jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Izzah Wadhihah Zulkarnain | Wan Fazlida Hanim Abdullah | Ili Shairah Abdul Halim | Muhammad Izzat Alif Muslan
Source: International Journal of Advances in Applied Sciences (article, 2024-07-19)
Field: Chemistry — Electrochemistry

Effect of spacing, concentration of NaCl solution, and biasing of graphite electrodes towards conductometric sensor response An electrical conductivity (EC) sensor is a conductometric sensor used to measure a solution's ability to transmit electrical charges. However, EC sensing accuracy and stability are not consistent due to many factors, such as gap spacing between electrodes, concentration of the solution, and electrical biassing. This study investigates the influence of the gap spacing between electrodes, the concentration of the solution, frequency, and voltage input applied to the EC sensor electrode on EC sensor measurement and provides insights into the relationship between these parameters and the sensor's performance using the voltage divider rule which is the simpler way to measure the conductivity of the solution. From this investigation, gap spacing between the electrodes, the concentration of the solution, frequency below 50 Hz, and voltage input have been found to directly affect the EC sensor measurement. However, there is no significant change in EC sensor measurement regarding the frequency applied to graphite electrodes when the frequency is above 50 Hz. The findings of this study highlight the complex interplay between the physical setup parameters and EC sensor measurement. Electrode ; Materials science ; Voltage ; Electrical resistivity and conductivity ; Conductivity ; Analytical Chemistry (journal) ; Graphite ; Biasing ; System of measurement ; Measure (data warehouse) ; Optoelectronics ; Electrical engineering ; Chemistry ; Chromatography ; Composite material ; Physics ; Engineering ; Computer science Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Non-Destructive Testing Techniques
Authors: Jean‐Michel Roger | Alessandra Biancolillo | Bénédicte Favreau | Federico Marini
Source: Chemometrics and Intelligent Laboratory Systems (article, 2024-08-29)
Field: Chemistry — Analytical Chemistry

G-CovSel: Covariance oriented variable clustering Dimensionality reduction is an essential step in the processing of analytical chemistry data. When this reduction is carried out by variable selection, it can enable the identification of biochemical pathways. CovSel has been developed to meet this requirement, through a parsimonious selection of non-redundant variables. This article presents the g-CovSel method, which modifies the CovSel algorithm to produce highly complementary groups containing highly correlated variables. This modification requires the theoretical definition of the groups' construction and of the deflation of the data with respect to the selected groups. Two applications, on two extreme case studies, are presented. The first, based on near-infrared spectra related to four chemicals, demonstrates the relevance of the selected groups and the method's ability to handle highly correlated variables. The second, based on genomic data, demonstrates the method's ability to handle very highly multivariate data. Most of the groups formed can be interpreted from a functional point of view, making g-CovSel a tool of choice for biomarker identification in omics. Further work will be carried out to generalize g-CovSel to multi-block and multi-way data. • The CovSel algorithm has been extended to g-CovSel, in order to select groups of variables linked to multiple responses. • g-CovSel produces highly complementary groups containing highly correlated variables. • CovSel algorithm has been extended to g-CovSel, to select groups of variables linked to multiple responses. • g-CovSel appears as a promising tool for biochemical pathway identification. Cluster analysis ; Covariance ; Variable (mathematics) ; Computer science ; Mathematics ; Statistics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Smart Agriculture and AI
Authors: Feng Zhou | Jicheng Yu | Xiaodong Yin | Changxi Yue | Siyuan Liang
Source: IEEE Access (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Mid-Infrared Hollow-Core Waveguide Gas Sensor for Low-Concentration Sulfur Hexafluor Detection Sulfur hexafluoride gas (SF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> ) is widely used in various electrical insulating equipment in the electric power industry. In this paper, a novel mid-infrared hollow-core fiber (HCF) gas sensor based on infrared spectral absorption is proposed for low-concentration SF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> leakage detection. The fiber was coupled with the mid-infrared source and detector directly through a mechanical process interface. With a narrow filter, target gas absorption band light was filtered out. The optimal length of the optical fiber is derived by theoretical modeling and optimization solutions. The experimental results show that the sensor has sub-ppm measurement limitation for SF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> gas by utilizing a Lab-view-based digital dual-phase lock-in amplifier. The calibration results of SF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> standard gas at concentrations of 0.5ppm, 2.45ppm, 4.9ppm, and 9.92ppm show that the detection error of the sensor is less than 1%. Repeatability test results show the sensor can achieve high stability and low zero drift. It provides a compact and low-cost solution for low-concentration SF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> detection in the environment. Infrared ; Analytical Chemistry (journal) ; Detector ; Materials science ; Physics ; Optics ; Chemistry ; Chromatography Spectroscopy and Laser Applications ; Advanced Fiber Optic Sensors ; Photonic and Optical Devices
Authors: Laurine Lagache | Yanis Zirem | Émilie Le Rhun | Isabelle Fournier | Michel Salzet
Source: Research Square (preprint, 2024-04-26)
Field: Chemistry — Spectroscopy

