jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: F.M. Tangorra | Alexander Lopez | Elena Ighina | F. Bellagamba | V.M. Moretti
Source: Foods (article, 2024-11-09)
Field: Chemistry — Analytical Chemistry

Handheld NIR Spectroscopy Combined with a Hybrid LDA-SVM Model for Fast Classification of Retail Milk The EU market offers different types of milk, distinguished by origin, production method, processing technology, fat content, and other characteristics, which are often detailed on product labels. In this context, ensuring the authenticity of milk is crucial for maintaining standards and preventing fraud. Various food authenticity techniques have been employed to achieve this. Among them, near-infrared (NIR) spectroscopy is valued for its non-destructive and rapid analysis capabilities. This study evaluates the effectiveness of a miniaturized NIR device combined with support vector machine (SVM) algorithms and LDA feature selection to discriminate between four commercial milk types: high-quality fresh milk, milk labeled as mountain product, extended shelf-life milk, and TSG hay milk. The results indicate that NIR spectroscopy can effectively classify milk based on the type of milk, relying on different production systems and heat treatments (pasteurization). This capability was greater in distinguishing high-quality mountain and hay milk from the other types, while resulting in less successful class assignment for extended shelf-life milk. This study demonstrated the potential of portable NIR spectroscopy for real-time and cost-effective milk authentication at the retail level. Pasteurization ; Context (archaeology) ; Food science ; Shelf life ; Support vector machine ; Computer science ; Mathematics ; Process engineering ; Artificial intelligence ; Chemistry ; Engineering ; Biology Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Advanced Chemical Sensor Technologies
Authors: Md Abul Shahid | Neslihan Okyay | Osman Babaarslan
Source: Fibers (article, 2024-10-09)
Field: Materials Science — Polymers and Plastics

A Comparative Analysis of Denim Fabric Performances from Cotton/Polyester Blended Rigid and Stretched Yarns Cotton and polyester fiber blends are commonly used to improve the aesthetic features of finished items. The denim industry’s growing need for polyester fiber aids in analyzing the performance of denim fabrics woven from rigid and stretched weft yarn combined with cotton and polyester. This study evaluates the weight, dimensional changes, stiffness, tensile and tearing strength, stretch, and comfort properties of denim fabric woven from cotton and polyester in various blended ratios. Here, Ne 14/1 (42 tex) 100% cotton warp yarn and Ne 18/1 (33 tex) weft yarns, consisting of 100% cotton, 75/25, 50/50, and 25/75 cotton/polyester (CO/PES) blends, as well as 100% polyester, were used to produce 3/1 Z twill denim fabric. The weft yarns were categorized into three groups: rigid, core-spun, and dual-core-spun yarns. Experimental results showed a higher polyester content in weft yarn, and denim fabrics’ tensile and tearing strength was improved, whereas fabrics’ weight loss, dimensional changes, and stretch properties were reduced. Furthermore, different statistical analyses were conducted to evaluate the type of weft yarn and blending ratio interaction and correlation with fabric properties. Additionally, a regression model was developed with the weft yarn type and blending ratio as independent variables to predict the fabric properties. Denim ; Polyester ; Materials science ; Composite material ; Yarn ; Polymer science ; Structural engineering ; Engineering Textile materials and evaluations ; Additive Manufacturing and 3D Printing Technologies ; Mechanical Behavior of Composites
Authors: Elizaveta F. Petrusevich | Heribert Reis | Borys Ośmiałowski | Denis Jacquemin | Josep M. Luis | Robert Zaleśny
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

