jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fatma F. Abdallah | Eglal A. Abdelaleem | Aml G. Korany | Noha H. Amin | Ahmed M. Gouda
Source: Biomedical Chromatography (article, 2025-12-05)
Field: Chemistry — Spectroscopy

Greenness, Blueness, and Whiteness Assessment of Novel Chromatographic Methods for Separation and Simultaneous Analysis of Zuclopenthixol and Its Major Potentially Toxic Impurity: A Comparative Study Zuclopenthixol was reported to treat schizophrenia, psychoses, and acute bipolar mania. 2-Chlorothioxanthon is reported to be zuclopenthixol official Impurity C (IMP C), and it is considered to be zuclopenthixol synthetic precursor. IMP C was reported to have toxicity on mRNA and protein expression. Environmentally validated HPTLC and HUPLC were developed for the simultaneous analysis of zuclopenthixol and IMP C in the analytical standard form and in pharmaceutical form, according to ICH guidelines. Regarding the HPTLC method, zuclopenthixol and its toxic impurity were separated using a mobile phase consisting of dichloromethane:ethyl acetate:triethylamine (6:4.5:0.4, v/v), and the scanning wavelength was 257 nm. For the HUPLC method, the simultaneous separation was completed within 2 min using Waters, CORTECS C<sub>8</sub> (4.6 mm × 150, 2.7 μm) as a stationary phase. The applied mobile phase was an isocratic mixture of methanol:water (80:20, v/v), pH was 3.25 ± 0.02 using orthophosphoric acid, pumping at 3 mL/min, and the detection wavelength was 257 nm. To evaluate the greenness value of the presented methods, the Eco-Scale Assessment method, Analytical Greenness Metric, and Green Analytical Procedure Index were applied. The practicality of the analytical methods was evaluated using the Blue Applicability Grade Index. Additionally, the analytical whiteness was determined via the RGB algorithm. Chromatographic separation ; Impurity ; Phase (matter) ; Stationary phase ; Detection limit Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Biochemical Analysis and Sensing Techniques
Authors: Martine Blais | Philippe Tanguay | Isabelle Duchesne | Danny Rioux
Source: IAWA Journal - KU Leuven/IAWA Journal (article, 2025-01-07)
Field: Chemistry — Organic Chemistry

Zooming into refractory timber: enhancing anatomical identification with confocal laser scanning microscopy and fluorescence Summary Accurate wood identification is crucial for combatting the illegal logging and trade of forest products worldwide. However, certain challenges such as small specimen size, high wood density, and level of degradation can complicate the identification process. There is therefore a need to develop methods and use complementary techniques in forensic wood identification, particularly for difficult samples. This study utilized confocal laser scanning microscopy (CLSM) to detect and locate autofluorescence of axial parenchyma cells (APCs) to facilitate the identification of three challenging unknown wood specimens. These specimens posed difficulties for sectioning with a microtome due to brittleness, density, or small size constraints. CLSM results were compared with those from conventional light compound and stereomicroscopy. In our investigation, the three unknown wood samples were identified as Bobgunnia cf. fistuloides , Chlorocardium cf. rodiei , and Diphysa cf. carthagenensis . Specifically, CLSM confirmed the absence of apotracheal parenchyma in B . cf. fistuloides , which could not be determined using fluorescence stereomicroscopy. For D . cf. carthagenensis , CLSM’s fluorescence intensity highlighted axial parenchyma effectively, surpassing fluorescence stereomicroscopy. A notable advantage of our non-invasive CLSM method was its ability to examine smooth, unsectioned block surfaces, thereby enhancing preservation and ‘ in-situ’ visualization of APCs. Our results combining autofluorescence and CLSM clearly offered superior resolution in observing APCs compared to traditional microscopy and can thus be applied for increasing confidence in wood species identification. Autofluorescence ; Parenchyma ; Optical sectioning ; Confocal laser scanning microscopy ; Microscopy ; Light sheet fluorescence microscopy ; Fluorescence microscope ; Identification (biology) ; Confocal microscopy ; Confocal ; Materials science ; Fluorescence ; Biomedical engineering ; Pathology ; Biology ; Biophysics ; Optics ; Botany ; Medicine ; Cell biology Wood and Agarwood Research ; Remote Sensing and LiDAR Applications ; Forest Ecology and Biodiversity Studies
Authors: Jędrzej Trajer | B. Dróżdż | Robert Sałat | Janusz Wojdalski
Source: Energies (article, 2025-08-12)
Field: Chemistry — Analytical Chemistry

