jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Maximiliano Cainzos | Dolores Pissolato | Hu Chen | Nazeer Fataftah | Sanchali Nanda | Stefan Jansson
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-09-07)
Field: Materials Science — Materials Chemistry

Sustained quenching not always means photoinhibition Abstract Photosynthetic light harvesting complexes (LHC) are involved in light absorption and energy dissipation. By modulating the photosystems absorption cross section, they affect their photosynthetic activity and non-photochemical quenching (NPQ) capacity. These processes have been widely studied by spectrally integrated chlorophyll fluorescence methods, which mask their associated spectral information. We explored in aspen and Arabidopsis npq mutants how the absence of these components affects the development of NPQ spectra under two contrasting conditions: in the absence and presence of photoinhibition. We proposed a new parameter to estimate the development of new emitting species (NESD) during time-spectrally resolved NPQ inductions and a pipeline to disentangle PSII energy partitioning heterogeneity. We demonstrate that LHCB, PsbS and zeaxanthin is required for NESD. By combining gas exchange with spectrally resolved kinetics, we show that under photoinhibitory conditions, however, NES develops in the absence of PsbS and zeaxanthin, and the resulting sustained quenching occurring independently of photoinhibition. Furthermore, we found that in the absence of LHCB and Curvature Thylakoid 1 a significant increase in photoinhibition was observed. This suggest that in the long term effective photoprotection requires the presence of LHCB and thylakoid plasticity, while PsbS and zeaxanthin play a major role in catalyzing LHCII-dependent quenching. Photoinhibition ; Photoprotection ; Non-photochemical quenching ; Thylakoid ; Quenching (fluorescence) ; Photosystem ; Photosynthesis ; Chlorophyll fluorescence Photochromic and Fluorescence Chemistry
Authors: Deepshikha Priyadarshini | Ronedy Naorem | Marek P. Szymański | Oksana Danylyuk | Michał J. Chmielewski | Agnieszka Szumna
Source: ChemRxiv (preprint, 2025-05-04)
Field: Chemistry — Spectroscopy

Tuneable anion recognition at the lower rim of resorcin[4]arenes: strength, selectivity, and transport Selective anion binding and transport are critical in many chemical and biological settings. CH-bonding receptors, which rely on nonclassical CH⋅⋅⋅anion hydrogen bonds, offer a pH-independent alternative to traditional hydrogen-bonding hosts; however, their design is challenged by the inherently weak nature of CH⋅⋅⋅anion interactions. This study presents modified resorcin[4]arenes as versatile scaffolds to address this challenge. By the introduction of electron-withdrawing groups (EWGs) at the upper rim, we effectively convert electron-rich resorcin[4]arenes into potent anion receptors. A series of resorcin[4]arenes bearing -Br, -CHO, -NO2, and -CN substituents exhibit a systematic enhancement in anion binding affinity, reaching a record value for the CN-substituted receptor: Ka (Cl⁻, THF) = 7×10⁵ M−1. The logKa values of this series of receptors correlate strongly with the electrostatic potential (ESP) at the anion binding site, calculated by DFT methods. In addition, incorporating hydroxyl-terminated alkyl chains at the lower rim promotes the formation of higher-order complexes and further boosts anion binding, even in competitive aqueous–organic media. Notably, these hydroxyalkyl-footed receptors display exceptional selectivity for HSO4−, with a selectivity factor of 17 over similar tetrahedral oxyanions. Transmembrane anion transport studies in large unilamellar vesicles reveal that the nitro-substituted resorcin[4]arene is by far the most effective chloride transporter in this series, followed by the CN-substituted one, emphasizing that the most strongly binding receptors are not necessarily the most efficient transporters. Collectively, these results highlight the potential of resorcin[4]arenes as tuneable platforms for tailoring anion binding strength, selectivity, and anionophoric properties through simple peripheral modifications. Selectivity ; Chemistry ; Ion ; Organic chemistry ; Catalysis Molecular Sensors and Ion Detection ; Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Sensors
Authors: Ranjith Kore | Dewei Rao | Someshwar Pola
Source: IOSR Journal of Applied Chemistry (article, 2025-06-01)
Field: Chemistry — Spectroscopy

