jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Chaorai Kanchanomai | Parichat Theanjumpol | Phonkrit Maniwara | Sila Kittiwachana | Sujitra Funsueb | Shintaroh Ohashi | Daruni Naphrom
Source: MethodsX (article, 2025-01-11)
Field: Chemistry — Analytical Chemistry

NIRS as an alternative method for table grapes Seedlessness sorting Seedlessness in table grapes is a desirable trait for consumers. Plant growth regulators (PGRs) have been extensively utilized to induce seedlessness. However, the efficacy of these PGRs is not uniformly successful. In addition, the seedlessness is difficult to detect by cutting and counting technique. The shortwave-near infrared spectroscopy (SW-NIRS), coupled with suitable chemometric analysis, is a non-destructive method for sorting and prediction of seedlessness grapes. The NIRS is higher efficiency than original technique in term of accuracy, measuring time and waste reduction.•The SW-NIR spectra of 240 grape berries were recorded. Each reflectance spectrum was acquired in the wavenumber of 3996-12,489 cm<sup>-1</sup>. After that all grape berries were cut and count for seedlessness sorting.All spectral together with seedlessness sorting were be analysis by chemometrics.•The NIR spectral data were analyzed using principal component analysis (PCA). In addition, supervised self-organizing map (SSOM) and quadratic discriminant analysis (QDA) were applied to classify the seedlessness.•The PCA results represented a negative tendency to classify the seedlessness. Clear classification tendency can be obtained from SOMs. Good predictive results from SSOM were obtained, as it gave a percentage correctly classified of 97.14 and 94.64% for training and test sample sets, respectively. Sorting ; Table (database) ; Computer science ; Computational biology ; Information retrieval ; Chromatography ; Remote sensing ; Chemistry ; Biological system ; Biology ; Data mining ; Algorithm ; Geography Spectroscopy and Chemometric Analyses ; Fermentation and Sensory Analysis ; Horticultural and Viticultural Research
Authors: H. S. Patel | Frans van den Berg | Jens Petter Wold | Søren Balling Engelsen
Source: Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (article, 2025-06-19)
Field: Chemistry — Analytical Chemistry

Quantifying anisotropy in mozzarella cheese using spatially resolved shortwave NIR spectroscopy The anisotropic structure of Mozzarella cheese governs its texture and functionality in applications such as pizza. The pasta-filata process that forms a fibrous protein network creates anisotropy in Mozzarella. Variations in cooker-stretcher parameters, including temperature, rotor speed, and additives, affect the anisotropy and consequently the functional properties of Mozzarella. The traditional mechanical testing methods, although informative in assessing texture, do not describe the relation between macroscopic properties and molecular-level structural arrangements. This study presents a novel approach utilizing spatially resolved shortwave near-infrared spectroscopy (SW-NIRS, 761-1081 nm) to characterize and quantify anisotropy in Mozzarella cheese. Nineteen designed Mozzarella samples were analyzed using two experimental setups. The first was a two-axis orthogonal measurement, where spectra were collected by measuring along two orthogonal sample axes corresponding to protein fibers aligned parallel and perpendicular to the light path. The second was a spinning setup, in which samples were placed on a rotating disc, and spectra were continuously collected over four complete 360° rotations within 40 s. Spectral data were acquired over five different distances from the illumination. Spectral variation, scattering, and absorbance were quantified using multiplicative scatter correction parameters and regression analysis, demonstrating a high correlation between anisotropy and optical measurements (r<sup>2</sup> = 0.81). Spatially resolved SW-NIRS thus provides a rapid, non-destructive tool for evaluating the structure-function relationship in Mozzarella cheese, with potential applicability to other food systems exhibiting significant anisotropic structures. Chemistry ; Mozzarella cheese ; Shortwave ; Anisotropy ; Offset (computer science) ; Spectroscopy ; Food science ; Optics Spectroscopy and Chemometric Analyses ; Probiotics and Fermented Foods ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Karan Martens Mohanta | Tapan Kumar Mohanta
Source: BMC Genomics (article, 2025-11-28)
Field: Chemistry — Spectroscopy

