and origins could be adequately distinguished. Sixty-one differential metabolites were identified among three Elian No. 5 samples, and 28 were identified among three Elian No. 6 samples. Isoscopoletin, scopoletin, and paprazine were the most differential metabolites between Elian No. 5 and Elian No. 6. These results can inform future research on the discrimination and utilization of lotus roots. Lotus ; Cultivar ; Nelumbo nucifera ; Metabolomics ; Metabolite ; Flavor ; Chemistry ; Electrospray ionization ; Botany ; Lotus effect ; Biology ; Horticulture ; Mass spectrometry ; Food science ; Chromatography ; Biochemistry Chromatography in Natural Products ; Traditional Chinese Medicine Analysis ; Phytochemical Studies and Bioactivities
Authors: Jeremy Hartse | Alessandro Roggero
Source: The European Physical Journal A (article, 2023-03-09)
Field: Chemistry — Spectroscopy

Faster spectral density calculation using energy moments Abstract Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate the recently proposed Gaussian Integral Transform technique in terms of Fourier moments of the system Hamiltonian which can be computed efficiently on a quantum computer. One of the main advantages of this framework is that it allows for an important reduction of the computational cost by exploiting previous knowledge about the energy moments of the spectral density. For a simple model of medium mass nucleus like $$^{40}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msup> <mml:mrow/> <mml:mn>40</mml:mn> </mml:msup> </mml:math> Ca and target energy resolution of 1 MeV we find an expected speed-up of $$\approx 125$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>125</mml:mn> </mml:mrow> </mml:math> times for the calculation of the giant dipole response and of $$\approx 50$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>50</mml:mn> </mml:mrow> </mml:math> times for the simulation of quasi-elastic electron scattering at typical momentum transfers. Energy (signal processing) ; Method of moments (probability theory) ; Energy density ; Physics ; Computational physics ; Mathematics ; Statistics ; Theoretical physics ; Quantum mechanics Advanced NMR Techniques and Applications ; Advanced Chemical Physics Studies ; Atomic and Molecular Physics
Authors: Susann Rothe | Jens Lienig
Source:  (article, 2023-03-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Combined Modeling of Electromigration, Thermal and Stress Migration in AC Interconnect Lines The migration of atoms in metal interconnects in integrated circuits (ICs) increasingly endangers chip reliability. The susceptibility of DC interconnects to electromigration has been extensively studied. A few works on thermal migration and AC electromigration are also available. Yet, the combined effect of both on chip reliability has been neglected thus far. This paper provides both FEM and analytical models for atomic migration and steady-state stress profiles in AC interconnects considering electromigration, thermal and stress migration combined. For this we expand existing models by the impact of self-healing, temperature-dependent resistivity, and short wire length. We conclude by analyzing the impact of thermal migration on interconnect robustness and show that it cannot be neglected any longer in migration robustness verification. Electromigration ; Interconnection ; Robustness (evolution) ; Materials science ; Reliability (semiconductor) ; Thermal ; Electronic engineering ; Integrated circuit ; Chip ; Stress (linguistics) ; Optoelectronics ; Electrical engineering ; Computer science ; Engineering ; Composite material ; Physics ; Telecommunications ; Chemistry Copper Interconnects and Reliability ; Semiconductor materials and devices ; Electronic Packaging and Soldering Technologies
Authors: Miguel Castro-Dı́az | Mohamed Osmani | Sérgio Cavalaro | Íñigo Cacho | Iratxe Uria | Paul Needham | Jeremy G. Thompson | Bill Parker | Tatiana Lovato
Source: Applied Sciences (article, 2023-02-13)
Field: Chemistry — Analytical Chemistry

