jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Soner Kızıloluk | Mücahit Karaduman | Serpil Aslan | Muhammed Yıldırım | Muhammad Attique Khan | Fatimah Alhayan | Yunyoung Nam
Source: Scientific Reports (article, 2025-05-25)
Field: Chemistry — Analytical Chemistry

A novel feature fusion and mountain gazelle optimizer based framework for the recognition of jute pests in sustainable agriculture Sustainable agriculture is an approach that involves adopting and developing agricultural practices to increase efficiency and preserve resources, both environmentally and economically. Jute is one of the primary sources of income grown in many countries. At this stage, increasing efficiency in jute production and protecting it from pests is essential. Detecting jute pests at an early stage will not only improve crop yield but also provide more income. In this paper, an artificial intelligence-based model was suggested to detect jute pests at an early stage. In this developed model, two different pre-trained models were used for feature extraction. To improve the performance of the developed model, the features obtained using the DarkNet-53 and DenseNet-201 models were combined. After this stage, the metaheuristic Mountain Gazelle Optimizer (MGO) was used, allowing the developed model to work faster and achieve more successful results. Feature selection was carried out using MGO; thus, more successful results were obtained with fewer, more compelling features. The proposed model was compared with six different models and five different classifiers accepted in the literature. In the developed model, 17 different jute pests were detected with 96.779% accuracy. The accuracy value achieved in the developed model is promising in successfully detecting jute pests. Agriculture ; Feature (linguistics) ; Sustainable agriculture ; Computer science ; Business ; Agroforestry ; Agricultural engineering ; Biology ; Ecology ; Engineering Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Smart Agriculture and AI
Authors: José Nicodemos Pinto | Andreia Pereira | Ana Rita R. Silva | Diogo N. Cardoso | Amid Mostafaie | Fábio Campos | Iryna Rehan | Olga Moreira | Ivã Guidini Lopes | Daniel Murta | Alexandra Afonso | Margarida Oliveira | Karina S. Silvério | Maria Teresa Santos | Fátima Carvalho | Adelaide Almeida | Susana Loureiro
Source: Toxics (article, 2025-07-30)
Field: Chemistry — Organic Chemistry

A Comprehensive Ecotoxicological Evaluation of a Treated Olive Mill Wastewater and Obtained Sludge Olive mill wastewaters (OMWWs) are an environmental problem in the Mediterranean region, and it is crucial to explore strategies for their treatment and repurposing. The chemical precipitation technique (CPT) has been presented as a cost-effective wastewater treatment solution that might be applied to OMWW. The CPT-resulting precipitant subproducts (sludge) may be reprocessed (e.g., agricultural fertilizer and/or soil amendment), while the treated wastewater may be repurposed or reused (e.g., irrigation, aquaponic, or industrial processes). This study aimed to evaluate the efficacy of CPT in treating wastewater from the olive oil industry from an ecotoxicological perspective. Additionally, to assess the safe use of the obtained sludge in CPT treatment, its effects on soil biota were assessed. For this, a set of ecotoxicological assays using freshwater (<i>Raphidocelis subcapitata</i>, <i>Daphnia magna</i> and <i>Danio rerio</i>), terrestrial invertebrates (<i>Folsomia candida</i> and <i>Enchytraeus crypticus</i>), and plants (<i>Brassica oleracea</i> and <i>Lolium perenne</i>) were used as model organisms. Results demonstrated that CPT reduced OMWW toxicity to freshwater organisms, offering a favorable outlook on CPT's potential as a wastewater treatment method. Increasing application rates of sludge in soil reduced the shoot biomass and the hydric content of both plants compared to the control. Survival of <i>F. candida</i> and <i>E. crypticus</i> was not affected by sludge in soil at any tested application rate, yet sludge application negatively affected the reproduction of both species, even at relevant sludge application rates (2%) of sludge in soils. Overall, the applicability of this sludge obtained by the CPT treatment in soils should be carefully evaluated due to the observed adverse effects on soil biota. Although the results of CPT were promising in reducing the toxicity of OMWW for these aquatic species, some adjustments/improvements should be performed to improve this technique and use all the obtained resources (treated water and sludge) in a fully circular perspective. Ecotoxicity ; Wastewater ; Sewage treatment ; Environmental science ; Sewage sludge ; Amendment ; Biosolids ; Daphnia magna ; Environmental chemistry ; Irrigation ; Agronomy ; Environmental engineering ; Biology ; Chemistry Edible Oils Quality and Analysis ; Cassava research and cyanide ; Aquatic Ecosystems and Phytoplankton Dynamics
