jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jan Leppert | Tillman Brehmer | Peter Boeker | Matthias Wüst
Source: Journal of Separation Science (article, 2024-08-01)
Field: Chemistry — Spectroscopy

Generalized flow calculation of the gas flow in a network of capillaries used in gas chromatography A general method for the calculation of the flow and pressure of a gas in a network of cylindrical capillaries is presented. This method is used specifically for gas chromatographic systems in this work. With this approach, it is possible to easily calculate flow and pressures in complex gas chromatographic systems, like flow-modulated or thermal-modulated multidimensional gas chromatographic systems, or systems with multiple outlets at different pressures. A mathematic abstraction using graph theory is used to represent the system of capillaries. With this graph, the flow balance equations at the connections of the capillaries can easily be set up. Using a computer algebra system, the system of flow balance equations can be solved for the pressures at the connection points. For simple systems, this approach is presented, and calculated flows, pressures, and hold-up times are compared with measured values. In addition, two complex systems (4-Way-Splitter, Deans Switch system) of capillaries are presented with calculations only. For these systems, certain conditions were formulated, that is, a certain difference in hold-up times and a defined split ratio between different paths of these systems. Using a numeric non-linear solver, configurations of these systems were found, that fulfill these conditions. Flow (mathematics) ; Solver ; Graph ; Work (physics) ; System of linear equations ; Mechanics ; Chemistry ; Computer science ; Mathematics ; Mathematical optimization ; Thermodynamics ; Theoretical computer science ; Physics ; Mathematical analysis Analytical Chemistry and Chromatography ; Phase Equilibria and Thermodynamics ; Adsorption, diffusion, and thermodynamic properties of materials
Authors: Pradeep Kumar Gupta | Jordi‐Roger Riba | Pau Casals‐Torrens | James F. Garvin | Kaur Tuttelberg | Jako Kilter
Source: IEEE Sensors Letters (article, 2024-11-25)
Field: Materials Science — Materials Chemistry

Sensitivity Analysis of Corona Discharges Measuring Instruments Using Different Electrodes and High Voltage Supplies Corona discharge testing is critical to ensuring the safety, performance and reliability of high-voltage (HV) equipment and systems. Due to the high cost of shielded laboratories, many manufacturers test their components in unshielded laboratories for applications, such as product research and development or quality control. This letter compares the sensitivity of two corona detection instruments in an unshielded laboratory. The sensitivity of an electrical detector according to IEC 60270 in combination with a measuring impedance and a coupling capacitor is compared with that of a digital single lens reflex (DSLR) camera. In addition, needle-to-plane and sphere-to-plane electrode geometries are studied under different types of high-voltage power supplies, i.e., 50 Hz ac, positive dc, and negative dc. Experimental results performed in an unshielded high-voltage laboratory show that although the DSLR camera is not a standard method for partial discharge (PD) detection, it has similar sensitivity to the conventional electrical method according to IEC 60270 in all cases analyzed, and that the digital camera behaves much better in pulseless glow corona mode. Sensitivity (control systems) ; Corona (planetary geology) ; Electrode ; Corona discharge ; Materials science ; High voltage ; Voltage ; Optoelectronics ; Analytical Chemistry (journal) ; Electrical engineering ; Chemistry ; Physics ; Electronic engineering ; Engineering ; Chromatography High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Lightning and Electromagnetic Phenomena
Authors: Joan Borràs‐Ferrís | Abel Folch‐Fortuny | Alberto Ferrer
Source: Journal of Chemometrics (article, 2024-10-25)
Field: Chemistry — Analytical Chemistry

On the Properties of PLS for Analyzing Two‐Level Factorial Experimental Designs ABSTRACT We present here a novel methodology to analyze data from two‐level factorial experimental designs, with or without missing runs, with just one method: partial least squares regression with one response variable (PLS1, hereinafter PLS). This property is very attractive for practitioners because, to the best of our knowledge, no other statistical tool has comparable versatility. In the case of a full and fractional factorial design, the one‐PLS component model yields the same analytical solution as multiple linear regression (MLR), not only in the estimation of the effects but also in their statistical significance. When having missing runs in the factorial design, PLS is of particular interest as it is a powerful tool when dealing with complex correlation structures, as opposed to MLR. Thus, we challenge the widely held view that PLS is useful only when dealing with nonexperimental design (i.e., correlated observational data). The methodology is illustrated by two illustrative examples and synthesized by an easy‐to‐follow route map useful for practitioners. Factorial experiment ; Statistics ; Chemometrics ; Factorial ; Fractional factorial design ; Mathematics ; Factorial analysis ; Computer science ; Machine learning Spectroscopy and Chemometric Analyses ; Optimal Experimental Design Methods ; Industrial Vision Systems and Defect Detection
Authors: Yunus Emre Şekerli | Gökhan Büyük | Muharrem Keskin | Nafi̇z Çeli̇ktaş
Source: Journal of Plant Nutrition and Soil Science (article, 2024-04-09)
Field: Chemistry — Analytical Chemistry