Hyperspectral Imaging Sorting of Refurbishment Plasterboard Waste Post-consumer plasterboard waste sorting is carried out manually by operators, which is time-consuming and costly. In this work, a laboratory-scale hyperspectral imaging (HSI) system was evaluated for automatic refurbishment plasterboard waste sorting. The HSI system was trained to differentiate between plasterboard (gypsum core between two lining papers) and contaminants (e.g., wood, plastics, mortar or ceramics). Segregated plasterboard samples were crushed and sieved to obtain gypsum particles of less than 250 microns, which were characterized through X-ray fluorescence to determine their chemical purity levels. Refurbishment plasterboard waste particles &lt;10 mm in size were not processed with the HSI-based sorting system because the manual processing of these particles at a laboratory scale would have been very time-consuming. Gypsum from refurbishment plasterboard waste particles &lt;10 mm in size contained very small amounts of undesirable chemical impurities for plasterboard manufacturing (chloride, magnesium, sodium, potassium and phosphorus salts), and its chemical purity was similar to that of the gypsum from HSI-sorted plasterboard (96 wt%). The combination of unprocessed refurbishment plasterboard waste &lt;10 mm with HSI-sorted plasterboard ≥10 mm in size led to a plasterboard recovery yield &gt;98 wt%. These findings underpin the potential implementation of an industrial-scale HSI system for plasterboard waste sorting. Gypsum ; Materials science ; Sorting ; Waste management ; Environmental science ; Pulp and paper industry ; Composite material ; Engineering ; Computer science Spectroscopy and Chemometric Analyses ; Cultural Heritage Materials Analysis ; Mineral Processing and Grinding
Authors: Feyza AKARSLAN KODALOĞLU | Murat KODALOĞLU
Source: International Journal of Computational and Experimental Science and Engineering (article, 2023-06-25)
Field: Materials Science — Polymers and Plastics

Determining The Drying Rates of Fabrics with Different Knit Structures by Fuzzy Logic Method Drying; It is a process applied to reduce the amount of water in a product or to reduce it to very low levels. The constantly changing conditions during the drying process make it difficult to determine the most suitable operating conditions to perform the drying process, such as drying time, energy consumption and product structural characteristics. In terms of a suitable drying, it is important to be able to control the factors affecting the drying depending on the characteristics of the product. Among these factors, the drying method and the pre-treatments that can be applied are also effective on drying. The high temperatures applied during drying and other conditions that are not chosen correctly can cause negative results in both the appearance of the product. The drying process in the textile industry is an expensive and laborious process that requires a lot of energy. The main purpose of the drying process is to provide maximum energy saving and energy efficiency at minimum time and cost without compromising the quality and structural properties of the material used. In this study, four fuzzy models were created depending on fabric fiber blend ratios and knitting structure in order to determine the effect on drying speed depending on time and temperature by using fuzzy logic method, which is one of the artificial intelligence methods. Process engineering ; Fuzzy logic ; Process (computing) ; Energy consumption ; Quality (philosophy) ; Wood drying ; Product (mathematics) ; Computer science ; Pulp and paper industry ; Materials science ; Mathematics ; Engineering ; Composite material ; Artificial intelligence Textile materials and evaluations ; Color perception and design
Authors: Zhong Liang | Ruiqi Huang | Lele Gao | Jianan Yue | Bing Zhao | Lei Nie | Lian Li | Aoli Wu | Kefan Zhang | Zhaoqing Meng | Guiyun Cao | Hui Zhang | Hengchang Zang
Source: Molecules (article, 2023-07-26)
Field: Chemistry — Analytical Chemistry

A Novel Variable Selection Method Based on Binning-Normalized Mutual Information for Multivariate Calibration Variable (wavelength) selection is essential in the multivariate analysis of near-infrared spectra to improve model performance and provide a more straightforward interpretation. This paper proposed a new variable selection method named binning-normalized mutual information (B-NMI) based on information entropy theory. "Data binning" was applied to reduce the effects of minor measurement errors and increase the features of near-infrared spectra. "Normalized mutual information" was employed to calculate the correlation between each wavelength and the reference values. The performance of B-NMI was evaluated by two experimental datasets (ideal ternary solvent mixture dataset, fluidized bed granulation dataset) and two public datasets (gasoline octane dataset, corn protein dataset). Compared with classic methods of backward and interval PLS (BIPLS), variable importance projection (VIP), correlation coefficient (CC), uninformative variables elimination (UVE), and competitive adaptive reweighted sampling (CARS), B-NMI not only selected the most featured wavelengths from the spectra of complex real-world samples but also improved the stability and robustness of variable selection results. Feature selection ; Mutual information ; Robustness (evolution) ; Entropy (arrow of time) ; Computer science ; Variable elimination ; Collinearity ; Pattern recognition (psychology) ; Total correlation ; Statistics ; Principal component analysis ; Calibration ; Multivariate statistics ; Correlation coefficient ; Mathematics ; Data mining ; Artificial intelligence ; Inference ; Chemistry Spectroscopy and Chemometric Analyses ; Fault Detection and Control Systems ; Advanced Statistical Methods and Models
Authors: Belal Gaci | Florent Abdelghafour | Maxime Ryckewaert | Silvia Mas-Garcia | Marine Louargant | Florence Verpont | Yohana Laloum | Ryad Bendoula | Gilles Chaix | Jean‐Michel Roger
Source: Chemometrics and Intelligent Laboratory Systems (article, 2023-06-10)
Field: Chemistry — Analytical Chemistry