Authors: T. N. Guma | Jacob O. Aremo Jacob O. Aremo
Source: International Journal of Advances in Engineering and Management (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

A Review of Up-To-Date Research Knowledge on the Corrosion Inhibiting Capability of Garlic (Allicin Sativum) for Steel Materials Corrosion is a monumental economic and technological problem worldwide. Despite the poor corrosion resistance of steel material, contributing to about 90% of all corrosion problems worldwide, it remains the most versatile and critical structural material in the construction of automobiles, ships, aircraft, rail transport systems, engine systems, pipeline systems, bridges, buildings, petroleum refineries, etc. Corrosion inhibitors are effective alternatives for protecting steel against corrosion in aqueous environments. Synthetic corrosion inhibitors pose serious problems to global environmental issues and health risks in usage to reduce corrosion of large amounts of steel goods, so natural plant extracts have been under study for replacing synthetic inhibitors in various environments due to their excellent environmental properties, handling safety, and good corrosion inhibition capabilities. This paper aims to present up-to-date research knowledge on the corrosion inhibition capability of garlic for steel materials, covering its requirements as a potential corrosion inhibitor and various research studies on its steel corrosion inhibition capability in various aqueous environments as integrated knowledge for application. The review shows that garlic is a very effective corrosion inhibitor of steel corrosion. It is also a safe-for-handling, biodegradable, and ecofriendly plant that is sustainably available around the world. Its extracts can be dependably prepared in sufficient quantity around the world for corrosion inhibition of steel materials and some other purposes. However, little is seen to have been done with the existing research findings for practical protection of steel materials in various aqueous environments. The review information is therefore posited for standardization and commercialization consideration of garlic extracts as corrosion inhibitors for practical corrosion inhibition of steel materials or further research requirements. Allicin ; Allium sativum ; Corrosion ; Engineering ; Sativum ; Metallurgy ; Materials science ; Chemistry ; Botany ; Biology ; Food science Corrosion Behavior and Inhibition
Authors: Sujata S. Biswas | Andreas Löffler | Pushkar Bansal | Randall T. Peterson | Dennis Svatunek | Raphael M. Franzini
Source: Angewandte Chemie International Edition (article, 2025-08-10)
Field: Chemistry — Organic Chemistry

Combined Inductive and Dispersion Effects Enhance Bioorthogonal Reactivity of Tetrazines Toward Isonitriles Inverse-electron demand cycloaddition reactions of tetrazines are widely used in bioorthogonal chemistry, but the opposing effects of substituents on reactivity and stability make optimizing tetrazines for chemical biology applications challenging. Building on the discovery that bulky substituents can unexpectedly enhance both the stability of tetrazines and their reactivity toward isonitriles, we hypothesized that substituents that are both bulky and electron-withdrawing could yield tetrazines with desirable properties. We synthesized a series of tetrazines designed to explore these kinetic properties. A novel computational method quantifying intermolecular atomic contributions to dispersion forces supported the analysis substituent effects on tetrazine reactivity. Study results indicate that tetrazine reactivity is governed by an interplay of frontier-orbital levels, dispersion forces, and conformational preferences. These insights were apparent in the form of a "bromo effect," where bromine atoms enhanced tetrazine reactivity by influencing frontier-orbital levels and increasing dispersion forces. Notably, 3,6-bis(2-bromopropan-2-yl)-1,2,4,5-tetrazine exhibited a ∼80-fold increase in reactivity to isonitriles compared to dimethyltetrazine with high orthogonality to other dienophiles. The 2-bromoprop-2-yl group could also be incorporated into asymmetric tetrazines for tuning reactivity properties. In addition to introducing novel tetrazines for bioorthogonal chemistry, this work provides valuable insights into the role of dispersion forces in the transition states of cycloaddition reactions. Bioorthogonal chemistry ; Tetrazine ; Reactivity (psychology) ; Chemistry ; Cycloaddition ; Computational chemistry ; Combinatorial chemistry ; Organic chemistry ; Click chemistry ; Catalysis Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Advanced biosensing and bioanalysis techniques