Meltome Atlas of Arabidopsis thaliana proteome: a melting temperature-based identification of heat and cold resistant proteins using in-silico approach The study reflected the evolution of high Tm-adapting genes through gene duplication, highlighting the role of gene and genome evolution towards encoding high Tm proteins for stress resilience. Gene ; Arabidopsis thaliana ; Genome ; Proteomics ; DNA microarray ; Cold stress ; Atlas (anatomy) ; Arabidopsis Advanced Proteomics Techniques and Applications ; Heat shock proteins research ; Diatoms and Algae Research
Authors: Hany M. Zamel | Eman M. Eldesouki | Ahmed M. Attiya
Source: Optical and Quantum Electronics (article, 2025-05-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Polarization dependent anomalous reflecting metasurface Abstract This paper presents a design of a dual-polarized metasurface reflecting surface that reflects TE and TM polarized waves at two different angles. The reflection angles are controlled by modulating the surface impedance on the reflecting surface. This modulated-surface-impedance reflecting surface is implemented by periodic super cells metasurfaces. The super cell is implemented as an array of periodic elements with gradually changing geometry to introduce the required surface-impedance modulation. Electromagnetic responses of the modulated impedance metasurface are established through a combination of Floquet mode expansion theory and numerical optimization technique. The surface impedance is optimized by using a genetic algorithm to introduce the required angles of reflection for both TE and TM waves. Radar cross-section simulations are carried out to explore the anomalous reflection characteristics. The synthesis method is verified by manufacturing and experimentally validating a model design. Polarization (electrochemistry) ; Optics ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Wireless Communication Technologies
Authors: Yarema Okhrin | Vasil Petruk | Wolfgang Schmid
Source: Computational Statistics (article, 2025-07-03)
Field: Chemistry — Analytical Chemistry

Monitoring time dependent image processes for detecting shifts in pixel intensities Abstract The problem of shift detection in image processes is addressed in this study. It is assumed that the pixel intensities follow a spatial autoregressive process, and potential shifts manifest in average intensities. The objective is to detect shifts as quickly as possible after their occurrence. To accommodate high-resolution images, a scalable technique is suggested, focusing on the surveillance of regions of interest. For shift detection, multivariate exponentially weighted moving average (EMWA) control schemes and various types of control statistics are employed. The efficiency of the proposed unique approach is demonstrated through an extensive simulation study. Additionally, recommendations for practitioners are provided regarding the selection of the chart, its setup, and calibration. Pixel ; Image (mathematics) ; Artificial intelligence ; Computer vision ; Pattern recognition (psychology) ; Computer science ; Mathematics Spectroscopy and Chemometric Analyses ; Advanced Statistical Process Monitoring ; Scientific Measurement and Uncertainty Evaluation
Authors: Mirela Blaga | Neculai Eugen Seghedin | Mihăiţă Horodincă | Cristina Grosu | H. Gaaloul | Amel Babay | Soufien Dhouib | Béchir Azouz
Source: Materials (article, 2025-01-21)
Field: Materials Science — Polymers and Plastics

Behaviour of Knitted Materials in a Vibrating Environment The energy generated by the impact of vibrations from industrial tools or ongoing activities can be transmitted to humans and cause various injuries. Knitted materials can be considered as parts of anti-vibration equipment as they have proven their ability to absorb shocks. In this study, six spacer knitted fabrics consisting of two outer layers of cotton yarns (Nm 1/50 and Nm 1/40) and cashmere yarns (Nm 2/56) connected by PES monofilaments with a diameter of 0.08 mm were tested. To date, the use of natural yarns in the outer layers of spacer fabrics used in environments subject to vibration has been less studied. The first part of the experiments deals with the measurement of the natural frequencies of the materials, which were determined using the free vibration method. The results show that the direction of the experiment, the yarn count, the stitch density, and the thickness of the material influence the value of the natural frequencies. These values are relevant in order to avoid undesirable resonances that occur when the excitation frequency of an external system overlaps with the natural frequency of the material. In the second part, the vibration transmissibility was simulated using a vibration system with one degree of freedom. The fabrics composed of cotton yarns Nm 1/50 had the highest damping capacity and the highest specific damping coefficient and the lowest value for vibration transmission, which make them recommendable for protective materials. Vibration ; Transmissibility (structural dynamics) ; Materials science ; Natural frequency ; Composite material ; Natural materials ; Structural engineering ; Acoustics ; Vibration isolation ; Engineering ; Physics Textile materials and evaluations ; Structural Analysis and Optimization ; Natural Fiber Reinforced Composites
Authors: Lucas F. Voges | Nils Horn | Giovanni Ciotti | Stephan Seifert
Source: Chemosensors (article, 2025-05-27)
Field: Chemistry — Analytical Chemistry