A Highly Selective And Sensitive Pyrazole-Based Chemosensor For Naked-Eye And Spectroscopic Detection Of CU (II) Ions A novel pyrazole derivative, 3-(1,3-bis(4-bromophenyl)-1H-pyrazol-4-yl)-2-(4-bromophenyl) acrylonitrile (BPPBPA), has been successfully synthesized and investigated as a highly selective and sensitive chemosensor for the detection of Cu (II) ions. Both absorption and emission spectroscopic studies clearly demonstrate the sensing capabilities of BPPBPA. Upon interaction with Cu (II) ions, the absorption spectrum exhibited a noticeable red-shift in wavelength accompanied by a decrease in intensity, indicating complex formation. Concurrently, the emission spectrum showed significant quenching, attributed to the coordination of Cu (II) ions with the pyrazole ring nitrogen atoms and the inherent paramagnetic nature of Cu (II). Further experimental evidence from Vibrating Sample Magnetometry (VSM) studies corroborated the paramagnetic characteristics of the BPPBPA-Cu (II) complex. The successful formation of the BPPBPA-Cu (II) complex was definitively confirmed through X-ray Photoelectron Spectroscopy (XPS), ESR and VSM analysis. This work highlights BPPBPA as a promising candidate for the selective and sensitive optical detection of Cu (II) ions in various applications Naked eye ; Pyrazole ; Ion ; Chemistry ; Photochemistry ; Stereochemistry ; Chromatography ; Detection limit ; Organic chemistry Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors ; Electrochemical sensors and biosensors
Authors: Yang Yang | Jiu-Ning Wang | Liang Hu | Qasim Qasim | Xuecheng Liu | Wei Xu
Source: BMC Oral Health (article, 2025-07-02)
Field: Materials Science — Materials Chemistry

Atomic scale insight into the adsorption mechanism of aspartic acid on Ti-6Al-4V dental implants: a combination of DFT and AIMD Aspartic acid (Asp) serves as a critical component in surface modification strategies for Ti-6Al-4V dental implants, although the adsorption mechanisms of Asp on Ti-6Al-4V oxide layers remain unclear. Herein, the adsorption mechanisms of Asp on pristine and V or Al doped rutile TiO<sub>2</sub> (110) surfaces are systematically investigated using density functional theory (DFT) and ab initio molecular dynamics (AIMD). Pristine TiO<sub>2</sub> exhibits fifteen distinct Asp adsorption configurations, with the more stable configurations primarily governed by synergistic dual-functional group coordination and proton transfer mechanisms, which collectively enhance binding strength. AIMD simulations reveal the dynamic adsorption evolution of the Asp functional group at room temperature, involving molecular reorientation and facile hydroxyl proton migration. Electronic structure analyses demonstrate that localized electron-deficient regions at 5-fold coordinated Ti sites and d-orbital-driven covalent bonding dominate the robust Asp anchoring. The doping of Al or V reduces electron transfer at surface active sites compared to pristine TiO<sub>2</sub> following Asp adsorption, thereby weakening the adsorption strength between the substrate and Asp. Al doping at 5-fold coordinated Ti sites directly weakens the adsorption strength because of its reduced electron-donating capacity and diminishing orbital overlap with non-localized sp<sup>3</sup>-hybridized orbitals of Al (E<sub>ads</sub> is decreased by ~ 20%). In contrast, V doping at 6-fold coordinated Ti sites induces long-range electronic perturbations, indirectly lowering the adsorption strength of 5-fold coordinated Ti sites (E<sub>ads</sub> is reduced by ~ 6%). The obtained results indicate that the doped Al and V atoms in TiO<sub>2</sub> formed on the Ti-6Al-4V surface detrimentally impacts bioactive molecular coatings, necessitating mitigation strategies. This work provides atomic-scale insights for engineering TiO<sub>2</sub>-based biointerfaces, balancing dopant effects and adsorption performance in implant design through tailored surface oxidation protocols. Medicine ; Oral and maxillofacial surgery ; Adsorption ; Aspartic acid ; Mechanism (biology) ; Dentistry ; Biochemistry ; Physical chemistry ; Amino acid ; Chemistry X-ray Diffraction in Crystallography ; Crystallography and molecular interactions ; Radioactive element chemistry and processing
Authors: Michał Czerwiński | Mateusz Filipow | Klaudia Łuczak | Dorota Węgłowska
Source: Preprints.org (preprint, 2025-04-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ferroelectric Smectic Liquid Crystalline Materials with Different Degree of Chirality Ferroelectric liquid crystals (FLCs) are key materials for high-speed electro-optical applications, yet achieving optimal properties over a broad temperature range down below room temperature remains a challenge. This study presents a novel series of systematically designed FLC mixtures, incorporating achiral, monochiral, and bichiral components to optimize the mesomorphic stability, electro-optical response, and physicochemical properties. The strategic doping by chiral components up to a 0.2 weight fraction extends the temperature range of the ferroelectric phase while lowering the melting temperature. Notably, mixtures containing two chiral centers exhibit shorter helical pitches, while increasing chirality enhances the tilt angle of the director and spontaneous polarization. However, in the complex chiral mixture (CchM), spontaneous polarization decreases due to opposing vector contributions. Switching time analysis reveals that achiral–bichiral systems exhibit the fastest response, while CchM demonstrates only intermediary behaviour, caused by its high rotational viscosity. Among all formulations, mixtures containing bichiral compounds display the most favorable balance of functional properties for deformed helix ferroelectric liquid crystal (DHFLC) applications. One such composition achieves the lowest melting temperature reported for DHFLC-compatible FLCs, enabling operation at sub-zero temperatures. These findings pave the way for next-generation electro-optical devices with enhanced performance and appropriate environmental stability. Ferroelectricity ; Chirality (physics) ; Materials science ; Degree (music) ; Liquid crystalline ; Condensed matter physics ; Liquid crystal ; Crystallography ; Nanotechnology ; Optoelectronics ; Dielectric ; Chemistry ; Physics ; Chiral symmetry ; Quantum mechanics ; Acoustics Liquid Crystal Research Advancements ; Optical Polarization and Ellipsometry ; Nonlinear Dynamics and Pattern Formation
Authors: Lam Bach Bao Phuong | Le Pham Tan Quoc
Source: Mongolian Journal of Chemistry (article, 2025-12-02)
Field: Materials Science — Materials Chemistry