Authors: A. M. Finardi | C. Fasolato | Andrea Giugni | Mattia Capeccia | Riccardo Cucini | E. Cappelluti | F. Sacchetti | G. Panaccione | P. Postorino | C. Petrillo | G. Rossi
Source: npj 2D Materials and Applications (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Transient photodoping and phonon dynamics in bulk and monolayer MoS2 by time resolved Raman scattering We study the phonon dynamics of bulk and monolayer MoS2 under strong, transient photodoping by time resolved spontaneous Raman scattering (TRRS). By measuring the frequency and effective temperature evolution of each Raman active mode, TRRS allows to map the doping-induced changes in the phonon spectrum and to assess the energy transfer between the electron and phonon degrees of freedom. Our results demonstrate the occurrence of a photodoping-induced phonon renormalization and represent a first direct observation of a clear difference in the electron-phonon coupling between the “hot”, strongly coupled A-symmetry mode and the “colder” E-symmetry one. We provide a model to map the energy redistribution in bulk and monolayer MoS2, describing their different relaxation dynamics. We demonstrate that detailed information on the electronic behaviour can be drawn by probing the phonon dynamics by TRRS. That allows envisioning the tuning of electronic and transport properties of semiconducting layered materials through phononic approaches. Phonon ; Raman scattering ; Transient (computer programming) ; Monolayer ; Raman spectroscopy ; Condensed matter physics ; Dynamics (music) ; Materials science ; Scattering ; Physics ; Optics ; Nanotechnology ; Computer science ; Acoustics 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Machine Learning in Materials Science
Authors: Е. Е. Вдовин | Kirill Kapralov | Yu. N. Khanin | Ashot Margaryan | K. Watanabe | T. Taniguchi | Chan‐Ho Yang | С. В. Морозов | Dmitry Svintsov | Kostya S. Novoselov | Davit Ghazaryan
Source: npj 2D Materials and Applications (article, 2025-01-26)
Field: Materials Science — Materials Chemistry

Inelastic resonant tunnelling through adjacent localised electronic states in van der Waals heterostructures Van der Waals heterostructures offer unprecedented opportunities to design next stage functional electronic 2D devices. Most architectures of those devices incorporate large bandgap insulator – hBN as an encapsulating or tunnel barrier layers. Here, we use an architecture of gated vertical tunnelling transistors to study a generic phenomenon of electron resonant tunnelling through adjacent localised electronic states in hBN barriers. We demonstrate that in the case of two localised electronic states, the tunnelling can be of inelastic nature giving rise to explicitly strong resonant features. It allows accurate tunnelling spectroscopy of delicate features of emitting and collecting layer electronic density of states, such as second neutrality point bandgap of moiré monolayer and electric field induced bandgap of Bernal bilayer graphene. Our findings enrich the perception of interaction mechanisms among the localised electronic states in hBN barriers paving the way for future explorations into their applications. Quantum tunnelling ; van der Waals force ; Heterojunction ; Condensed matter physics ; Physics ; Atomic physics ; Materials science ; Quantum mechanics ; Molecule Graphene research and applications ; 2D Materials and Applications ; Topological Materials and Phenomena
Authors: Monika Dhall | Satish Khasa | Ashima Hooda | Jyoti Shah | RK Kotnala