Differentiation of Species and Provenance of Palm-Leaf Manuscripts Using Fourier Transform Infrared Spectroscopy and Chemometrics For authentication and interpretation of palm-leaf manuscripts, material analyses are required that enable identification of specific characteristics of written artefacts. In this study, we apply infrared spectroscopy (DRIFTS) in combination with principal component analysis (PCA) as a fingerprinting technique for the analysis of eleven palm-leaf manuscripts. We demonstrate that manuscript-specific information is obtained and that a differentiation regarding the taxonomic species of palm leaves used for production and of their geographical origin in South and Southeast Asia is possible. The results show the potential of infrared spectroscopy for fingerprinting and authentication of written artefacts. Chemometrics ; Fourier transform infrared spectroscopy ; Provenance ; Fourier transform ; Infrared ; Fourier transform spectroscopy ; Palm ; Analytical Chemistry (journal) ; Chemistry ; Mathematics ; Biology ; Environmental chemistry ; Optics ; Chromatography ; Physics ; Astronomy Spectroscopy and Chemometric Analyses ; Essential Oils and Antimicrobial Activity ; Plant-Derived Bioactive Compounds
Authors: Jonali Goswami | Ovungrhoni V. Murry | Prasanna Boruah | Shiv Prasad Aggarwal
Source: ISPRS annals of the photogrammetry, remote sensing and spatial information sciences (article, 2025-07-10)
Field: Chemistry — Analytical Chemistry

Exploring the Potential of EnMAP Hyperspectral Data for Crop Classification: Technique and Performance Evaluation Abstract. Hyperspectral remote sensing is one powerful component that contributes to precision agriculture. The study explores the potential of EnMAP hyperspectral data for the classification of crop types in Goroimari, Kamrup, Assam. The targeted crops namely Sali rice, Rabi maize, mustard and potato are the major Kharif crops grown in the area. A standard protocol for spectra and metadata collection was prepared to be followed while collecting the field spectra. A spectral library of the crops is prepared by collecting spectra in the field using SVC HR-1024 spectroradiometer. After preparing the spectral library as a reference for identification, EnMAP hyperspectral data of the study area, acquired at a similar time with the field data collection is obtained. Utilizing the high spectral resolution of EnMAP with ground field spectra of targeted crops, a combination of end member extraction, endmember spectral matching and Spectral Angle Mapper (SAM) algorithm was implemented to effectively differentiate between various crop types. Three additional classes were identified i.e., crop residue, fallow and sandbar class. The identified endmember classes were taken as the reference spectra to classify the area using SAM. An overall classification accuracy of 88.43 % was achieved. The study demonstrates the potential of EnMAP hyperspectral data in discriminating crop type. Hyperspectral imaging ; Crop ; Computer science ; Remote sensing ; Environmental science ; Pattern recognition (psychology) ; Artificial intelligence ; Geography ; Biology ; Agronomy Spectroscopy and Chemometric Analyses ; Remote Sensing and Land Use ; Remote-Sensing Image Classification
Authors: Canberk Kayalar | Swaroop J. Pansare | Jacob Lee Gonzales | Mathew Kuttolamadom | Ziyaur Rahman | Mansoor A. Khan
Source: International Journal of Pharmaceutics (article, 2025-09-05)
Field: Chemistry — Analytical Chemistry