Prediction of protein pathways by correlation of spatial lipidomic and proteomics : towards the concept of dry proteomics applied to human Glioblastoma for patient prognosis Proteomics ; Glioblastoma ; Computational biology ; Correlation ; Computer science ; Bioinformatics ; Biology ; Cancer research ; Mathematics ; Biochemistry ; Gene Advanced Proteomics Techniques and Applications ; Machine Learning in Bioinformatics ; Metabolomics and Mass Spectrometry Studies
Authors: Samiksha Bajaj | Shang‐Jui Chiu | Jingzhong Chen | Paul Albert L. Sino | Chih‐Wen Yang | Chieh‐Ting Chen | Ing‐Shouh Hwang | Yan‐Gu Lin | Ying‐Hao Chu | Yu‐Lun Chueh | Jyh Ming Wu
Source: Small (article, 2024-12-29)
Field: Materials Science — Polymers and Plastics

Quantitative Study of Reversible Nonvolatile VO<sub>2</sub> Thin Films Through Plasma Driven Phase Engineering Process The nanoscale control of phase transition in correlated materials offers significant insight into phase transition dynamics for the advancement of future nanoelectronics devices. This study explores the phase transition phenomenon in vanadium dioxide (VO<sub>2</sub>), focusing on the heterogeneous phases evolved after low-pressure plasma irradiation on VO<sub>2</sub> thin films, a strong electron-correlated material. The modulation in the Argon (Ar) plasma power reveals the formation of homogeneous and heterogeneous phases with variable resistive states at room temperature. High-resolution transmission electron microscopy (HRTEM) is observed with the change in interplanar spacing revealing monoclinic (M1) at 0W, monoclinic-tetragonal rutile (phase coexistence, M1-R) at 50W, and tetragonal rutile (R) at 90W. Dielectric force microscopy (DFM) shows distinct dielectric responses corresponding to different phases, characterized by potential differences of 3 mV (M1), 5 mV (M1-R), and 7.44 mV (R) phases. The coexistence of M1-R phase is stabilized and examined at room temperature, with variations in the charge carrier density observed relative to M1 and R phases individually. The phase change in VO<sub>2</sub> is found to be reversible, enabling stable resistive states even after the plasma is removed. The changes in plasma geometry help find and stabilize unstable phases, which can be useful in nanoelectronics. Materials science ; Monoclinic crystal system ; Tetragonal crystal system ; High-resolution transmission electron microscopy ; Nanoelectronics ; Phase (matter) ; Transmission electron microscopy ; Phase transition ; Dielectric ; Chemical physics ; Nanotechnology ; Analytical Chemistry (journal) ; Condensed matter physics ; Optoelectronics ; Crystallography ; Crystal structure ; Chemistry Transition Metal Oxide Nanomaterials ; Advanced Memory and Neural Computing ; Gas Sensing Nanomaterials and Sensors
Authors: Tsvetelina Georgieva | Petya Veleva | Stefka Atanassova | Plamen Daskalov
Source:  (article, 2024-08-06)
Field: Chemistry — Analytical Chemistry

