jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Devin M. Mulvey | Katsu Ogawa | Alyssa V. B. Santos | Henri C Santos | Patrick W. Schneider | Scott Simpson
Source: ChemRxiv (article, 2026-03-10)
Field: Materials Science — Materials Chemistry

Revisiting a Common Cobalt Chloride Equilibrium Experiment with Generative Artificial Intelligence We have developed and implemented a first-year undergraduate laboratory experiment at St. Bonaventure University that augments a well-established thermodynamics lab on the spectrophotometric determination of the equilibrium of cobalt(II) chloride hexahydrate with generative artificial intelligence (GenAI). Students utilized free ChatGPT accounts as a support tool in their analysis of laboratory data and iteratively refined their answers to chemical questions. Overall, the inclusion of GenAI in student workflow did not appear to negatively impact student performance, but there were instances where it struggled to produce correct answers for tasks. Descriptive analysis of student responses, chat logs, and instructor discussions suggests that students were resilient to incorrect GenAI output. This laboratory experiment is designed such that it can be easily adopted by faculty with an interest in exploring the use of GenAI in chemistry curricula. Generative grammar ; Workflow ; Inclusion (mineral) ; Experimental data ; Cobalt chloride Machine Learning in Materials Science ; Artificial Intelligence in Healthcare and Education ; Various Chemistry Research Topics
Authors: Mehmet Ali Biberci
Source: Processes (article, 2026-03-20)
Field: Materials Science — Surfaces, Coatings and Films

Temporal Wettability Dynamics in Sustainable Olive Pomace Biochar Composites: A Signal-Driven and Bat Algorithm Framework Olive pomace biochar, obtained through the pyrolysis of lignocellulosic biomass, has emerged as a sustainable and multifunctional additive for polymer composites. Its physicochemical properties, including porosity, surface area, and electrical conductivity, can be tailored by controlling feedstock type and pyrolysis conditions. Although mechanical reinforcement and thermal stability improvements are well documented, the influence of biochar on surface-related properties such as wettability and contact angle remains insufficiently explored for environmentally relevant composite systems. In this study, epoxy-based composites containing biochar synthesized at 750 °C were evaluated in terms of their water interaction behavior by monitoring the evaporation dynamics of ultra-pure water droplets (10 μL, 0.055 mS/cm conductivity) at eight time intervals between 20 and 580 s using high-resolution digital microscopy. Image enhancement and segmentation were performed prior to Discrete Cosine Transform (DCT) analysis to describe droplet geometry in the frequency domain. Time-dependent variations in the standard deviations of DCT coefficients were optimized using the Bat Algorithm, resulting in mathematical models capable of accurately representing droplet evolution and surface–fluid interactions. The primary novelty of this study lies in the development of a hybrid experimental–computational framework that integrates droplet-based wettability measurements with signal-domain analysis and metaheuristic optimization. Unlike conventional studies focusing solely on material characterization, this approach establishes quantitative relationships between surface behavior and numerical descriptors derived from DCT and the Bat Algorithm. The proposed methodology provides a data-driven tool for predicting wettability trends in biochar-reinforced composites and supports the development of moisture-resistant materials for coatings, packaging, and thermal insulation applications within the context of sustainable composite design. Biochar ; Wetting ; Pomace ; Pyrolysis ; Context (archaeology) ; Contact angle ; Raw material ; Discrete cosine transform ; Thermal Surface Modification and Superhydrophobicity ; Polymer crystallization and properties ; Nanomaterials and Printing Technologies
Authors: M. Tayfun Yıldırım | Mahmut Ahmet Gözel | Celal Fadıl Kumru
Source: Mühendislik Bilimleri ve Tasarım Dergisi (article, 2026-03-20)
Field: Materials Science — Materials Chemistry