Real-time monitoring of selective laser sintering 3D printing process for lamivudine content quantification in the printlets: a modern solution to a modern problem Selective laser sintering ; Lamivudine ; Process (computing) ; Sintering ; Process engineering ; Content (measure theory) ; Materials science ; Computer science ; Medicine ; Engineering ; Metallurgy ; Virology ; Mathematics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Image Processing Techniques and Applications
Authors: Yu Zhao | Huijiao Wang | Tian Huang | Zile Li | Yu Lei | Guoxing Zheng
Source: Chinese Optics Letters (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Metasurface-enabled intelligent recognition and visualization for fiber modes Mode-division multiplexing technology leveraging diverse spatial modes has advanced to sustain capacity expansion in fiber-optic communications.The intelligent recognition of spatial modes using ultra-compact devices and low-complexity designs is crucial for mode visualization and system miniaturization.In this work, we theoretically design and experimentally demonstrate a neural network-optimized metasurface capable of dual-mode pattern recognition through dual-channel image display.Our framework offers three key advantages: device compatibility, design flexibility, and function scalability by integrating neural networks and metasurfaces into mode-division multiplexing platforms.Our framework enhances research and applications of intelligent metasurface-driven pattern recognition and object classification, as well as information encoding and decoding. Visualization ; Optical fiber ; Fiber ; Fiber optic sensor ; Image processing Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Optical Wireless Communication Technologies
Authors: Shirin Alexander
Source: match Communications in Mathematical and in Computer Chemistry (article, 2025-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Generating Molecules with Specific Boiling Points and Melting Points We examine a simple algorithm that uses simulated annealing to find molecules with a specific boiling point and melting point. For testing purposes, we consider molecules that contain only carbon, oxygen, nitrogen and hydrogen atoms. We represent these molecules as SMILES strings and use seven distinct operators to modify these strings. Boiling ; Boiling point ; Melting temperature ; Melting point ; Mathematics ; Thermodynamics ; Combinatorics ; Physics ; Materials science ; Quantum mechanics ; Composite material Various Chemistry Research Topics
Authors: Katalin Kuffa | Tamás Langó | András Czirók | Júlia Tárnoki-Zách | Szilvia Bősze | Gábor Tusnády | Zoltán Szabó
Source: International Journal of Molecular Sciences (article, 2025-11-28)
Field: Chemistry — Spectroscopy

Optimization of Methods for the Quantitative Analysis of Global Cell Surface Proteome and Cell Surface Polarization The cell surface proteome of polarized epithelial cells plays a central role in barrier function, signaling, and vectorial transport, yet the quantitative characterization of their surface proteins remains technically challenging. We developed an optimized chemoproteomic strategy specifically tailored to studying the surface proteins of polarized cells while keeping membrane integrity intact. By applying a disulfide-linked membrane-impermeable biotin reagent, labeling was restricted to extracellular regions of transmembrane proteins (TMPs) and secreted proteins, thereby minimizing contributions from intracellular contaminants. Following biotinylated peptide-level or protein-level enrichment and mass spectrometric analysis, we systematically compared data-dependent (DDA) and data-independent acquisition (DIA) approaches, showing that while DIA increases proteome coverage, DDA more reliably identifies biotinylated peptides in our studies. To ensure robustness, we established replicate-based normalization and contaminant-aware quality control metrics that minimize biases from proteins in cell culture medium and damaged cells. The application of the workflow to Madin-Darby canine kidney (MDCK) II epithelial monolayers enabled the large-scale quantification of apical versus basolateral domains, yielding over 2100 proteins, with 235 showing significant polarized distribution, in agreement with known biology. This method offers high specificity for the extracellular labeling and quantitative resolution of cell surface protein (CSP) polarization, providing a powerful platform for studying epithelial biology and identifying extracellular epitopes relevant to diagnostics and therapeutic targeting. Biotinylation ; Proteome ; Extracellular ; Quantitative proteomics ; Protein subcellular localization prediction ; Membrane protein ; Intracellular ; Cell ; Cell membrane Advanced Proteomics Techniques and Applications ; Biotin and Related Studies ; Machine Learning in Bioinformatics
Authors: D. M. Gao | Yu Yuan | Nicolas Brodusch | Raynald Gauvin
Source: Journal of Microscopy (article, 2025-08-06)
Field: Materials Science — Surfaces, Coatings and Films