A novel approach to combine spatial and spectral information from hyperspectral images Hyperspectral imaging ; Pattern recognition (psychology) ; Computer science ; Artificial intelligence ; Principal component analysis ; Spatial analysis ; Singular value decomposition ; Information extraction ; Process (computing) ; Sensor fusion ; Feature extraction ; Block (permutation group theory) ; Full spectral imaging ; Image resolution ; Computer vision ; Remote sensing ; Mathematics ; Geography Spectroscopy and Chemometric Analyses ; Remote-Sensing Image Classification ; Remote Sensing in Agriculture
Authors: Merlin Simo‐Tagne | André Zoulalian | Yann Rogaume | Romain Rémond | Beguidé Bonoma
Source: Journal of Renewable Energies (article, 2023-10-17)
Field: Materials Science — Polymers and Plastics

Modélisation des isothermes de sorption, caractérisation des propriétés thermodynamiques et détermination des humidités d’équilibre d’usage des bois tropicaux Les bois tropicaux sont largement produits dans le bassin du Congo et en Amazonie et leurs exportations sont source de beaucoup d’argent. Il est important de réduire les pertes suite à une utilisation d’un bon processus de séchage lié aux conditions de l’environnement (température et humidité relative de l’air). Dans ce travail, nous modélisons les isothermes de sorption de six bois tropicaux (Sapele, Afzelia, Obeche, Ebony, Frake et Moabi) en utilisant onze modèles, les points expérimentaux sont prix dans la littérature avec la température de l’air comprise entre 15 et 60°C et l’humidité relative de l’air comprise entre 0.02 et 0.98 %. Selon les valeurs moyennes des erreurs obtenues, les modèles de GAB, Luikov modifié et de Nelson sont les meilleurs modèles recommandés pour traduire les isothermes de sorption des bois tropicaux. Les mauvais modèles sont les modèles d’Halsey modifié, Smith modifié, GAB modifié et le modèle d’Iglesias, Chirife et Halsey. Les modèles qui donnent une description assez satisfaisante sont ceux de Henderson modifié, Oswin modifié et Chung et Pfost modifié. Le modèle de BET est approprié pour estimer la teneur en eau d’équilibre lorsque la monocouche est saturée. Les valeurs des énergies d’activation obtenues sont rangées entre 8420 et 13911 J/mol lors de la désorption et entre 3266 et 6499 J/mol lors de l’adsorption. Les points de saturation des fibres (PSF) et les énergies libres de Gibbs par gramme d’eau adsorbée obtenus décroisent lorsqu’augmente la température à une humidité relative de l’air donnée. Les PSF obtenus sont confinés entre 0.16 et 0.33 kg/kg. Les valeurs moyennes des énergies libres de Gibbs par gramme d’eau absorbée varient de 149 à 206 cal/g. la différence des enthalpies molaires de sorption entre les monocouches et les multicouches au-delà de la saturation de la monocouche est en général supérieure de la différence entre les enthalpies molaires de sorption des multicouches au-delà de la saturation de la monocouche et l’eau à l’état liquide. La teneur en eau d’équilibre au niveau de la saturation de la monocouche est située entre 0.025 et 0.08 kg/kg. A de faibles teneurs en eau, la chaleur isostérique de sorption des bois étudiés est importante et décroît avec une convergence vers 1760 kJ/kg à 40°C lorsqu’augmente la teneur en eau d’équilibre. La température influence la chaleur isostérique de sorption des bois tropicaux étudiés. Les humidités des planches recherchées durant leur séchage sont fonction du milieu d’utilisation (ville, intérieur, extérieur, intérieur conditionné). Ces valeurs sont présentées dans la dernière partie de ce papier. Physics ; Humanities ; Chemistry ; Philosophy Textile materials and evaluations
Authors: Gwendolyn M. Eadie | Joshua S. Speagle | Jessi Cisewski-Kehe | Daniel Foreman-Mackey | Daniela Huppenkothen | David E. Jones | Aaron Springford | Hyungsuk Tak
Source: arXiv (Cornell University) (preprint, 2023-02-09)
Field: Chemistry — Analytical Chemistry