HIGH-SENSITIVITY DETECTION OF PARTIAL DISCHARGE-INDUCING VOIDS IN MEDIUM VOLTAGE XLPE CABLES USING A NOVEL SRR-BASED MICROWAVE SENSOR Air voids within the insulation layer of high-voltage power cables constitute a significant threat to system reliability by triggering partial discharge (PD) events, which can eventually lead to catastrophic insulation breakdown. In this study, a Split Ring Resonator (SRR) sensor based on the microwave resonance technique was designed and experimentally validated for the non-destructive detection of air voids in XLPE cable insulation. Distinct from existing literature, which predominantly utilizes antenna-based structures to capture PD signals via reflection coefficients (S11), this work employs a transmission line-based sensor to detect local dielectric changes directly through transmission parameter (S21) monitoring. The developed sensor induced significant resonance frequency shifts based on the principle that air voids reduce the effective dielectric constant. Experimental analyses demonstrated that the sensor possesses sufficient penetration depth to analyze the internal structure despite the shielding effects of the semiconductor layer and the outer protective sheath. In full-scale cable tests, the reference resonance frequency of 4.42 GHz shifted to 4.60 GHz for the dominant volumetric void, 4.56 GHz for the narrow void, and 4.54 GHz for the shallow void. With frequency differences reaching up to 460 MHz relative to the reference state, the sensor enabled both defect detection and characterization. Microwave ; Electromagnetic shielding ; Dielectric ; Resonance (particle physics) ; Resonator ; Partial discharge ; Frequency response ; Penetration depth ; Voltage High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrostatic Discharge in Electronics
Authors: Doaa Mohammed Marie Helaly | Mohamed Farhat O. Hameed | Nihal Areed | S. S. A. Obayya | A. Samy Saadeldin
Source: Scientific Reports (article, 2026-03-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design, fabrication and characterization of metamaterial absorber for sensing applications A perfect metamaterial absorber (MMA) is suggested, analyzed, and fabricated for sensing applications. The reported design enhances the absorption at the resonance frequency by suppressing the reflectance and transmittance concurrently. A back metallic reflector is used to eliminate the transmission through the proposed design, while the reflection is minimized by the impedance matching between the proposed MMA and that of free space. Moreover, simultaneous electric and magnetic resonances are supported with nearly perfect absorption at the resonance frequency. The reported design has simulated absorptivity of 99.33% at 28.146 GHz which falls within the mm-Wave spectrum, a band of critical importance for next-generation 5G communication and high-frequency biosensing. Further, the fabricated absorber achieves a measured absorption of 96.5% at 28.12 GHz with a narrow absorption bandwidth. In addition, the resonance frequency strongly depends on the surrounding refractive index, which makes the absorber an effective platform for RI sensing. The simulated sensitivity of the proposed RI sensor is 9520 GHz/RIU when the analyte refractive index changes from 1.3 to 1.35 with simulated Q-factor and FoM of 817 and 427 RIU<sup>-1</sup>, respectively. A prototype is fabricated and characterized with excellent agreement with the simulation results. High measured sensitivity of 14.44 GHz/RIU is obtained (the analyte layer changed from air to water) from the prototype characterization with a Q-factor of 513 and FoM of 427 RIU<sup>-1</sup>. The potential of using the proposed metamaterial absorber as a biosensor for cancer cell detection is also demonstrated for Breast cell, Cervical cell, Jurkat cell, MCF-7 cell, and PC12 cell with an average simulated sensitivity of 9.023 GHz/RIU. Therefore, the reported perfect metamaterial absorber has good potential in sensing applications. Metamaterial ; Metamaterial absorber ; Absorption (acoustics) ; Refractive index ; Transmittance ; Impedance matching ; Fabrication ; Resonance (particle physics) ; Sensitivity (control systems) ; Reflector (photography) Metamaterials and Metasurfaces Applications ; Microwave and Dielectric Measurement Techniques ; Plasmonic and Surface Plasmon Research
Authors: Tian-Tian Zuo | Zhao Wang | Yuan-sheng Guo | Hong-Yu Jin | Lina Liu | Jing Liu | Xianlong Cheng | Feng Wei | Yongqiang Lin
Source: Frontiers in Chemistry (article, 2026-02-10)
Field: Chemistry — Analytical Chemistry