Comparison of two Monte Carlo approaches for homogeneous bulk samples This manuscript presents a comparative analysis of two software packages, MC X-ray and PENELOPE, focusing on their accuracy and efficiency in simulating k-ratios for binary compounds and comparing their spectra with experimental data for pure elements and compounds. Based on the Pouchou database, MC X-ray slightly outperforms PENELOPE in k-ratio calculations, achieving a root mean square error (RMSE) of 2.71% with a standard deviation of 0.027, compared to 2.87% with a standard deviation of 0.053. Discrepancies between the two programs emerge at lower beam energies (3 and 5 keV) when comparing simulated spectra with experimental data; however, at higher energies (20 and 30 keV), both software packages exhibit consistent and reliable performance across a range of atomic numbers. While both tools are effective for analysing homogeneous bulk samples, MC X-ray offers significant advantages in processing speed and user-friendliness. This study underscores the strengths and limitations of each package, providing valuable insights for researchers engaged in X-ray simulation and microanalysis. Homogeneous ; Standard deviation ; Monte Carlo method ; Computational physics ; Range (aeronautics) ; Spectral line ; Software ; Binary number ; Mean squared error ; Materials science ; Microanalysis ; Analytical Chemistry (journal) ; Physics ; Computer science ; Statistical physics ; Statistics ; Chemistry ; Mathematics Electron and X-Ray Spectroscopy Techniques ; X-ray Diffraction in Crystallography ; Advanced Materials Characterization Techniques
Authors: Ana Jano | Manuel Badiola | Ana M. Ares | José Bernal | Marı́a T. Martı́n | Laura Toribio | Adrián Fuente-Ballesteros
Source: Separations (article, 2025-12-04)
Field: Chemistry — Spectroscopy

Fast Analytical Separation of Selected Agricultural Pesticides Using Supercritical Fluid Chromatography Pesticides are chemical substances widely used to control, prevent, or eliminate pests in agriculture, gardening, and other sectors. However, their use poses risks to human health, and recent regulatory efforts have focused on minimizing exposure and monitoring residue levels. In this study, the separation of seven pesticides was investigated using supercritical fluid chromatography coupled to diode-array detection (SFC-DAD). The influence of six different stationary phases and various organic modifiers, as well as additional parameters such as temperature, pressure, and the presence of additives, was systematically evaluated to optimize the chromatographic conditions. The best separation performance was achieved using a LiChrospher® 100 DIOL column with methanol as the organic modifier under a gradient program. Analyses were carried out at a flow rate of 3 mL/min, a column temperature of 35 °C, and a system back pressure of 150 bar, resulting in a total analysis time of approximately 4 min. The optimized method allowed for a faster separation of the selected agricultural pesticides by SFC-DAD compared to conventional chromatographic techniques. Supercritical fluid chromatography ; Supercritical fluid ; Pesticide ; Methanol ; Chromatographic separation ; Volumetric flow rate ; Pesticide residue ; Residue (chemistry) Analytical Chemistry and Chromatography ; Pesticide Residue Analysis and Safety ; Chromatography in Natural Products
Authors: Tea Burin | Mariana Cecilia Grohar | Jerneja Jakopič | M. Hudina
Source: Agriculture (article, 2025-09-15)
Field: Chemistry — Organic Chemistry

Phenolic and Fatty Acid Changes in ‘Leccino’ Olives (Olea europaea L.) Under Different Postharvest Conditions This study investigates the changes in mechanically harvested ‘Leccino’ olives stored under cold and room-temperature conditions from harvest up to 23 days of storage during two consecutive seasons. Variations in quality parameters, including maturity index, weight, firmness, and colour, were monitored throughout the storage period. In addition, the phenolic profile of the olives was analysed using HPLC, and the fatty acid composition was determined by GC–MS. These analyses enabled a comparison of changes across different storage durations, seasons, and storage conditions. Results show that fruit ripeness at harvest differed notably between the two seasons. In the second season, the olives displayed a higher maturity index, lower firmness, and lower content of certain individual phenolic compounds, indicating a more advanced stage of ripening compared to that of the previous year. These initial differences strongly influenced the subsequent development of fruit quality and biochemical characteristics during storage. Storage temperature had a significant effect on the quality parameters and metabolism. As expected, olives stored at room temperature lost their firmness and weight more quickly than those stored under cold conditions. The most abundant phenolic in olive fruit, oleuropein, degraded more rapidly at room temperature, resulting in a quicker accumulation of its derivatives. Fatty acids were more stable than phenolic compounds during storage, likely due to their lower susceptibility to enzymatic degradation and oxidative reactions under the tested conditions. While saturated fatty acids remained largely unchanged, a slight increase in unsaturated fatty acids was observed after 23 days of cold storage, possibly as a result of adaptations of the membrane to cold storage conditions. Ripening ; Ripeness ; Postharvest ; Cold storage ; Fatty acid ; Food preservation ; Warehouse Edible Oils Quality and Analysis