Green synthesis of silver nanoparticles using calamondin (Citrus microcarpa) peel essential oil and evaluation of their biological activities The exceptional biological qualities of silver nanoparticles (AgNPs), including their antibacterial, antioxidant, and anti-inflammatory capabilities, have garnered a lot of interest. The synthesis of AgNPs using plant-derived compounds is considered an environmentally friendly method, limiting the use of toxic chemicals. Among them, natural essential oils, rich in flavonoids and terpenoids, have shown effective roles as reducing agents and stabilizers. Calamondin (Citrus microcarpa) peel essential oil (CmEO), which is notable for its high limonene and flavonoid content, was chosen as the green synthesis agent in this study. AgNPs were created by reducing AgNO3 with CmEO, and they were examined using UV-Vis, FTIR, DLS, and SEM. Dynamic light scattering (DLS) and SEM based on the analysis, it was observed that the AgNPs-CmEO possessed a spherical morphology with an average particle size of approximately 204.3 nm. The UV–Vis spectrum exhibited a characteristic surface plasmon resonance peak around 420 nm. In addition, both Gram-positive and Gram-negative bacteria were susceptible to the antibacterial activity of AgNPs-CmEO. However, the activity was still lower than that of gentamicin. The antioxidant activity was moderate, with IC50 of 617.37 μg/mL (DPPH) and 385.48 μg/mL (ABTS). Overall, CmEO is a potential bioreducing agent for AgNPs synthesis, opening up potential applications in food preservation and biomedicine while indicating the need for further process optimization to improve product performance and stability. Silver nanoparticle ; Essential oil ; Environmentally friendly ; Surface plasmon resonance ; Antibacterial activity ; Reducing agent ; Nanoparticle ; Dynamic light scattering Nanoparticles: synthesis and applications ; Essential Oils and Antimicrobial Activity ; Nanocomposite Films for Food Packaging
Authors: Lorenzo Sarasino | Teruhisa Ohno | Maria Cristina Paganini
Source: Chemistry - Methods (article, 2025-01-21)
Field: Materials Science — Materials Chemistry