Metal element fingerprints combined with chemometrics deciphering the discrimination of different Calculus bovis and a novel risk–benefit assessment In recent years, the phenomenon of adulterated Calculus bovis being sold as cheap Calculus bovis has been continuously observed in the market. To effectively differentiate among the three products, original Calculus bovis, Bovis calculus sativus, and Bovis calculus artifactus, our group analyzed and evaluated the elements present in these products that are relevant to the therapeutic efficacy of traditional Chinese medicines (TCMs). The elements were evaluated using inductively coupled plasma mass spectrometry (ICP-MS) combined with chemometric analysis to differentiate among the abovementioned three marketed products. Chemometric analysis showed that Calculus bovis samples could be well separated based on established multi-element fingerprints, with Sr, Ca, K, V, Ti, and Al identified as the most important variables for discrimination. When Calculus bovis is medicinally used or consumed, non-carcinogenic risk assessment results indicate that the risks associated with exposure to heavy metals such as Pb, Cd, As, and Hg were acceptable for both genders. However, the hazard index (HI) of Pb in Calculus bovis exceeded 1. The results of the carcinogenicity risk assessment indicated that the carcinogenicity risk (CR) of Pb and As in all Calculus bovis samples was less than 1, indicating that the risks were acceptable. For the nutrients K, Ca, and Mg, the combined risk-benefit evaluation of the three Calculus bovis products indicated that the HI exceeded 1 across all three products, regardless of the gender of the individual consuming the medication. The benefit index (BI) for K, Mg, Cr, Se, and Mo was less than 1, indicating that risks need further consideration. The identification model developed in this study can effectively differentiate between the three marketed Calculus bovis products, aiming to address quality issues such as adulteration, forgery, under-injection, and other such concerns. Calculus (dental) ; Chemometrics ; Multivariable calculus ; Risk assessment ; Inductively coupled plasma mass spectrometry Heavy Metals in Plants ; Heavy metals in environment ; Traditional Chinese Medicine Analysis
Authors: Jack L. Bennett | Olivia Ramsay | Corinne A. Lutomski | Carla Kirschbaum | Carol V. Robinson
Source: Journal of the American Society for Mass Spectrometry (article, 2026-01-28)
Field: Chemistry — Organic Chemistry

Quantitative Mapping of NHS Ester–Protein Reactivity Using Native Top-Down Mass Spectrometry Covalent ligands are widely used to label, probe, and modulate proteins, but peptide-centric readouts obscure how modifications colocalize on intact proteoforms. This can limit insight into ligand mechanism, modification stoichiometry, and the architecture of multisite protein conjugates. We present a general native top-down mass spectrometry workflow that quantifies electrophile reactivity directly on intact proteins. Using NHS esters as a model electrophile class, we apply a deconvolution framework to infer differential reactivity at primary amines across promiscuous, multisite modification patterns. The approach preserves full modification connectivity, avoids sample-preparation artifacts associated with denaturation and digestion, and should extend to electrophiles with unknown reactivity. Overall, this framework provides a general platform for designing covalent therapeutics, bioconjugates, and activity-based probes with proteoform-level resolution. Electrophile ; Reactivity (psychology) ; Mass spectrometry ; Deconvolution ; Covalent bond ; Posttranslational modification ; Tandem mass spectrometry ; Ligand (biochemistry) Click Chemistry and Applications ; Mass Spectrometry Techniques and Applications ; Biotin and Related Studies
Authors: David Bonillo Martínez | Pablo Cano Marchal | Diego Manuel Martínez Gila | Javier Gámez García
Source: Food Analytical Methods (article, 2026-02-01)
Field: Chemistry — Analytical Chemistry