Artificial Intelligence in Assessing Electricity and Water Demand in Oilseed Processing The aim of this study was to explore the use of neural networks as a decision-support tool for sustainable oilseed processing. The investigation focused on how different production profiles (crude vegetable oil, refined oil, hydrogenated oil and margarine) affect electricity and water use in selected Polish processing plants. The collected data were first grouped with cluster analysis to identify similar operational cases. The clusters were then visualized with a Self-Organizing Map (SOM), producing a two-dimensional topological feature map. This analysis indicated a subset of data for which it was appropriate to build predictive models of electricity and water consumption. Multi-layer perceptron (MLP) neural networks yielded highly accurate predictions of electricity (R2 = 0.967 on the test set) and water (R2 = 0.967 on the test set) use in oilseed processing. The resulting models can assist in selecting the most energy- and water-efficient processing configuration. Electricity ; Electricity demand ; Environmental economics ; Environmental science ; Business ; Natural resource economics ; Economics ; Engineering ; Electricity generation ; Power (physics) ; Electrical engineering Spectroscopy and Chemometric Analyses
Authors: Mark Bentum | Diego Caratelli | Marion K. Matters-Kammerer | Laura Anitori | Ioan E. Lager | David Prinsloo
Source: IEEE Microwave Magazine (article, 2025-06-04)
Field: Chemistry — Organic Chemistry

Welcome to the 28th European Microwave Week in Utrecht, The Netherlands [Around the Globe] On behalf of the Organizing Committee, it is our great pleasure to invite you to the 28th edition of European Microwave Week (EuMW), which will take place on 21–26 September 2025 at a unique venue: the Royal Jaarbeurs in Utrecht, The Netherlands. Globe ; Telecommunications ; Microwave ; Political science ; Engineering ; Medicine ; Ophthalmology Microwave-Assisted Synthesis and Applications ; ICT Impact and Policies ; Advanced Photonic Communication Systems
Authors: Jean Bouchat | Quentin Deffense | Thomas De Maet | Pierre Defourny
Source:  (preprint, 2025-06-12)
Field: Chemistry — Analytical Chemistry

Synergistic Use of Optical and SAR Imagery for Near Real-Time Green Area Index Retrieval in Maize The green area index (GAI) is a key biophysical variable for crop monitoring. Its retrieval often relies on optical remote sensing, which can be hampered by frequent cloud cover. In this context, synthetic aperture radars (SARs) offer the advantage of Index (typography) ; Remote sensing ; Environmental science ; Computer science ; Geography ; World Wide Web Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Smart Agriculture and AI
Authors: Mark Legendre | Carlos A Heredia | Clair M. Colee | Gözde S. Demirer
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-08-28)
Field: Materials Science — Biomaterials

Extracellular contractile injection systems for high efficiency protein delivery to plants Efficient delivery of functional proteins into plant cells remains a major barrier in plant biotechnology. Extracellular contractile injection systems (eCISs) are phage tail-like nanomachines evolved by bacteria to interface with eukaryotic host cells and deliver protein effectors. The Photorhabdus virulence cassette (PVC), a well-characterized eCIS, naturally targets insect hosts but can be reprogrammed for protein cargo delivery in mammalian systems. Here, we adapted PVCs for targeted delivery to plants by engineering their tail fibers to recognize a natural plant immune receptor, FLAGELLIN SENSITIVE2 (FLS2). We designed a library of FLS2-binding PVC variants and demonstrated efficient loading and delivery of non-native cargoes, including a fluorescent reporter protein and the Cre recombinase. We showed that engineered PVCs can deliver these proteins to Arabidopsis thaliana protoplasts and Nicotiana benthamiana leaf cells with efficiencies up to 40%. We elucidated that the delivery efficiency is correlated with receptor surface density, demonstrating that receptor selection and expression level are key parameters for optimization. This work establishes PVCs as novel, programmable protein delivery nanoparticles for plants, capable of targeting plant membrane receptors and effectively delivering diverse functional proteins. By enabling precise, DNA-free delivery of gene editing proteins, plant-targeted PVCs provide the framework for next-generation genome engineering strategies with broad potential in agricultural nanobiotechnology. Extracellular ; Cell biology ; Delivery system ; Chemistry ; Business ; Biophysics ; Biology ; Pharmacology Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics ; Tissue Engineering and Regenerative Medicine
Authors: Sergio Mosquim | Måns Zamore | Johan Vallon‐Christersson | Lisa Rydén | Fredrik Levander
Source: medRxiv (preprint, 2025-01-23)
Field: Chemistry — Spectroscopy