Rapid and cost‐effective assessment of nutrients in pistachio (<i>Pistacia vera</i> L.) leaves through Fourier transform near‐infrared spectroscopy (FT‐NIRS) Abstract Background Pistachio nuts provide many health benefits in human diet. Nutrient levels in plant leaves and fertilizer schedules are determined based on traditional soil and leaf chemical analyses. However, these methods require additional labor, time, and cost, which is why most farmers do not prefer them and cannot detect nutrient deficiencies in time. Fast, easy‐to‐use and low‐cost nutrient level assessment techniques are needed. Aim This study aims to explore the viability of near‐infrared reflectance spectroscopy (NIRS) as a fast, user friendly, and cost effective technique for evluating the major macro‐ and micronutrient contents of dried and ground pistachio leaf sample. Methods The feasibility of NIRS for estimating nutrient contents was investigated by analyzing samples from 200 pistachio trees. Dried and ground pistachio leaves were subjected to NIRS analysis. PLSR (Partial least square regression) analyses were performed to develop nutrient content prediction models using spectral information of samples. Results It was found that the NIRS system had a very good potential to estimate the K, Ca, Cu, and Mg contents of the leaf samples ( R 2 &gt; 0.80). It was also found that Fe and Mn concentrations could also be estimated with good accuracy ( R 2 = 0.70–0.80). However, the NIRS system did not give good results for the prediction of N, P, and Zn ( R 2 &lt; 0.40). Conclusion In conclusion, the NIRS system can be used to quickly, easily, and economically assess the K, Ca, Cu, Mg, Fe, and Mn contents of dried and ground pistachio leaves. This technique has the potential to improve nutrient management practices in pistachio farming within a sustainable and environmentally conscious framework. Fourier transform NIRS (FT‐NIRS) can provide valuable insights by complementing rather than replacing traditional chemical analysis. Laboratory analysis is still required for definitive nutrient content information, but FT‐NIRS can significantly reduce the reliance on such analysis, thereby mitigating the environmental impact caused by the excessive use of chemical fertilizers and minimizing the health risks to laboratory staff. In addition, the rapid information‐gathering capabilities of the FT‐NIRS can be emphasized. Pistacia ; Nutrient ; Micronutrient ; Fertilizer ; Chemistry ; Partial least squares regression ; Horticulture ; Environmental science ; Mathematics ; Biology ; Statistics Spectroscopy and Chemometric Analyses ; Heavy Metals in Plants ; Remote Sensing in Agriculture
Authors: Pavan Bhaskar Chaudhari | R. R. Arakerimath | Khizar Ahmed Pathan | Sher Afghan Khan
Source: Journal of Advanced Research in Fluid Mechanics and Thermal Sciences (article, 2024-09-15)
Field: Materials Science — Materials Chemistry