One- and two-photon absorption spectra of organoboron complexes: vibronic and environmental effects We synthesized a series of four parent <i>aza-β</i>-ketoiminate organoboron complexes and performed spectroscopic studies using both experimental and computational techniques. We studied how benzannulation influences the vibronic structure of the UV/Vis absorption bands with a focus on the bright lowest-energy π → π* electronic excitation. Theoretical simulations, accounting for inhomogeneous broadening effects using different embedding schemes, allowed gaining in-depth insights into the observed differences in band shapes induced by structural modifications. We observed huge variations in the distributions of vibronic transitions depending on the position of benzannulation. By and large, the harmonic approximation combined with the adiabatic hessian model delivers qualitatively correct band shapes for the one-photon absorption spectra, except in one case. We also assessed the importance of non-Condon effects (accounted for by the linear term in Herzberg-Teller expansion of the dipole moment) for S<sub>0</sub> → S<sub>1</sub> band shapes. It turned out that non-Condon contributions have no effect on the band shape in one-photon absorption spectra. In contrast, these effects significantly change the Franck-Condon band shapes of the two-photon absorption spectra. For one of the studied organoboron complexes we also performed a preliminary exploration of mechanical anharmonicity, resulting in an increase of the intensity of the 0-0 transition, which improves the agreement with the experimental data compared to the harmonic model. Vibronic spectroscopy ; Organoboron compounds ; Absorption spectroscopy ; Absorption (acoustics) ; Spectral line ; Chemistry ; Photochemistry ; Photon ; Two-photon excitation microscopy ; Physical chemistry ; Atomic physics ; Physics ; Organic chemistry ; Fluorescence ; Optics ; Quantum mechanics ; Boron Luminescence and Fluorescent Materials ; Conducting polymers and applications ; Molecular Sensors and Ion Detection
Authors: Sebastian N. W. Hoernstein | Andreas Schlösser | Kathrin Fiedler | Nico van Gessel | Gabor L. Igloi | Daniel Lang | Ralf Reski
Source: Plant Cell Reports (article, 2024-10-01)
Field: Chemistry — Spectroscopy

A snapshot of the Physcomitrella N-terminome reveals N-terminal methylation of organellar proteins Analysis of the N-terminome of Physcomitrella reveals N-terminal monomethylation of nuclear-encoded, mitochondria-localized proteins. Post- or co-translational N-terminal modifications of proteins influence their half-life as well as mediating protein sorting to organelles via cleavable N-terminal sequences that are recognized by the respective translocation machinery. Here, we provide an overview on the current modification state of the N-termini of over 4500 proteins from the model moss Physcomitrella (Physcomitrium patens) using a compilation of 24 N-terminomics datasets. Our data reveal distinct proteoforms and modification states and confirm predicted targeting peptide cleavage sites of 1,144 proteins localized to plastids and the thylakoid lumen, to mitochondria, and to the secretory pathway. In addition, we uncover extended N-terminal methylation of mitochondrial proteins. Moreover, we identified PpNTM1 (P. patens alpha N-terminal protein methyltransferase 1) as a candidate for protein methylation in plastids, mitochondria, and the cytosol. These data can now be used to optimize computational targeting predictors, for customized protein fusions and their targeted localization in biotechnology, and offer novel insights into potential dual targeting of proteins. Biology ; Plastid ; Physcomitrella patens ; Protein targeting ; Cell biology ; Protein subcellular localization prediction ; Transit Peptide ; Methylation ; Mitochondrion ; Proteome ; Organelle ; Genetics ; Chloroplast ; Gene ; Membrane protein ; Mutant Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Genomics and Phylogenetic Studies
Authors: Yuning Xie | Wenqiong Liu | Liwen Guo | Xuemei Zhang
Source: Frontiers in Genetics (article, 2024-06-04)
Field: Chemistry — Organic Chemistry