Probabilistic VNIR Hyperspectral Screening of Pesticide Residues in Olives and Leaves Abstract This study advances non-invasive screening of pesticide residues in olives by (i) extending visible–near-infrared (VNIR) hyperspectral imaging (HSI) from fruit to leaves (adaxial/abaxial) as easy-to-sample matrices; (ii) replacing hard-decision with probabilistic models, partial least squares discriminant analysis (PLS-DA) and extreme gradient boosting (XGBoost); and (iii) introducing a tunable reject-option via an indecision band to trade coverage for reliability. An intelligent pixel-selection pipeline (radiometric normalization, HSV masking of glare/defects, and mask-conditioned random sampling of $$\sim 10^4$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>∼</mml:mo> <mml:msup> <mml:mn>10</mml:mn> <mml:mn>4</mml:mn> </mml:msup> </mml:mrow> </mml:math> pixels per sample) was used. Ground-truth labels were obtained by GC–MS/MS against EU MRLs. On fruit, deltamethrin and diflufenican reached near-ceiling discrimination (AUC $$\approx 99$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>99</mml:mn> </mml:mrow> </mml:math> –100%, F1 $$\approx 97$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>97</mml:mn> </mml:mrow> </mml:math> –100%); on leaves, oxifluorfen and tebuconazole were best resolved (adaxial/abaxial AUC up to $$\approx 95$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>95</mml:mn> </mml:mrow> </mml:math> –100% with F1 $$\approx 99$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mo>≈</mml:mo> <mml:mn>99</mml:mn> </mml:mrow> </mml:math> %). In contrast, diflufenican shows reduced discriminability on leaf matrices, especially abaxial. Probabilistic outputs enabled an indeterminate label for low-confidence pixels identified via a model-specific indecision band, yielding high accuracy on accepted predictions while keeping the rejected share operationally manageable; an effective score (F1 $$_\text {eff}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mmultiscripts> <mml:mrow/> <mml:mtext>eff</mml:mtext> <mml:mrow/> </mml:mmultiscripts> </mml:math> ), defined as a coverage-penalized F1 score, summarizes this coverage–reliability balance. Overall, coupling matrix selection (fruit vs. leaf side) with probabilistic modeling and abstention delivers robust laboratory performance and a realistic pathway to field deployment at cooperative intake, where indeterminate lots can be routed to secondary handling. Hyperspectral imaging ; Probabilistic logic ; Pixel ; VNIR ; Pattern recognition (psychology) ; Pesticide residue ; Partial least squares regression ; Linear discriminant analysis ; Masking (illustration) Spectroscopy and Chemometric Analyses ; Pesticide Residue Analysis and Safety ; Remote Sensing in Agriculture
Authors: Tharindu D. Nuwarapaksha | Shashi S. Udumann | Nuwandhya S. Dissanayaka | Anjana J. Atapattu
Source: Frontiers in Climate (article, 2026-03-20)
Field: Chemistry — Inorganic Chemistry

Climate change impacts and adaptation strategies in coconut plantations: integrating remote sensing and real-time monitoring Climate change poses serious challenges to coconut plantations worldwide, affecting physiological processes, reproductive success, and overall productivity. Rising temperatures, changes in precipitation patterns, increased pest and disease incidence, and coastal degradation are threatening the sustainability of coconut production, which supports the livelihoods of millions of farmers in tropical regions. The review is a synthesis of existing information on the effects of climate change on coconut plantations and an analysis of adaptation measures incorporating advanced remote sensing and real-time monitoring systems. Satellite platforms, unmanned aerial vehicles (UAVs), and Internet of Things (IoT) sensor networks enable early and precise detection of water stress, nutrient deficiency, and disease outbreaks before the manifestation of symptoms. These technologies enable climate impact assessment, early warning, yield forecasting, and precise resource management at the palm level. To adapt successfully, it is necessary to integrate technological innovations with agronomic strategies such as the optimization of irrigation, the development of cultivar that is resistant to climatic change, and climate-wise agroforestry systems that would be more productive and create resilience. The supportive policy frameworks, institutional capacity building, affordable technology to growers and participatory research methods are the keys to the successful scaling of these solutions. Future directions involve the new biotechnologies, integration of artificial intelligence, and collaboration processes between science and practice that can offer a holistic approach to managing climate-smart coconut plantations in the face of increased environmental change. Climate change ; Sustainability ; Livelihood ; Resource (disambiguation) ; Adaptation (eye) ; Environmental degradation ; Sustainable development ; Productivity ; Warning system Coconut Research and Applications ; Cocoa and Sweet Potato Agronomy ; Oil Palm Production and Sustainability
Authors: Feng Xian | Goran Mitulović | R. Ranjith Kumar | Lukáš Uhrík | Elisabeth Urbauer | Doriane Aguanno | Dirk Haller | Manuela Schmidt | David Gomez-Varela
Source: Research Square (preprint, 2026-03-13)
Field: Chemistry — Spectroscopy