Comparative Experimental Analysis and Performance Optimization of Single-Cylinder DI and HCCI Engine with Series Catalytic Converters The stringent norms imposed by the government to reduce emissions to the environment have forced all engine manufacturers to reduce engine emissions. Carbon monoxide and NOx emissions from diesel engines are topics of significant consideration. This causes climate change and natural calamities. The current paper focuses on the comparative performance optimization of single-cylinder engines in DI and HCCI mode fitted with custom-designed catalytic converters in Series configuration using Taguchi regression Analysis based on experimental results obtained for series combination. The present work tested a diesel engine in both DI and HCCI modes with catalytic converters in series configurations with various monolith lengths and compression ratios. The test results are then analyzed using the Taguchi method and regression analysis. Overall, BTE is higher for HCCI mode than DI mode with the series arrangement of catalytic converters in the 24% to 35% range. Meanwhile, BSFC is lower for HCCI mode, in the 20% to 64% range. Hydrocarbon emission is higher, starting from 15% to 48%. The NOx emissions are lower for lower load, but on full load, they are more than those in DI Mode. CO emissions are also Higher for HCCI mode in the 12% to 30% range. Converters ; Automotive engineering ; Homogeneous charge compression ignition ; Cylinder ; Series (stratigraphy) ; Computer science ; Materials science ; Mechanical engineering ; Engineering ; Combustion ; Chemistry ; Electrical engineering ; Combustion chamber ; Geology Catalytic Processes in Materials Science ; Advanced Combustion Engine Technologies ; Catalysis and Oxidation Reactions
Authors: Siti Badriah | Yanyan Bahtiar | Peni Cahyati | Asep Andang | Fahmi Fathurrohman
Source: Indonesian Journal of Electronics Electromedical Engineering and Medical Informatics (article, 2024-08-07)
Field: Chemistry — Analytical Chemistry

Identification of Blood Sugar Based on Non-invasive Measurements UsingPhotoplethysmography Method Signal Decoding in Diabetics in Tasikmalaya Non-invasive blood sugar testing tools are now in great demand among the public. This research aims to develop a non-invasive blood sugar examination tool with a Photopletysmograph signal decoding system based on data acquisition from a wearable sensor device on the wrist. The tool used for data acquisition uses Near Infra Red Light-emitting Diode NIR LED 880 nm, 660 nm and 537 nm. This acquisition transfers signals from the body via a photodiode to a PC Personal Computer for processing using Matlab. The method used in this research is to look for the height of the systolic and diastolic amplitude of the Photopletysmograph PPG signal and use the peak-to-peak voltage Vpp to implement Beer Lambert's law. This method was tested on 54 people, randomly aged 26-89 years, with normal blood sugar to high blood sugar. The results show an error of 18.37% from the gold standard. In conclusion, the use of the PPG signal decoding method has proven to be significant in producing blood sugar values. Furthermore, this method was developed for real-time remote measurements via wearable sensor devices. Identification (biology) ; Decoding methods ; SIGNAL (programming language) ; Blood sugar ; Sugar ; Computer science ; Internal medicine ; Medicine ; Diabetes mellitus ; Biology ; Algorithm ; Biochemistry ; Endocrinology ; Botany Spectroscopy and Chemometric Analyses
Authors: Fatima Rodriguez-macadaeg | Paul R. Armstrong | Elizabeth B. Maghirang | Erin D. Scully | Daniel Brabec | Frank H. Arthur | Maria Arlene Adviento‐Borbe | Kevin F. Yaptenco | Delfin C. Suministrado
Source: Sensors (article, 2024-06-21)
Field: Chemistry — Analytical Chemistry

Developing a Multi-Spectral NIR LED-Based Instrument for the Detection of Pesticide Residues Containing Chlorpyrifos-Methyl in Rough, Brown, and Milled Rice A recent study showed the potential of the DA Perten 7200 NIR Spectrometer in detecting chlorpyrifos-methyl pesticide residue in rough, brown, and milled rice. However, this instrument is still lab-based and generally suited for point-of-sale testing. To provide a field-deployable version of this technique, an existing light emitting diode (LED)-based instrument that provides discrete NIR wavelength illumination and reflectance spectra over the range of 850-1550 nm was tested. Spectra were collected from rough, brown, and milled rice at different pesticide concentrations and analyzed for quantitative and qualitative measurement using partial least squares regression (PLS) and discriminant analysis (DA). Simulations for two LED-based instruments were also evaluated using corresponding segments of spectra from the DA7200 to represent LED illumination. For the simulation of the existing LED-based instrument (LEDPrototype1) fitted with 850, 910, 940, 970, 1070, 1200, 1300, 1450, and 1550 nm LED wavelengths, resulting R<sup>2</sup> ranged from 0.52 to 0.71, and the correct classification was 70.4% to 100%. The simulation of a second LED instrument (LEDPrototype2) fitted with 980, 1050, 1200, 1300, 1450, 1550, 1600, and 1650 nm LED wavelengths showed R<sup>2</sup> of 0.59 to 0.82 and correct classifications of 66% to 100%. These LED wavelengths were selected based on the significant wavelength regions from the PLS regression coefficients of DA7200 and the commercial availability of LED wavelengths. Results showed that it is possible to use a multi-spectral LED-based instrument to detect varying levels of chlorpyrifos-methyl pesticide residue in rough, brown, and milled rice. Chlorpyrifos ; Pesticide ; Pesticide residue ; Brown rice ; Environmental chemistry ; Chemistry ; Environmental science ; Food science ; Biology ; Agronomy Spectroscopy and Chemometric Analyses ; Pesticide Residue Analysis and Safety ; Water Quality Monitoring and Analysis
Authors: Xiantang Zhang | Rongyan Ma | Yong Yang | Tonghua Fu | Yanzhong Tian | Haibo Yan | Deqing Wang | X.Y. Jiao | Hongmin Zhou
Source: Buildings (article, 2024-12-22)
Field: Materials Science — Materials Chemistry