Source: Journal of Integrated Science and Technology (article, 2025-01-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploring the dielectric characteristics of NBT-MFO multiferroic nanocomposites for enhanced energy storage applications Multiferroic nanocomposites with the composition (1-x) Na0⋅5Bi0⋅5TiO3 - (x) MgFe2O4, for x values of 0, 0.2, 0.5, 0.8, and 1.0, have been synthesized using the established solid-state reaction technique. A comprehensive dielectric analysis revealed significant enhancements in the dielectric properties of the nanocomposites compared to their single-phase counterparts. The relative permittivity (ε') and dielectric loss (ε'') both revealed behavior indicative of Maxwell-Wagner polarization, with pronounced dispersion observed at lower frequencies and higher temperatures. The multiferroic 0.50NBT-0.50MFO and 0.80NBT-0.20MFO nanocomposites displayed the highest dielectric constant, attributed to significant cationic disorder within the structure. The frequency-dependent capacitance and dielectric constant in the wet state revealed the promising potential of these nanocomposites for hydroelectric cell applications, due to increased lattice defects, porosity, oxygen vacancies, and unsaturated surface cations compared to single-phase NBT and MFO. The overlapping normalized impedance and modulus curve, converging onto a unified master curve, indicated temperature-invariant dynamic processes governing conduction and spatially confined relaxation. The Nyquist curves of impedance presented semicircular arcs that were suppressed, indicative of non-Debye relaxation, while the decrease in arc radii with rising temperature highlighted the semiconducting nature of the synthesized system. These findings underscore the potential of these nanocomposites for advanced applications in electronics and energy storage systems. Multiferroics ; Dielectric ; Nanocomposite ; Materials science ; Energy storage ; Dielectric response ; Condensed matter physics ; Composite material ; Physics ; Optoelectronics ; Ferroelectricity ; Thermodynamics ; Power (physics) Electromagnetic wave absorption materials ; Multiferroics and related materials ; Dielectric materials and actuators
Authors: René de Bruijn | Anton A. Darhuber | Jasper J. Michels | Paul van der Schoot
Source: Advanced Materials Interfaces (article, 2025-02-06)
Field: Materials Science — Materials Chemistry

Periodic Phase‐Separation During Meniscus‐Guided Deposition Abstract The meniscus‐guided coating (MGC) of a binary fluid mixture containing a solute and a volatile solvent that undergoes spinodal decomposition is investigated numerically. Motivation is the evaporation‐driven deposition of material during the fabrication of organic thin film electronics. A transition in the phase‐separation morphology from an array of droplet‐shaped domains deposited periodically parallel to the slot opening to isotropically dispersed solute‐rich droplets with increasing coating velocity is found. This transition originates from the competition between the injection of the solution into the film and diffusive transport that cannot keep up with replenishing the depletion of solute near the domains. The critical velocity of the transition is determined by the ratio of two length scales: i) the spinodal length, which implicitly depends on the evaporation rate and the properties of the solution, and ii) a depletion length proportional to the ratio of the diffusivity of the solute and the coating velocity. For coating below the critical velocity, the domain size and deposition wavelength are proportional to a solute depletion length. This competition in the mass transport is inherent in any kind of unidirectional deposition of demixing solutions and the findings should therefore apply to many coating techniques and forced demixing processes. Materials science ; Meniscus ; Deposition (geology) ; Separation (statistics) ; Phase (matter) ; Chemical engineering ; Nanotechnology ; Composite material ; Optics ; Organic chemistry ; Computer science Block Copolymer Self-Assembly ; Force Microscopy Techniques and Applications ; Nanofabrication and Lithography Techniques
Authors: Constantin Schwetlick | Max Schammer | Arnulf Latz | Birger Horstmann
Source: Electrochimica Acta (article, 2025-08-26)
Field: Chemistry — Electrochemistry

Modelling the influence of solvation on the electrochemical double layer of salt/solvent mixtures We previously presented a thermodynamic continuum model for electrolytes. In this paper we include solvation interactions between the ions and solvent, which alter the structure of the electrochemical double layer (EDL). We combine a local solvation model with a full electrolyte model and investigate double layer structures for a wide range of electrolytes, especially including highly concentrated solutions. We find that some of the parameters of our model significantly affect the solvent concentration at the electrode surface and thereby the rate of solvent decomposition. An increased salt concentration weakens the solvation shells and eases ion desolvation at the electrode surface. The strength of the ion-solvent interaction also shifts the potential required for desolvation. Thus, our theory qualitatively predicts EDL structures for different electrolytes based on parameters like molecule size, solvent binding energy and salt concentration. • We present a continuum electrolyte model to describe the solvation shell structure in the EDL. • We can predict a desolvation potential, above which the solvation shell is stripped from the ion. • Salt concentration, ion-solvent-binding strength and salt symmetry significantly influence EDL structure. Solvation ; Electrochemistry ; Solvent ; Salt (chemistry) ; Chemistry ; Inorganic chemistry ; Layer (electronics) ; Organic solvent ; Chemical engineering ; Electrode ; Organic chemistry ; Physical chemistry Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Chemical and Physical Properties in Aqueous Solutions