Practical Guidance for Bayesian Inference in Astronomy In the last two decades, Bayesian inference has become commonplace in astronomy. At the same time, the choice of algorithms, terminology, notation, and interpretation of Bayesian inference varies from one sub-field of astronomy to the next, which can lead to confusion to both those learning and those familiar with Bayesian statistics. Moreover, the choice varies between the astronomy and statistics literature, too. In this paper, our goal is two-fold: (1) provide a reference that consolidates and clarifies terminology and notation across disciplines, and (2) outline practical guidance for Bayesian inference in astronomy. Highlighting both the astronomy and statistics literature, we cover topics such as notation, specification of the likelihood and prior distributions, inference using the posterior distribution, and posterior predictive checking. It is not our intention to introduce the entire field of Bayesian data analysis -- rather, we present a series of useful practices for astronomers who already have an understanding of the Bayesian "nuts and bolts" and wish to increase their expertise and extend their knowledge. Moreover, as the field of astrostatistics and astroinformatics continues to grow, we hope this paper will serve as both a helpful reference and as a jumping off point for deeper dives into the statistics and astrostatistics literature. Terminology ; Bayesian statistics ; Notation ; Inference ; Bayesian inference ; Computer science ; Bayesian probability ; Frequentist inference ; Field (mathematics) ; Artificial intelligence ; Mathematics ; Linguistics Spectroscopy and Chemometric Analyses ; Advanced Statistical Methods and Models ; Advanced Statistical Process Monitoring
Authors: Alan E. Willner | Xinzhou Su | Hao Song | Huibin Zhou | Kaiheng Zou
Source: Nanophotonics (review, 2023-03-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Integrated circuits based on broadband pixel‐array metasurfaces for generating data‐carrying optical and THz orbital angular momentum beams There is growing interest in using multiple multiplexed orthogonal orbital angular momentum (OAM) beams to increase the data capacity of communication systems in different frequency ranges. To help enable future deployment of OAM-based communications, an ecosystem of compact and cost-effective OAM generators and detectors is likely to play an important role. Desired features of such integrated circuits include generating and detecting multiple coaxial OAM beams, tunability of OAM orders, and operation over a wide bandwidth. In this article, we discuss the use of pixel-array-based metasurfaces as OAM transmitters and receivers for mode division multiplexing (MDM) communications in near-infrared (NIR) and terahertz (THz) regimes. Broadband ; Terahertz radiation ; Angular momentum ; Optoelectronics ; Optics ; Physics ; Electronic circuit ; Metamaterial Metamaterials and Metasurfaces Applications ; Orbital Angular Momentum in Optics ; Advanced Antenna and Metasurface Technologies
Authors: Jamal Hossen | Subrata Kumar Saha
Source: Tekstilec (article, 2023-09-29)
Field: Materials Science — Polymers and Plastics

Influence of Blending Method and Blending Ratio on Ring-spun Yarn Quality – a MANOVA Approach Cotton-polyester is a common and popular fibre blend in the textile industry nowadays. Its main advantage is that it improves the functional properties of clothing and textile products. In this study, fibre-blended, sliver-blended and roving-blended yarns with a fineness of 23 tex were manufactured using a ring spinning system, with blend ratios of cotton and polyester fibres of 50:50, 60:40 and 70:30. The quality parameters of the produced yarn, such as mass variations, imperfections, hairiness and bundle yarn strength, were studied. The end breakage rate of the ring frame machine was also studied during the manufacturing of the yarns. The results were analysed using multivariate analysis of variance (MANOVA) to determine the significance of the impact of the blending method and blending ratio on yarn quality and the end breakage rate of the ring frame machine. The profile plots were analysed from statistical and technical points of view. Among the three blended yarns, fibre-blended yarn demonstrated the best results in terms of mass variations and imperfections due to better blending homogeneity, while roving-blended yarn demonstrated better results in terms of hairiness. Among the blended yarn, fibre-blended yarn demonstrated the highest bundle yarn strength value, while the corresponding end breakage rate of the ring frame machine recorded the lowest value. The yarn quality was improved in terms of mass variations, imperfections, hairiness and bundle yarn strength by increasing the polyester fibre percentage in the blend ratio. Yarn ; Composite material ; Fineness ; Materials science ; Weaving ; Breakage ; Polyester ; Spinning ; Textile ; Mathematics Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Mechanical Engineering and Vibrations Research