Study on the Influence of Notched Empty Hole Parameters on Directional Fracture Blasting Effect Placing empty holes between charging holes is widely used in blasting engineering to achieve directional fracture blasting. Studies have shown that the presence of a notch along the empty hole wall enhances stress concentration and supports improved control over crack propagation. The notch angle and length are the two main parameters influencing the impact of notch holes. Therefore, in this study, we used numerical simulations to investigate how varying notch angles and lengths influence the directional fracture blasting effect. The findings suggest that, among the different types of holes used in directional fracture rock blasting, notched empty holes have the most significant guiding effect, followed by empty holes, while the absence of empty holes yields the least effective results. In the directional fracture blasting of a notched empty hole, stress concentration occurs at the notch tip following the explosion. This alters the stress field distribution around the empty hole, which shifts from a compressive to a tangential tensile state. Additionally, this concentration of stress causes the explosion energy to be focused on that location, resulting in a directional fracture blasting effect. In blasting construction, selecting the appropriate notch hole parameters is necessary to achieve optimal effects and reduce damage to surrounding rocks. Based on the notch parameters assessed in this study, the optimal effect of directional fracture blasting is achieved when the notch angle is 30°. Rock blasting ; Fracture (geology) ; Materials science ; Structural engineering ; Composite material ; Engineering ; Geotechnical engineering High-Velocity Impact and Material Behavior ; Fatigue and fracture mechanics ; Structural Response to Dynamic Loads
Authors: Klaus Mathwig
Source: arXiv (Cornell University) (preprint, 2024-10-15)
Field: Chemistry — Physical and Theoretical Chemistry

AI-driven random walk simulations of viscophoresis and visco-diffusiophoretic particle trapping Viscophoresis refers to the transport of suspended nanoparticles driven by a steep viscosity gradient. This work investigates this new transport effect using a random walk simulation. By modelling position-dependent Brownian motion, viscophoresis, and diffusiophoresis in a one-dimensional geometry, the simulation yields results that align well with experimental data, demonstrating viscophoresis as a new phoretic transport mechanism. Additionally, the simulation predicts the efficient separation of nanoparticles based on size, suggesting potential applications for sorting in microfluidic systems. The Python script for the simulation was generated using ChatGPT o1, significantly accelerating model development and providing accurate physical insights and efficient equations. However, caution is advised, as ChatGPT may generate non-physical results; iterative testing and validation is important. Random walk ; Trapping ; Viscoelasticity ; Particle (ecology) ; Statistical physics ; Physics ; Mathematics ; Geology ; Geography ; Statistics ; Thermodynamics Electrostatics and Colloid Interactions ; Microfluidic and Bio-sensing Technologies ; Nanopore and Nanochannel Transport Studies
Authors: Anaelle Hertz | Aaron Z. Goldberg | Khabat Heshami
Source: Physical review. A/Physical review, A (preprint, 2024-07-01)
Field: Materials Science — Materials Chemistry