Authors: Da-Yong Liu | Zhe Sun | Feng Lu | Weihua Wang | Liang‐Jian Zou
Source: Physical review. B./Physical review. B (article, 2025-06-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Universal quasidegenerate orbital origin of two-dome phases in iron pnictide superconductors A series of experiments revealed that novel bipartite magnetic and superconducting (SC) phases widely exist in the phase diagrams of iron pnictides and chalcogenides. Nevertheless, the origin of the two-dome magnetic and SC phases in iron-based compounds remains unclear. Here we theoretically investigated the electronic structures, magnetic and SC properties of three representative iron-based systems, i.e. LaFeAsO$_{1-x}$H$_{x}$, LaFeAs$_{1-x}$P$_{x}$O and KFe$_{2}$As$_{2}$. We propose a unified quasi-degenerate orbital mechanism for the emergence of the two-dome parent magnetic/structural phase and the subsequent two-dome SC phase. It is found that the degenerate in-plane anisotropic $d_{xz/yz}$ orbitals dominate the first magnetic/structural and SC phases, while in-plane isotropic orbitals $d_{xy}$ or $d_{3z^{2}-r^{2}}$ with quasi-degeneracy originating from quasi-symmetry drive the emergence of the second magnetic/SC dome phase. Moreover, a matching rule of spin and orbital modes for SC pairing state is proposed in multi-orbital iron-based systems. These results imply an orbital-driven mechanism as well as an orbital-selective scenario, and shed light on the understanding of the multi-dome magnetic and SC phases in multi-orbital systems. Pnictogen ; Dome (geology) ; Superconductivity ; Degenerate energy levels ; Condensed matter physics ; Physics ; Geology ; Quantum mechanics ; Paleontology Iron-based superconductors research ; Intellectual Capital and Performance Analysis
Authors: Mohammad Shah Jamal | Victor Pierron | T. B. Tagiyev | Jérémy Blond | S. Guillous | C. Grygiel | Stéphane Flament | Bruno Guillet | Zhe Wang | Darrell G. Schlom | I. Monnet | Laurence Méchin | M. Sall
Source: Advanced Functional Materials (article, 2025-06-23)
Field: Materials Science — Materials Chemistry

Structural and Chemical Studies of the Nanoscale Modifications Induced by Swift Heavy Ion Irradiation in SrTiO <sub>3</sub> at Grazing Incidence Abstract Swift Heavy Ion (SHI) irradiation offers a powerful approach for tailoring structural and chemical properties of materials through precise energy deposition mechanisms. This study explores nanoscale structural and chemical transformations induced by SHI irradiation in SrTiO 3 (STO) thin films. A 20 nm STO layer, grown on a Si (001) substrate by molecular beam epitaxy, is irradiated with 71 MeV 129 Xe 19+ ions at a grazing incidence angle of 3°. Atomic force microscopy and reflection high‐energy electron diffraction reveal the formation of amorphous nanohillocks aligned with the ion tracks, exhibiting increased roughness with nanoscale ion tracks forming a ripple pattern. High‐resolution scanning transmission electron microscopy combined with electron energy loss spectroscopy identifies structural phase separation within the hillocks, characterized by SrO and TiO x segregation, along with compositional shifts, including Sr depletion and localized oxygen deficiency. Analyses of the fine structures of Ti L 2,3 and O K edges highlight oxygen vacancies and the partial reduction of Ti 4+ to Ti 3+ in the hillocks. These findings provide critical insights into the mechanisms of SHI‐induced structural and chemical modifications, with potential implications for defect engineering and nanostructuring in oxide materials. Materials science ; Swift heavy ion ; Nanoscopic scale ; Swift ; Irradiation ; Ion ; Grazing ; Nanotechnology ; Incidence (geometry) ; Optics ; Nuclear physics ; Astrophysics ; Organic chemistry ; Physics ; Fluence ; Biology ; Botany Electronic and Structural Properties of Oxides ; Nuclear materials and radiation effects ; Ion-surface interactions and analysis