Indirect Determination of Basic Tomato Quality Parameters Using Color Digital Images The indirect determination of basic tomato quality parameters using color digital images is presented in the paper. A database of images of tomatoes of the Clarosa variety was formed. The six main chemical parameters, dry matter, ascorbic acid, titratable organic acids, total dyes, lycopene, and beta-carotene, were measured as referent values. Image processing techniques were used for the extraction of the color components, to remove the background, and for color spaces transformation. The values of the color components of four color models, RGB, HSV, XYZ, and Lab, were obtained in the MATLAB environment. Statistical approaches were used for assessing the relation between the main chemical parameters of tomatoes and the color components. The results of the correlation analysis showed that there were the following relationships between the color components and the chemical indicators: the dry substance had a moderate dependence with R(RGB), S(HSV), and b(Lab) and a significant dependence with H(HSV) and a(Lab); the ascorbic acid substance had a moderate dependence with H(HSV), S(HSV), and a(Lab); the titratable organic acids had a moderate dependence with S(HSV) and b(Lab); a significant dependence was found with R(RGB), and a strong dependence was found with V(HSV), L(Lab), a(Lab), X(XYZ), and Y(XYZ); the general dyes had a significant dependence with H(HSV), S(HSV), and a(Lab); the lycopene had a significant dependence with H(HSV), S(HSV),a and a(Lab); the beta-carotene had a significant dependence with R(RGB), G(RGB), B(RGB), V(HSV), L(Lab), X(XYZ), Y(XYZ), and Z(XYZ). The obtained results showed that the chemical composition values of tomatoes could be predicted with polynomial regression models that use color components from the HSV and Lab models: dry matter-H(HSV); ascorbic acid-H(HSV); titratable organic acids-a(Lab); general dyes-H(HSV), S(HSV), and a(Lab); lycopene-H(HSV), S(HSV), and a(Lab). For the determination of beta-carotene, it is necessary to use more than one color component to obtain mathematical models with a higher coefficient of determination. The obtained results are a prerequisite for this approach to be used in the automated systems for evaluating the quality of tomatoes in the harvesting process. Computer science ; Computer vision ; Quality (philosophy) ; Artificial intelligence ; Physics Spectroscopy and Chemometric Analyses ; Leaf Properties and Growth Measurement ; Advanced Measurement and Detection Methods
Authors: Yaya Yang | Yan Zhang | Xingjiao Zhou | Jian Zhao | Hao Bao | Renshuai Huang
Source: Journal of the Science of Food and Agriculture (article, 2024-05-24)
Field: Chemistry — Analytical Chemistry

Thermal image evaluation of crop diseases in the incubation period Evaluation parameters such as temperature uniformity U and variation coefficient C can be used to effectively characterize the presymptomatic features of pepper early blight by infrared thermography during the incubation period. The results of the present study can provide a reference for the detection of crop diseases in the incubation period. © 2024 Society of Chemical Industry. Thermography ; Incubation period ; Pepper ; Blight ; Horticulture ; Infrared ; Coefficient of variation ; Inoculation ; Incubation ; Yield (engineering) ; Materials science ; Biology ; Chemistry ; Optics ; Composite material ; Chromatography ; Physics Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Microbial Inactivation Methods
Authors: Tsung-Han Liu | Masanari Okuno
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Chemistry — Spectroscopy

TMAO perturbs intermolecular vibrational motions of water revealed by low-frequency modes Trimethylamine <i>N</i>-oxide (TMAO) as a representative natural osmolyte has received much attention because of its unique properties, including enhancement of hydrogen bonding networks in liquid water and stabilization of three-dimensional structures of proteins in living organisms. As a hydrogen bond maker and/or a protein stabilizer, its hydrated structures and orientation dynamics in aqueous solutions have been investigated by various spectroscopic methods. Particularly, distinct from other natural osmolytes, it has been found that TMAO molecules form complexes with water molecules even at low concentrations, showing extraordinarily long lifetimes and much larger effective dipole moments. In this study, we demonstrated that collective motions of water molecules are closely correlated to TMAO molecules, as revealed by the changes of the librational modes observed in hyper-Raman (HR) spectra in the low-frequency region (<1000 cm<sup>-1</sup>) for the first time. Based on HR spectra of the TMAO solutions at submolar concentrations, we observed that the librational bands originating from water apparently upshift (∼15 cm<sup>-1</sup>) upon the addition of TMAO molecules. Compared to the OH stretching band of water showing a negligible downshift (<5 cm<sup>-1</sup>), the librational bands of water are more sensitive to reflect changes in the hydrogen bonding networks in the TMAO solutions, suggesting formation of transient TMAO-water complexes plays an essential role toward surrounding water molecules in perturbing their librational motions. We expect to provide a supplementary approach to understand that water molecules in TMAO aqueous solutions are strongly affected by TMAO molecules, different from other osmolytes. Intermolecular force ; Trimethylamine ; Chemical physics ; Molecular vibration ; Low frequency ; Chemistry ; Molecular physics ; Computational chemistry ; Physics ; Nuclear magnetic resonance ; Molecule ; Organic chemistry Molecular Spectroscopy and Structure ; Spectroscopy and Quantum Chemical Studies ; Quantum, superfluid, helium dynamics
Authors: Muralikrishnan Gopalakrishnan Meena | Gopalakrishnan Chellappan | S. G. Patil | Santosha Rathod | Kamalakannan Ayyanar | R. Jagadeeswaran | Sathyamoorthy Nagaranai Karuppasamy | S. Manonmani
Source: AgriEngineering (article, 2024-11-19)
Field: Chemistry — Analytical Chemistry