Multiomic profiling of metastatic potential in estrogen receptor-positive human epidermal growth factor-negative breast cancer Abstract Metastatic disease is the main cause of breast cancer-related deaths. Given advances in the molecular profiling of tumors, we here aimed at integrating proteome, phosphoproteome and transcriptome data for the profiling of primary tumors to allow for discovery of new subtypes and features predicting lymph node and distant metastases in breast cancer (BC). We analyzed a total of 182 estrogen-receptor (ER) positive, human epidermal growth factor receptor 2 (HER2) negative BC samples using label-free Data Independent Acquisition (DIA) liquid chromatography tandem mass spectrometry (LC-MS/MS), quantifying a total of 13571 protein groups, 7107 phosphopeptides and 13085 expressed genes in at least 70% of the samples. Unsupervised consensus cluster analyses permitted the identification of potential subtypes with differential immune infiltration pattern and survival. Immune deconvolution data was combined with multiomics factor analysis, providing unique insight into different markers for lymph node and distant metastases. In summary, we further developed a protocol for parallel acquisition of matched proteomics, phosphoproteomics and transcriptomics data, resulting in the most comprehensive dataset of its kind and allowing for unique insights into metastatic processes in ER-positive/HER2-negative BC. Breast cancer ; Proteomics ; Biology ; Lymph node ; Estrogen receptor ; Computational biology ; Proteome ; Gene expression profiling ; Cancer research ; Cancer ; Bioinformatics ; Oncology ; Medicine ; Internal medicine ; Immunology ; Gene expression ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; S100 Proteins and Annexins
Authors: Akhmet Baitursynuly Kostanay Regional University NLC | Bekenovich Seitbek | Aliya Ysqaq
Source: 3i intellect idea innovation - интеллект идея инновация (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

COMPARATIVE ANALYSIS OF HARDENING TECHNOLOGIES FOR PLOUGHSHARES UNDER CONDITIONS OF NORTHERN KAZAKHSTAN This article examines modern technological solutions aimed at improving the strength and wear resistance of tillage machine components, with a focus on the ploughshares of subsurface plows. The relevance of the study is justified by the intensive operation of agricultural machinery on hard and arid soils typical of the Northern Kazakhstan regions. A comparative analysis is carried out on the manufacturing processes of plowshares produced by domestic engineering enterprises and those manufactured at plants in CIS countries and abroad. It has been established that foreign-made ploughshares possess significantly higher service life, which is attributed to the application of additional hardening operations such as high-frequency induction hardening, chemical-thermal treatments (boronizing, nitriding), hardfacing, as well as cryogenic treatment. A comparative table is presented, showing the dependence of ploughshare service life on soil type and applied technology: on the soils of Northern Kazakhstan, domestic ploughshares provide a lifespan of 280–320 hectares, whereas foreign counterparts reach 600–700 hectares. The authors propose a set of technological measures for the modernization of heat treatment and alloying processes, recommended for implementation in domestic agricultural machinery manufacturing. The implementation of these solutions is expected to significantly extend the service life of working elements, reduce the number of replacements in the field, and lower operational costs. The paper aims to support import substitution processes and enhance the competitiveness of Kazakhstan-made agricultural machinery. Agriculture ; Agricultural machinery ; Tillage ; Modernization theory ; Soil water ; Service life Metal Alloys Wear and Properties ; Mechanical Systems and Engineering ; Polymer Science and Applications
Authors: Evgeniy V. Petrotchenko | Brandon Novy | E. M. Nagy | Konstantin I. Popov | Jason B. Cross | Roopa Thapar | Christoph H. Borchers
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-04-28)
Field: Materials Science — Materials Chemistry