Mitochondrial genome complexity in Stemona sessilifolia: nanopore sequencing reveals chloroplast gene transfer and DNA rearrangements Mitochondria are semi-autonomous organelles in eukaryotic cells with their own genome. Plant mitogenomes differ from animal mitogenomes in size, structure, and repetitive DNA sequences. Despite larger sizes, plant mitogenomes do not have significantly more genes. They exhibit diverse structures due to variations in size, repetitive DNA, recombination frequencies, low gene densities, and reduced nucleotide substitution rates. In this study, we analyzed the mitochondrial genome of <i>Stemona sessilifolia</i> using Nanopore and Illumina sequencing. <i>De-novo</i> assembly and annotation were conducted using Unicycler, Geseq, tRNAscan-SE and BLASTN, followed by codon usage, repeat sequence, RNA-editing, synteny, and phylogenetic analyses. <i>S. sessilifolia's</i> mitogenome consisted of one linear contig and six circular contigs totaling 724,751 bp. It had 39 protein-coding genes, 27 tRNA genes, and 3 rRNA genes. Transfer of chloroplast sequences accounted for 13.14% of the mitogenome. Various analyses provided insights into genetic characteristics, evolutionary dynamics, and phylogenetic placement. Further investigations can explore transferred genes' functions and RNA-editing's role in mitochondrial gene expression in <i>S. sessilifolia</i>. Biology ; Mitochondrial DNA ; Gene ; Contig ; Genome ; Genetics ; Synteny ; Transfer RNA ; Chloroplast DNA ; DNA sequencing ; Sequence assembly ; RNA ; Gene expression Advanced Synthetic Organic Chemistry ; Genomics and Phylogenetic Studies ; Environmental DNA in Biodiversity Studies
Authors: Aikaterini Tzamourani | Georgia Kalogri | Maria Kavvatha | Aggeliki Kochila | Evanthia Manthou | Yangtai Liu | Efstathios Ζ. Panagou
Source: International Journal of Food Science & Technology (article, 2024-04-22)
Field: Chemistry — Organic Chemistry

Inoculated fermentation of cv. Conservolea natural black olives with multifunctional starter cultures in reduced‐sodium brines Summary The purpose of this research was to investigate the fermentation of Conservolea variety natural black olives using two lactic acid bacteria (LAB) with multifunctional potential as starter cultures. Moreover, the effect of 50% substitution of NaCl by KCl in the brines was examined to produce a reduced‐sodium product with multifunctional potential. For this purpose, Lactiplantibacillus pentosus B363 and Lactiplantibacillus plantarum B380, previously isolated from table olive fermentations and characterised for technological and probiotic potential, were inoculated at the onset of fermentation in 6% (w/v) NaCl and 3% (w/v) NaCl/3% (w/v) KCl salt brines. The microbial populations (LAB, yeasts, and Enterobacteriaceae), pH, acidity, salt content, organic acids, and ethanol were measured in the brine for 146 days. Additionally, the recovery of each starter culture from the olive drupes at the beginning (5 days) and final (146 days) stages of fermentation was determined by plating, genotyping, and identification through RAPD‐PCR and 16S region amplicon sequencing, respectively, and subsequent strain differentiation through rep‐GTG 5 fingerprint analysis. The results revealed the dominance of LAB in populations from 5.5 to 8.1 log CFU/mL. The final recovery rate of L. pentosus B363 on the olives was approximately 80% in both 6% (w/v) NaCl and reduced (3% (w/v) NaCl/3% (w/v) KCl) salt brines. Similarly, L. plantarum B380 recovery rates were 89% and 85%, respectively, for the same fermentations. Yeasts coexisted with LAB in counts ranging from 2.3 to 5.8 log CFU/mL, whereas no enterobacteria were enumerated in the brines and olives at the end of fermentation. The obtained fermentation profile and the sensory analysis of the olives revealed a typical lactic acid fermentation in both control and reduced‐sodium brines. The current results support the feasibility of the production of reduced‐sodium natural black olives with probiotic potential. The proposed fermentation process, including the selected starters, can be readily employed by the table olive industry to meet consumers' needs for low‐sodium dietary intake while enhancing the functional potential of table olives. Starter ; Fermentation ; Food science ; Lactobacillus plantarum ; Brine ; Chemistry ; Lactic acid ; Sodium ; Inoculation ; Bacteria ; Fermentation starter ; Biology ; Horticulture Edible Oils Quality and Analysis ; Essential Oils and Antimicrobial Activity ; Ginger and Zingiberaceae research
Authors: Xiaoxiong Sun | Liangkuan Zhu | Dayang Liu
Source: Frontiers in Plant Science (article, 2024-08-19)
Field: Chemistry — Analytical Chemistry