Systematic evaluation of PASEF acquisition strategies in complex metaproteomes Profiling (computer programming) ; Benchmark (surveying) ; Proteomics ; Fragmentation (computing) ; Data acquisition ; Quantitative proteomics ; Range (aeronautics) ; Scaling Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Min Li | Lixiang Meng | Gongxu Dong | Xiaobo Zhou | Lu Song | Puti Yan | Dashuang Liao | Chao Qian | Zuojia Wang | Hongsheng Chen
Source: arXiv (Cornell University) (article, 2026-03-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Programmable Electromagnetic Space via Metasurface Clusters The rapid evolution of next-generation communications and the Internet of Things (IoT) has catalyzed an urgent demand for governing expansive spatial environments as functional electromagnetic (EM) entities. However, deterministically programming such open EM spaces remains a formidable challenge, as current methodologies are largely confined to localized interfaces that lack the collective coordination required to orchestrate unbounded environments. Here, we introduce a general framework for the deterministic programming of EM space via cooperative metasurface clusters, achieved by mapping volumetric field interference landscapes onto a virtual nodal network. By representing excitations and meta-atoms as fully interconnected nodes, we transform intricate non-local interactions into tractable nodal states, enabling the precise quantitative synthesis of spatial scattering. This framework bridges local meta-atoms with global EM environment to program space as a functional entity, as demonstrated by a deeply coupled meta-emitter for programmable collective radiation and metasurface clusters that sculpt angle-resolved illusion spaces. By transitioning from individual components to cooperative multi-body assemblies, our work provides a scalable foundation for next-generation wireless networks, wave-based analog computing, and ambient intelligence, where space itself becomes a coherent functional and reconfigurable entity capable of holistic information management. Scalability ; Interference (communication) ; Space (punctuation) ; Expansive ; Wireless ; Electromagnetic interference ; Field (mathematics) ; Electromagnetic field Metamaterials and Metasurfaces Applications ; Advanced Wireless Communication Technologies ; Molecular Communication and Nanonetworks
Authors: N. Segal | Akshay Subramanian | Mingda Li | B.I. Miller | Rafael Gomez-Bombarelli
Source: Digital Discovery (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

The loss landscape of powder X-ray diffraction-based structure optimization is too rough for gradient descent While potential energy surfaces offer smooth convergence, we show that XRD similarity metrics create a highly non-convex, ill-posed loss landscape. This rugged topology severely complicates gradient-based crystal structure optimization. Gradient descent ; Similarity (geometry) ; Diffraction ; Inverse ; Descent (aeronautics) ; Symmetry (geometry) ; Crystal (programming language) ; Inverse problem X-ray Diffraction in Crystallography ; Machine Learning in Materials Science ; Advanced NMR Techniques and Applications
Authors: Diana Carmona-Cantillo | Gustavo Gonzalez-Muñoz | Alexis López-Padilla | Fabián Rico-Rodríguez | Rodrigo Ortega-Toro
Source: Polymers (article, 2026-03-11)
Field: Materials Science — Biomaterials

Development of Intelligent Composite Materials from Polyvinyl Alcohol (PVA) and Clitoria ternatea L. Anthocyanin Extract for Shrimp Freshness Monitoring The development of bioplastic films represents an alternative to conventional plastics and an opportunity for applications in intelligent packaging. The present study aimed to develop a smart material based on poly (vinyl alcohol) (PVA) incorporated with <i>Clitoria ternatea</i> L. extract, capable of monitoring shrimp freshness through colour changes associated with pH variations. The films were prepared using the casting method and characterised in terms of their physical, mechanical, structural, and functional properties. The incorporation of the anthocyanin extract (EAC) significantly intensified the colouration of the films, decreasing lightness (L*) from 88.7 to 37.1 and modifying the chromatic parameters (b from -0.16 to -22.34). Thickness increased from 109.5 μm to 184 μm as the extract concentration was raised, while water vapour permeability ranged from 0.77 to 1.79 g·m/m<sup>2</sup>·s·Pa, evidencing modifications in the structure of the polymeric matrix. From a mechanical standpoint, tensile strength decreased from 26.0 MPa to 15.2 MPa, and the elastic modulus was reduced by approximately 75.0 MPa, whereas the percentage elongation at break increased from 75.2% to 92.4%, confirming the plasticising effect of the extract. Functionally, the films exhibited a visible transition from blue to green during the refrigerated storage of shrimp, corresponding to increases in pH from 6.6 to 9.2 and total volatile basic nitrogen (TVB-N) values from 3.92 to 67.7 mg N/100 g. The formation of TVB-N followed first-order kinetics (R<sup>2</sup> = 0.997), confirming the sensitivity of the system as a freshness indicator. These results demonstrate the potential of PVA-anthocyanin films as intelligent colorimetric sensors for monitoring the freshness of protein-rich foods. Polyvinyl alcohol ; Anthocyanin ; Ultimate tensile strength ; Clitoria ternatea ; Shrimp ; Bioplastic ; SILK ; Composite number Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Date Palm Research Studies