Characterization of the KRas G12D-inhibitor interactions by HDX-MS and molecular dynamics simulations Abstract Hydrogen-deuterium exchange (HDX) combined with mass spectrometry (MS) is a powerful technique for studying changes in protein structure and dynamics upon ligand binding. Protein-ligand complexes can result in increased protection of peptide-bond amides in HDX indicating protein structure stabilization. We have characterized the interaction of lead inhibitor candidates towards the KRas G12D oncoprotein by intact protein and bottom-up HDX-MS in combination with molecular dynamics (MD) simulations. Significant differences in HDX protection were detected upon inhibitor binding in the flexible switch-II pocket of the protein. We identified a correlation between ligand binding affinities and corresponding changes in protection. MD simulations of the free and inhibitor-bound KRas G12D proteins revealed changes in the hydrogen bond network of backbone amides in the switch-II region upon inhibitor binding, explaining the observed HDX protection. This combined HDX-MS and MD analysis approach provides a mechanistic picture of the KRas G12D protein-inhibitor interactions and may be a useful tool for future drug design efforts. KRAS ; Molecular dynamics ; Dynamics (music) ; Characterization (materials science) ; Physics ; Chemistry ; Computational chemistry ; Mutation ; Optics ; Biochemistry Enzyme Structure and Function ; Computational Drug Discovery Methods ; Protein Structure and Dynamics
Authors: Zhihao Chen | Pengxu Ran | Jiexiong Sun | Fengmiao Li | Zhixin Yao | Lei Liu | Juan Jiang | Zhi Cheng
Source: ArXiv.org (article, 2025-12-22)
Field: Materials Science — Materials Chemistry

Gate-imprinted memory and light-induced erasure of superconductivity at KTaO_3-based interfaces Realizing non-volatile control of superconductivity is a key step toward integrating memory and quantum functionality in future information technologies. KTaO_3-based heterostructures uniquely host both interfacial two-dimensional superconductivity and a quantum paraelectric lattice background. The coupling between these two degrees of freedom potentially provides a promising route to encode memory directly into the superconducting state. Here, we reveal two intertwined phenomena in AlO_x/KTaO_3 heterostructures: a gate-history memory in which progressive electrostatic cycling enhances the superconducting transition temperature, and its complete erasure by light illumination at cryogenic temperatures. These phenomena arise from a previously unrecognized interplay between the superconducting interface and emergent lattice excitations - including polar-nanoregion reorientation and oxygen-vacancy ionization. These results demonstrate reconfigurable and non-volatile superconductivity at correlated oxide interfaces, opening a pathway to combine dissipationless transport with non-volatility for superconducting neuromorphic elements. Superconductivity ; Heterojunction ; Neuromorphic engineering ; Erasure ; Lattice (music) ; Quantum ; Quantum computer ; Quantum dot Electronic and Structural Properties of Oxides ; Ferroelectric and Negative Capacitance Devices ; 2D Materials and Applications
Authors: Jie Li | Weiming Guo | Peng Zou | Coco Chu | Jiarui Wu | Zijian Guo | Yan Huang | Junlin Yang | Peng R. Chen
Source: National Science Review (article, 2025-11-06)
Field: Chemistry — Organic Chemistry

Molecular tools for decoding multicellular systems: from mechanisms to medicine Cell-cell communication (CCC) is fundamental to essential biological processes including growth, differentiation, immune surveillance, and tissue homeostasis, and its dysregulation underlies various diseases such as cancer, autoimmunity, and neurodegeneration. In response to growing interest in decoding complex multicellular interactions, the 380th Shuangqing Forum entitled 'Chemical, Biological, and Medical Frontiers in Multicellular Complex Systems' was convened, providing a platform to discuss recent interdisciplinary breakthroughs. This review, emerging from forum discussions, highlights the latest advancements in molecular tools-such as super-resolution imaging, proximity labeling, bioorthogonal chemistry, synthetic receptors, and single-cell spatial omics-that enable unprecedented insights into spatial, molecular, and functional aspects of CCC. Emphasizing their translational potential, we discuss their profound implications for immuno-oncology, regenerative medicine, and autoimmune diseases. We further outline current challenges and opportunities, particularly advocating for a future precision medicine framework centered around targeted modulation of cell-cell interactions. Multicellular organism ; Decoding methods ; Immune system ; Bioorthogonal chemistry ; DECIPHER ; Translational medicine Click Chemistry and Applications ; Biotin and Related Studies ; Protein Degradation and Inhibitors
Authors: David Andrieux
Source: arXiv (Cornell University) (preprint, 2025-01-09)
Field: Chemistry — Electrochemistry