Blueberry bruise non-destructive detection based on hyperspectral information fusion combined with multi-strategy improved Beluga Whale Optimization algorithm The integration of hyperspectral image information through feature fusion proved highly efficient for the early detection of bruising in blueberries. However, the effectiveness of this technology is contingent upon specific conditions in the detection environment, such as light intensity and temperature. The high accuracy of the optimized SVM model underscores its potential utility in post-harvest assessment of blueberries for early detection of bruising. Despite these promising results, further studies are needed to validate the model under varying environmental conditions and to explore its applicability to other fruit varieties. Hyperspectral imaging ; Bruise ; Artificial intelligence ; Beluga Whale ; Whale ; Computer science ; Fusion ; Pattern recognition (psychology) ; Sensor fusion ; Computer vision ; Algorithm ; Biology ; Fishery ; Ecology Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote Sensing and Land Use
Authors: Chia‐Ying Huang | Sylvain Aumonier | Vincent Oliéric | Meitian Wang
Source: Acta Crystallographica Section D Structural Biology (article, 2024-07-25)
Field: Materials Science — Materials Chemistry

Cryo2RT: a high-throughput method for room-temperature macromolecular crystallography from cryo-cooled crystals Advances in structural biology have relied heavily on synchrotron cryo-crystallography and cryogenic electron microscopy to elucidate biological processes and for drug discovery. However, disparities between cryogenic and room-temperature (RT) crystal structures pose challenges. Here, Cryo2RT, a high-throughput RT data-collection method from cryo-cooled crystals that leverages the cryo-crystallography workflow, is introduced. Tested on endothiapepsin crystals with four soaked fragments, thaumatin and SARS-CoV-2 3CL<sup>pro</sup>, Cryo2RT reveals unique ligand-binding poses, offers a comparable throughput to cryo-crystallography and eases the exploration of structural dynamics at various temperatures. Cryo-electron microscopy ; Crystallography ; Synchrotron ; Throughput ; Electron crystallography ; Materials science ; Structural biology ; Workflow ; Nanotechnology ; Chemistry ; Biophysics ; Diffraction ; Computer science ; Biology ; Physics ; Electron diffraction ; Biochemistry Enzyme Structure and Function ; RNA and protein synthesis mechanisms ; Protein Structure and Dynamics
Authors: Valentin Wesp | Lukas Scholz | Janine M. Ziermann | Stefan Schuster | Heiko Stark
Source: Berichte aus der medizinischen Informatik und Bioinformatik/Journal of integrative bioinformatics (article, 2024-07-12)
Field: Materials Science — Biomaterials

Constructing networks for comparison of collagen types Collagens are structural proteins that are predominantly found in the extracellular matrix of multicellular animals, where they are mainly responsible for the stability and structural integrity of various tissues. All collagens contain polypeptide strands (α-chains). There are several types of collagens, some of which differ significantly in form, function, and tissue specificity. Because of their importance in clinical research, they are grouped into subdivisions, the so-called collagen families, and their sequences are often analysed. However, problems arise with highly homologous sequence segments. To increase the accuracy of collagen classification and prediction of their functions, the structure of these collagens and their expression in different tissues could result in a better focus on sequence segments of interest. Here, we analyse collagen families with different levels of conservation. As a result, clusters with high interconnectivity can be found, such as the fibrillar collagens, the COL4 network-forming collagens, and the COL9 FACITs. Furthermore, a large cluster between network-forming, FACIT, and COL28a1 α-chains is formed with COL6a3 as a major hub node. The formation of clusters also signifies, why it is important to always analyse the α-chains and why structural changes can have a wide range of effects on the body. Extracellular matrix ; Multicellular organism ; Sequence (biology) ; Interconnectivity ; Function (biology) ; Chemistry ; Cell biology ; Computational biology ; Biology ; Evolutionary biology ; Cell ; Biochemistry ; Computer science Collagen: Extraction and Characterization ; Cell Adhesion Molecules Research ; Osteoarthritis Treatment and Mechanisms
Authors: Sheng Li | Jiangbo Li | Qingyan Wang | Ruiyao Shi | Xuhai Yang | Qian Zhang
Source: Frontiers in Plant Science (article, 2024-01-23)
Field: Chemistry — Analytical Chemistry