Climate-Based Prediction of Rice Blast Disease Using Count Time Series and Machine Learning Approaches Magnaporthe oryzae, the source of the rice blast, is a serious threat to the world’s rice supply, particularly in areas like Tamil Nadu, India. In this study, weather-based models were developed based on count time series and machine learning techniques like INGARCHX, Artificial Neural Networks (ANNs), and Support Vector Regression (SVR), to forecast the incidence of rice blast disease. Between 2015 and 2023, information on rice blast occurrence was gathered weekly from three locations (Thanjavur, Tirunelveli, and Coimbatore), together with relevant meteorological data like temperature, humidity, rainfall, sunshine, evaporation, and sun radiation. The associations between the occurrence of rice blast and environmental factors were investigated using stepwise regression analysis, descriptive statistics, and correlation. Mean Squared Error (MSE) and Root Mean Squared Error (RMSE) were used to assess the model’s prediction ability. The best prediction accuracy was given by the ANN, which outperformed SVR and INGARCHX in every location, according to the results. The complicated and non-linear relationships between meteorological variables and disease incidence were well-represented by the ANN model. The Diebold–Mariano test further demonstrated that ANNs are more predictive than other models. This work shows how machine learning algorithms can improve the prediction of rice blast, offering vital information for early disease management. The application of these models can help farmers make timely decisions to minimize crop losses. The findings suggest that machine learning models offer promising potential for accurate disease forecasting and improved rice management. Blast disease ; Series (stratigraphy) ; Time series ; Computer science ; Machine learning ; Artificial intelligence ; Geology ; Biology Spectroscopy and Chemometric Analyses ; Stock Market Forecasting Methods
Authors: Bushra .M. Alattab | Fares Abdullah Alarbagi | Maher Ali Al-Maqtari | Entesar Alhuraishi | Hussein M.A. Al-Maydama
Source: Eclética Química (article, 2024-09-17)
Field: Chemistry — Analytical Chemistry

Development and validation of a green spectrophotometric method for simultaneous determination of combined pharmaceutical dosage form (paracetamol and caffeine) using chemometrics technique in comparison with HPLC A green analytical method, a simple, fast, and cost-effective simultaneous spectrophotometric method using two chemometric techniques, the partial least square regression (PLS) and principal component regression (PCR), for determining a combination of paracetamol and caffeine in pharmaceutical formulations was developed. Pretreatment and separation steps are not required in the proposed method. For model construction and validation, various drug concentrations and instrumental spectra of 25 mixed solutions of paracetamol and caffeine were analyzed. The UV analysis of the prepared mixtures was recorded for a selected solvent blank in the wavelength range of 210-300 nm. The digitized absorbance was sampled at 0.2-nm intervals. R2 values of 0.9993 and 0.9994 assigned for the PLS of paracetamol and caffeine and 0.9995 and 0.9991 for the PCR of paracetamol and caffeine, respectively, exhibited greater prediction efficiencies. The obtained results were statistically compared with the results of the HPLC reference method. Concerning accuracy and precision, the statistical comparison revealed no significant differences between the suggested and reference HPLC approaches. Chemometrics ; Chromatography ; Caffeine ; Chemistry ; High-performance liquid chromatography ; Medicine Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Electrochemical sensors and biosensors
Authors: Nurul Azarima Mohd Ali | Nur Azira Tukiran | Raihanah Roslan
Source: Malaysian Journal of Science and Advanced Technology (review, 2024-03-18)
Field: Chemistry — Analytical Chemistry