Control Strategies for Maintaining Transport Symmetries Far From Equilibrium We present two strategies for controlling the transport dynamics of mesoscopic devices. In both cases, we manipulate the system's output - such as particle currents and energy flows - while maintaining symmetric transport properties, even under far-from-equilibrium conditions. We provide exact descriptions of each scheme and investigate their characteristics. Notably, one of them minimizes the dissimilarity between the original and modified processes, as quantified by the Kullback-Leibler divergence. These findings can be used to improve the design and control of mesoscopic systems. Autocatalytic reaction ; Homogeneous space ; Control (management) ; Mathematical economics ; Economics ; Computer science ; Physics ; Statistical physics ; Mathematics ; Artificial intelligence Electrochemical Analysis and Applications
Authors: Merve Kevkir | Nesrin Kelebek | Özge Saltan | Burcu Nilgün Çetiner
Source: DÜMF Mühendislik Dergisi (article, 2025-06-30)
Field: Materials Science — Materials Chemistry

Savunma Sanayisinde Kullanılan HS 188 Süperalaşımının Oksidasyonu Üzerine Nitrasyon Etkisinin İncelenmesi HAYNES 188 (HS 188) alaşımları, yüksek sıcaklık dayanım özellikleri sayesinde içten yanmalı motor bileşenleri, yanma odası ve roket nozulu gibi oksidatif ortamlara uzun süreli maruz kalmaya dayanıklıdır ve bu nedenle uçak ve tank motorları için uygundur. Bu çalışmada, HS 188 alaşımından altlıkların üzerine uygulanacak gaz nitrasyonu prosesi aracılığıyla yüzey ve yüzey altında oksidasyon direncinin artırılması hedeflenmektedir. Çalışmanın kapsamı içinde, malzeme temini sağlanmış ve malzemenin karakterizasyonu ile metalografik incelemesi gerçekleştirilmiştir. Numuneler, gaz nitrasyon işlemine tabi tutulmuş ve ardından 1175 °C'de hava ortamında 10 gün süreyle izotermal oksidasyon testine tabi tutulmuştur. Numunelerin oksidasyon işlemlerinin ardından, numunelerin ağırlık değişimleri analitik terazi ile ölçülmüş ve performans karakterizasyonu SEM-EDS, XRF ve XPS analizi ile birlikte mikrosertlik testleri ile gerçekleştirilmiştir. Bu bulguların amacı, HS 188 alaşımının yüksek sıcaklıkta operasyonel performansını artırmak ve böylece modern uçak motoru parçalarının tasarım ve geliştirilmesine yardımcı olmaktır. Ayrıca, çalışmanın Türkiye'nin yerel ve ulusal motorlarının bilgi birikimine katkı açısından gelişimine katkı sağlaması beklenmektedir. Mathematics Catalytic Processes in Materials Science ; High-Temperature Coating Behaviors ; Metal and Thin Film Mechanics
Authors: Ana Patrícia Ribeiro Lopes | Márcio José Moutinho da Ponte | Rafael de Aguiar Rodrigues | Victor Hugo Pereira Moutinho
Source: Ciência e Natura (article, 2025-04-01)
Field: Chemistry — Organic Chemistry

Computer vision-based wood identification: an approach with LPQ and GLCM descriptors integrated with Ensemble classification Given the recognized relevance of botanical identification for forest management and biodiversity conservation, this paper proposes the identification of plant species wood anatomy using computer vision techniques. Microscopic images of 30 species were sourced from the Forest Species Database and captured using an Olympus CX40 microscope at 100x magnification, ensuring high detail. Pre-processing techniques, including normalization and feature extraction, were applied to enhance texture and color characteristics. Statistical, structural, and spectral descriptors such as LBPHF 24,3 and the combination of LPQ and GLCM (GHS) were utilized. These descriptors were analyzed with MATLAB and classified using robust methods, including Ensemble classifiers. Cross-validation ensured reliability, and results achieved assertiveness rates of 96.7% and 99.3% for LBPHF and LPQ-GLCM combinations, respectively. This study demonstrates the effectiveness of automated methods in enhancing botanical identification processes, offering precise and efficient tools for forest management and biodiversity conservation. Normalization (sociology) ; Identification (biology) ; Pattern recognition (psychology) ; Feature (linguistics) ; Relevance (law) ; Biodiversity ; MATLAB Wood and Agarwood Research ; Remote Sensing and LiDAR Applications ; Microbial Metabolism and Applications