Optimised Synthesis of Rhombic dodecahedral Cu<sub>2</sub>O Nanoparticles: A Pathway to Superior Morphological Control Abstract Cuprous oxide (Cu 2 O) nanoparticles hold significant promise for photocatalytic applications due to their narrow bandgap and high surface reactivity. This study focuses on the synthesis of rhombic dodecahedral Cu 2 O (RD‐Cu 2 O) nanoparticles, totally enclosed by {110} facets, known to exhibit superior photocatalytic performance over the other low‐index crystallographic facets. The precise control over the synthesis conditions can significantly enhance the exposure of this highly active face and therefore improve the catalytic performance of Cu 2 O nanoparticles, making them superior for applications in pollutant degradation, organic reactions, and artificial photosynthesis. We systematically optimised the synthesis parameters, including reactants concentration, pH and other reaction conditions, to achieve a significant scale up of well‐defined RD‐ Cu 2 O nanoparticles production, strictly necessary for the use of this photocatalyst on a larger scale. The optimised and scaled up synthesis require 2.0 mmol of CuCl 2 , 6.0 mmol of Sodium dodecyl sulphate (SDS), 9.6 mmol of NH 2 OH ⋅ HCl and 7.0 mmol of NaOH added in this order to 400 ml of water at 25 °C. The optimised nanoparticles demonstrated a narrow size distribution and a high degree of crystallographic control. Characterisation techniques such as FESEM, XRD, EPR, UV‐Vis spectroscopy, and XPS confirmed the improved morphological and structural properties of the synthesised RD‐Cu 2 O nanoparticles. Dodecahedron ; Nanoparticle ; Materials science ; Crystallography ; Nanotechnology ; Chemistry Copper-based nanomaterials and applications ; ZnO doping and properties ; Electronic and Structural Properties of Oxides
Authors: Maria‐Beatrice Coltelli | Marco Santin | Giulio Panicucci | Andrea Lazzeri | Stefano De Trovato | Simone Arca | Enrico D’Alessandro | Daniele Pietra | Francesca Cartoni | Antonella Castagna
Source: Polymers (article, 2025-12-16)
Field: Materials Science — Biomaterials

Chitosan from Virgin and SFE-Spent Fungi as a Raw Material for Disinfecting Gels The valorization of extraction residues from biomass waste through a cascade approach contributes significantly to promote circular economy practices and facilitates the transition toward more sustainable functional materials, like chitosan. Virgin and spent fungal biomass, previously subjected to supercritical fluid extraction (SFE) using CO<sub>2</sub>, was further processed through demineralization and deproteinization to isolate chitin. This chitin was then deacetylated to obtain chitosan, and the yield of each step was evaluated. Although the extraction process requires further optimization, all the samples were characterized using infrared spectroscopy to assess compositional changes resulting from the treatments and compared with commercial counterparts. Chitosan solutions in acidic water were used to formulate hydroalcoholic gels, with ethanol pretreatment enabling compatibility between chitosan and alcohol. This study highlights the potential of chitosan-sourced from shrimps or fungi-as a sustainable raw material for disinfecting-gel applications, offering promising insights into its role in polymer-based formulations. Chitosan ; Demineralization ; Raw material ; Chitin ; Extraction (chemistry) ; Supercritical fluid ; Supercritical fluid extraction Nanocomposite Films for Food Packaging ; Polymer Foaming and Composites ; Biofuel production and bioconversion
Authors: Yinghui Gao | Yinping Miao | Xiaolan Li | Wei Nie | Yanxi Wang | Zhuoyang Han | Youlian Wang | Xuqi Wang | Rui Yang | Ran Wang | Jianquan Yao
Source: Nanophotonics (article, 2025-10-28)
Field: Materials Science — Materials Chemistry

Highly sensitive broadband photodetector based on PtSe <sub>2</sub> photothermal effect and fiber harmonic Vernier effect Platinum diselenide (PtSe<sub>2</sub>), a two-dimensional material, has shown exceptional promise in photodetection applications because of its air stability, high carrier mobility, and layer-tunable bandgap. However, conventional photoconductive modes face challenges with high dark currents. To address this limitation, all-optical fiber detection technology with high sensitivity and response, has emerged as a promising approach for developing PtSe<sub>2</sub>, based devices. In this study, a high-sensitivity broadband photodetector based on PtSe<sub>2</sub> with a cascaded Fabry-Pérot interferometer (FPI) is proposed, which utilises the broad spectral absorption property of PtSe<sub>2</sub> and the interference enhancement mechanism of cascaded F-P cavities to achieve high-sensitivity broadband photodetection. The experimental results show that the detector has excellent spectral response in the 808-1,550 nm band, with a sensitivity of 3.867 nm/mW at 980 nm and a response time of 37.43 ms/129.17 ms. The sensitivity at 1,550 nm is up to 134.014 nm/mW, with a response time of 75.74 ms/28.66 ms. The double matching of 0.8 eV energy and PtSe<sub>2</sub> material, which is situated in the range of the material intrinsic absorption peak (1,200-1,600 nm), is responsible for the excellent sensitivity at 1,550 nm. It is also highly matched with the interband jump energy level, which generates more hot carriers per unit optical power and thereby increases the photothermal conversion efficiency. This study provides a new solution for the design of high-sensitivity, ultra-wideband optical fiber photodetectors, which has important potential applications in optical communications, environmental monitoring, and sensing. Photodetection ; Photodetector ; Sensitivity (control systems) ; Broadband ; Interferometry ; Photoconductivity ; Optical power ; Photothermal therapy ; Absorption (acoustics) 2D Materials and Applications ; Advanced Fiber Optic Sensors ; Plasmonic and Surface Plasmon Research
Authors: Franco King‐Chi Leung | R. Hung | Wai‐Ki Wong | Leong‐Hung Cheung | Ming‐Hin Chau | Takashi Kajitani
Source: Research Square (preprint, 2025-11-06)
Field: Materials Science — Biomaterials