Quadrature coherence scale of linear combinations of Gaussian functions in phase space The quadrature coherence scale (QCS) is a recently introduced measure that was shown to be an efficient witness of nonclassicality. It takes a simple form for pure and Gaussian states, but a general expression for mixed states tends to be prohibitively unwieldy. In this paper we introduce a method for computing the quadrature coherence scale of quantum states characterized by Wigner functions expressible as linear combinations of Gaussian functions. Notable examples within this framework include cat states, Gottesman-Kitaev-Preskill states, and states resulting from Gaussian transformations, measurements, and breeding protocols. In particular, we show that the quadrature coherence scale serves as a valuable tool for examining the scalability of nonclassicality in the presence of loss. Our findings lead us to put forth a conjecture suggesting that, subject to 50% loss or more, all pure states lose any QCS-certifiable nonclassicality. We also consider the quadrature coherence scale as a measure of quality of the output state of the breeding protocol. Coherence (philosophical gambling strategy) ; Gaussian ; Mathematics ; Scale (ratio) ; Quadrature (astronomy) ; Statistical physics ; Phase coherence ; Linear scale ; Mathematical analysis ; Physics ; Applied mathematics ; Statistics ; Optics ; Geography ; Geodesy ; Quantum mechanics Structural mechanics and materials ; Thermoelastic and Magnetoelastic Phenomena
Authors: Rodrigo M. S. de Oliveira | Thiago S. de Lima | Júlio A. S. do Nascimento | Gustavo G. Girotto
Source: Energies (article, 2024-04-09)
Field: Materials Science — Materials Chemistry

Modeling Time-Evolving Electrical Conductivity in Air Ionization Plasma under DC Voltage: A Finite-Difference Time-Domain Approach for Needle-Plate Setup Based on Laboratory Experiments In this paper, we develop a finite-difference time-domain (FDTD) model in which the time-evolving electrical conductivity of the air ionization plasma in DC voltage needed-plate setup is represented. Maxwell’s equations are solved using the FDTD method, and the associated currents and discharge fields are computed over time and in three-dimensional space. The proposed model for the electrical conductivity is dependent on time, the applied DC voltage, and the gap length. The necessary data for developing the proposed model is obtained experimentally using a standard discharge needle, with its spherical tip measuring approximately 40 μm in diameter. Once high voltage is applied, a steady state is achieved. The electrical conductivity σ(t) and its associated parameters are then calculated using nonlinear equations proposed to reproduce the experimentally obtained plasma behavior in the full-wave FDTD model. Voltage ranges from 4 kV to 9 kV, and gap distances are between 4 mm and 8 mm. Plasma ; Ionization ; Voltage ; Time domain ; Mechanics ; Electrical resistivity and conductivity ; Conductivity ; Materials science ; Electrical engineering ; Computer science ; Engineering ; Physics ; Ion High voltage insulation and dielectric phenomena ; Electrostatic Discharge in Electronics ; Lightning and Electromagnetic Phenomena
Authors: Diogo Gonzaga Marcelo | Clailton Leopoldo da Silva | Rafael Martins | Júlio Cezar Oliveira Castioni | Germano Lambert‐Torres | Ronny Francis Ribeiro | Mateus Mendes Campos | Isac Antônio dos Santos Areias | Frederico de Oliveira Assunção | Luiz Eduardo Borges da Silva
Source: Brazilian Archives of Biology and Technology (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Traveling Wave-Based Fault Location for Gas Insulated Substations HIGHLIGHTS A faulty simulation laboratory was development to simulate faults in gas insulated substations. A comprehensive study was carried out to select the best sensors and data analysis capabilities to treat the problem. The traveling waves theory is used to locate the position of a fault in the pipes. The results show the effectiveness of the fault location system. Fault (geology) ; Traveling wave ; Position (finance) ; Computer science ; Engineering ; Geology ; Seismology ; Mathematics ; Business High voltage insulation and dielectric phenomena ; Power Systems Fault Detection ; Power Transformer Diagnostics and Insulation
Authors: Kyung-Hwak Yoon | Hyosub Chu | Hyeonji Kim | Sunghyun Huh | Eun‐Kyu Kim | Un‐Beom Kang | Hee-Chul Shin
Source: Annals of Surgical Treatment and Research (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Comparative profiling by data-independent acquisition mass spectrometry reveals featured plasma proteins in breast cancer: a pilot study The findings suggest that plasma proteome profiling can reveal potential diagnostic biomarkers for breast cancer and may contribute to early detection and personalized treatment strategies. A further validation study with a larger sample cohort of breast cancer patients is planned. Breast cancer ; Proteome ; Oncology ; Cancer ; Cancer research ; Biology ; Cancer biomarkers ; Internal medicine ; Medicine ; Bioinformatics Advanced Proteomics Techniques and Applications ; Ubiquitin and proteasome pathways ; Peptidase Inhibition and Analysis