Determination of soluble solids content of multiple varieties of tomatoes by full transmission visible-near infrared spectroscopy This study underscores the effectiveness of full transmission Vis-NIR spectroscopy in predicting SSC in different tomato varieties, offering a viable method for accurate and swift SSC assessment in tomatoes. Partial least squares regression ; Near-infrared spectroscopy ; Smoothing ; Brix ; Mathematics ; Preprocessor ; Biological system ; Statistics ; Artificial intelligence ; Chemistry ; Computer science ; Sugar ; Food science ; Biology ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Remote Sensing in Agriculture
Authors: Jing Li | Binyi Ma | Huanyang Chen | Rui Cai | SiMing Chen | Qiannan Wu | Mengwei Li
Source: Scientific Reports (article, 2024-10-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Deep neural network-enabled dual-functional wideband absorbers The increasing interest in switchable and tunable wideband perfect absorbers for applications such as modulation, energy harvesting, and spectroscopy has significantly driven research efforts. In this study, we present a dual-function terahertz (THz) metamaterial absorber supported by deep neural networks (DNN). This absorber achieves dual-wideband perfect absorption through the use of graphene and vanadium dioxide (VO₂), enabling both switching and tuning functionalities. Simulation results show that, in the insulating phase of VO₂, a high-frequency wideband absorption ranging from 9.31 to 9.77 THz is achieved, with an absorption rate exceeding 90%. In contrast, in the metallic phase of VO₂, a full-band wideband absorption above 90% is observed from 8.44 to 9.75 THz. The corresponding fractional bandwidths are 61.3% and 174.6%, respectively. Additionally, electrical tuning of graphene's Fermi level from 0.01 to 1 eV enables continuous modulation of absorption intensity between 48 and 100%. The absorber also exhibits polarization insensitivity to TE and TM waves due to its symmetric design and broad incidence angle. This design holds significant potential for various THz applications, including switching, electromagnetic shielding, stealth technology, filtering, and sensing. Dual (grammatical number) ; Computer science ; Wideband ; Artificial neural network ; Artificial intelligence ; Electrical engineering ; Engineering Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Eduardo Arcones | Fernando Álvarez | Abderrahim Khamlichi | Fernando Garnacho
Source: Sensors (article, 2024-02-21)
Field: Materials Science — Materials Chemistry

Scale Modular Test Platform for the Characterization of PD Measuring Systems Using HFCT Sensors Today, online partial discharge (PD) measurements are common practice to assess the condition status of dielectrics in high-voltage (HV) electrical grids. However, when online PD measurements are carried out in electrical facilities, several disadvantages must be considered. Among the most important are high levels of changing electrical noise and interferences, signal phase couplings (cross-talk phenomena), and the simultaneous presence of various defects and difficulties in localizing and identifying them. In the last few decades, various PD-measuring systems have been developed to deal with these inconveniences and try to achieve the adequate supervision of electrical installations. In the state of the art, one of the main problems that electrical companies and technology developers face is the difficulty in characterizing the measuring system's functionalities in laboratory setups or in real-world facilities, where simulated or real defects must be detected. This is mainly due to the complexity and costs that the laboratory setups entail and the fact that the facilities are permanently in service. Furthermore, in the latter scenario, owners cannot assign facilities to carry out the tests, which could cause irreversible damage. Additionally, with the aforementioned installations, a comparison of results over time in various locations is not possible, and noise conditions cannot be controlled to perform the characterizations in a correct way. To deal with the problems indicated, in this article, an affordable scale modular test platform that simulates an HV installation is presented, where real on-site PD measuring conditions are simulated and controlled. In this first development, the HV installation comprises a cable system connected at both ends to a gas-insulated substation (GIS). As the most common acquisition technique in online applications is based on the placement of high-frequency current transformer (HFCT) sensors in the grounding cables of facilities, the test platform is mainly adapted to carry out measurements with this type of sensor. The designed and developed test platform was validated to assess its features and the degree of convergence with a real installation, showing the convenience of its use for the appropriate and standardized characterization of PD-measuring systems. Modular design ; Noise (video) ; Scale (ratio) ; Reliability engineering ; Computer science ; Partial discharge ; Electrical equipment ; Service (business) ; Voltage ; Engineering ; Electrical engineering ; Systems engineering ; Electronic engineering High voltage insulation and dielectric phenomena ; Electrostatic Discharge in Electronics ; Lightning and Electromagnetic Phenomena