Authenticating Edible Oils Using Fourier Transform Infrared Spectroscopy: A Review Oil authentication has been widely discussed in recent years. One of the issues is the usage of gutter oil. This happened in China where many of the street foods were prepared using oils from sewage, gutters, and restaurant fryers. Other concerning issues including the adulteration of high-quality edible oils with cheaper oils and fresh palm oil with recycled cooking oil are common problems related to oil fraud. This may provoke the safety and the rights of public consumers. Hence, advanced, efficient, and rapid technology such as Fourier Transform Infrared Spectroscopy (FTIR) is needed to overcome the limitations of other technologies such as differential scanning calorimetry (DSC), gas chromatography-mass spectrometry (GC-MS) and high-performance liquid chromatography (HPLC) in analysing edible oils’ quality parameters, authentication, safety, stability and in foods related to oils. This review discusses the uses of FTIR in the analysis of edible oils and their authentication. Fourier transform infrared spectroscopy ; Infrared ; Fourier transform spectroscopy ; Fourier transform ; Spectroscopy ; Infrared spectroscopy ; Materials science ; Analytical Chemistry (journal) ; Chemistry ; Physics ; Optics ; Environmental chemistry ; Organic chemistry ; Astronomy Spectroscopy and Chemometric Analyses ; Edible Oils Quality and Analysis ; Advanced Chemical Sensor Technologies
Authors: Mohamed A. Hasabala | Ashraf Zeitoun | Sobhy Elsehemy | Mohamed A. Ismail
Source: Alexandria Science Exchange Journal (article, 2024-10-22)
Field: Materials Science — Biomaterials

Impact of Active Packaging Film with Natural Plant Extracts on the Quality and Safety of Chilled Poultry Meat Poultry meat remains the most popular around the world. The total phenolic and flavonoid contents of pomegranate peel powder (PPP), paprika powder (PP) and guava leaves extract (GE( were determined. Active packaging enables the interaction between the packaging, the food product and the internal and external environments to improve the food quality and safety of the food product. Fresh chicken legs were treated with active packaging films of pomegranate peel powder (PPP) and paprika powder (PP) (2%PPP+1%PP; 3%PPP+1%PP; 3%PPP+2%PP and 3%PPP+3%PP). Microbiological quality, TVBN and pH were assessed during refrigerated storage at 4°C. Results showed that Pomegranate peel exhibits the highest levels of both phenolic and flavonoid contents, indicating its potential as a rich source of bioactive compounds. Paprika powder extract, characterized by a moderate phenolic content of 220.83 ± 3.06 mg/g and a concurrent flavonoid content of 153.38±2.40 mg/g, reflects a balance of antioxidant constituents to be used in active packaging film. The results indicated that psychotropic aerobic bacteria; Enterobacteriaceae; Yeast; and TVBN were strongly inhibited by all active packaging film applied. The highest inhibition was observed with active packaging film of 3%PPP+3%PP. A reduction in pH values was observed by all the active packaging films as compared with blank chicken samples. Chicken legs packed in active film of 2%PPP+1%PP or 3%PPP+1%PP could be refrigerated safely for 8 and 9 days respectively, as compared to 6 days for blank samples. Increasing pomegranate peel powder (PPP) and paprika powder (PP) concentration to 3% PPP + 2%, PP and 3%PPP+3%PP in the active packaging film will increase the shelf life to 10 and 12 days, correspondingly. The results indicated that packaging fresh poultry in the active film of pomegranate peel powder (PPP) and paprika powder (PP) would enhance safety, and quality and prolong the shelf life of poultry meat during storage at 4°C. Active packaging ; Quality (philosophy) ; Poultry meat ; Food science ; Food packaging ; Natural (archaeology) ; Business ; Environmental science ; Waste management ; Engineering ; Chemistry ; Biology Nanocomposite Films for Food Packaging ; Food Science and Nutritional Studies