Tailored Supramolecular Soft Robotics by Intermolecular Interactions Defined Aspect-Ratio of Nanoassemblies for Photocontrolled Cell-Material Interfaces Supramolecular chemistry ; Amphiphile ; Intermolecular force ; Soft materials ; Supramolecular assembly ; Supramolecular polymers ; Hydrogen bond ; Cucurbituril Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Hydrogels: synthesis, properties, applications
Authors: Catherine Deborde | Guilhem Pagés | J.-M. Bonny | Martine Lemaire‐Chamley | Annick Moing
Source: Food Chemistry (article, 2025-07-22)
Field: Materials Science — Materials Chemistry

Chemical exchange saturation transfer magnetic resonance imaging for metabolic mapping of ripening tomato fruit: Quite a challenge! Ripening ; Saturation (graph theory) ; Magnetic resonance imaging ; Nuclear magnetic resonance ; Chemistry ; Food science ; Physics ; Medicine ; Mathematics Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; Electron Spin Resonance Studies
Authors: Lan Lin | Rujia Liu | Dengchao Wang
Source: Physical Chemistry Chemical Physics (review, 2025-01-01)
Field: Chemistry — Electrochemistry

Electrochemistry in conductive nanopipettes Conductive nanopipettes have been recognized as powerful tools for electrochemical measurements and imaging of various analytes of interest (<i>i.e.</i> ions, molecules, nanoparticles and cells), owing to their nanometer-sized tip, tuneable pipette geometry, and rich charge transport features. Meanwhile, the confined electroactive interface inside the nanopipette brings many new electrochemical behaviours which are quite different from their bulk counterpart. Studying these novel electrochemical processes in conductive nanopipettes not only reveals new physical insights into electrochemistry in confined spaces but also advances the emerging applications of nanopipettes for chemical analysis. This review summarizes the recent progress of conductive nanopipettes in terms of fabrication strategies, fundamental charge transport processes, and applications, highlighting their new electrochemical features and future prospects in analytical chemistry at the nanoscale. Electrochemistry ; Electrical conductor ; Fabrication ; Nanoparticle ; Electrically conductive ; Electrode Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Conducting polymers and applications
Authors: Mohamed Salaheldeen | V. Zhukova | J.M. Blanco | J. González | А. Zhukov
Source: Metals (article, 2025-06-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advances in the Fabrication and Magnetic Properties of Heusler Alloy Glass-Coated Microwires with High Curie Temperature This review article provides an in-depth analysis of recent advancements in the fabrication, structural characterization, and magnetic properties of Heusler alloy glass-coated microwires, focusing on Co2FeSi alloys. These microwires exhibit unique thermal stability, high Curie temperatures, and tunable magnetic properties, making them suitable for a wide range of applications in spintronics, magnetic sensing, and biomedical engineering. The review emphasizes the influence of geometric parameters, annealing conditions, and compositional variations on the microstructure and magnetic behavior of these materials. Detailed discussions on the Taylor–Ulitovsky fabrication technique, X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM) provide insights into the structural properties of the microwires. The magnetic properties, including room-temperature behavior, temperature dependence, and the effects of annealing, are thoroughly examined. The potential applications of these microwires in advanced spintronic devices, magnetic sensors, and biomedical technologies are explored. The review concludes with future research directions, highlighting the potential for further advancements in the field of Heusler alloy microwires. Curie temperature ; Fabrication ; Materials science ; Alloy ; Curie ; Condensed matter physics ; Amorphous metal ; Metallurgy ; Ferromagnetism ; Medicine ; Physics Heusler alloys: electronic and magnetic properties ; Wireless Power Transfer Systems ; Magnetic Properties of Alloys