jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Adam Bates | Jiao Li | Francisco Rivero | Katharina C. Wollenberg Valero
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-05-07)
Field: Chemistry — Spectroscopy

<i>LAMPrey</i> : a standardised method for analysing quantitative LAMP (qLAMP) and qPCR reactions using the inflection cycle threshold iCt Abstract Quantitative Loop-mediated isothermal amplification (qLAMP) is a relatively new method that has gained popularity in recent years, particularly in disease identification, including during the recent SARS-CoV-2 pandemic. Unlike conventional quantitative PCR (qPCR), qLAMP features a linear amplification phase before the exponential phase. Determining cycle threshold (Ct) values through automatic thresholding may therefore produce inaccurate results, and the nature of these thresholds complicates comparability between studies and softwares. We introduce a new method for transforming sigmoidal amplification curves into inflection threshold curve (iCt) to address issues with auto thresholds and analysis of qLAMP. This method is implemented as a collection of R functions named LAMPrey, suitable for analysis of both qPCR and qLAMP reactions performed in the two most commonly used real-time thermocyclers. We simulate qLAMP amplification differences, demonstrate that iCt and Ct methods perform equivalently for conventional qPCR with an Illumina library quantitation kit, and show that iCt values outperform Ct values for quantifying qLAMP reactions in zebrafish embryos. All scripts developed for this paper are available at https://github.com/dodged13/LAMPrey Graphical Abstract Inflection ; Inflection point ; Computer science ; Mathematics ; Artificial intelligence ; Geometry Mass Spectrometry Techniques and Applications ; Machine Learning in Materials Science ; Analytical Chemistry and Sensors
Authors: David Ibáñez | María Begoña González‐García | David Hernández‐Santos | Pablo Fanjul‐Bolado
Source: Preprints.org (preprint, 2025-09-17)
Field: Chemistry — Analytical Chemistry

Direct ECL Detection of Fentanyl Drug with Bare Screen-Printed Electrodes Electrogenerated chemiluminescence (ECL) is a powerful analytical technique that combines the best features of both electrochemical and photoluminescence methods. In this work, we present a direct ECL-based method for the detection of fentanyl using unmodified screen-printed electrodes. The analysed system consists of tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy)32+) as the luminophore and fentanyl as the co-reactant. A comprehensive optimization of the experimental parameters, such as buffer pH, luminophore concentration and working electrode material, was performed in order to maximize the ECL response. The optimal conditions are identified as PBS buffer pH 6, 2.5×10⁻³ M Ru(bpy)32+ and bare gold screen-printed electrodes. Under these conditions, the system exhibited a strong and reproducible ECL signal, with a linear response to fentanyl concentration from 1×10⁻⁷ to 1×10⁻⁵ M and a limit of detection of 6.7×10⁻⁸ M. Notably, the proposed method does not requires the electrode surface modification, sample pretreatment or complex instrumentation, offering a rapid, sensitive, and cost-effective alternative for fentanyl detection. Furthermore, the storage of bare SPEs at room temperature in a dry place ensures their stability over months or even years, overcoming the limitations offered by ECL systems based on modifications of the working electrode with different nanomaterials. These findings highlight the potential of the proposed ECL approach as a robust and sensitive tool for the detection of synthetic opioids. Its simplicity, portability, and analytical performance make it particularly attractive for forensic and clinical applications where rapid and accurate opioid screening is essential. Luminophore ; Electrode ; Detection limit ; Fentanyl ; Electrochemiluminescence ; Chemiluminescence ; Cartridge Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Sensors ; Pharmacological Effects and Assays
Authors: Yeasin Khan | Rasheeda Ansari | Khandoker Asiqur Rahaman | Bright Walker | Jang Hyuk Kwon
Source: Small (article, 2025-07-10)
Field: Materials Science — Materials Chemistry

Color‐Tunable Organic Nano‐Dots: Synthesis and Applications in Color Conversion and Security Inks This study explores the synthesis of water-based color-tunable organic nanodots (CTONDs) capable of emitting multiple colors, including white light, by adjusting the molar ratio of blue, green, and red emissive fluorophores in the particles. Spectroscopic analyses reveal that the emissions are due to Forster resonance energy transfer (FRET) between the energy donor and acceptor nanoparticles. The energy transfer efficiencies are high, reaching over 90% in the film state due to the close packing of NDs while in their film state. Various molar ratios produced different colors in both liquid dispersions and in the solid state. These CTONDs demonstrate over 60% color conversion efficiency (CCE) when applied as color conversion layers (CCLs) in light-emitting devices, maintaining photostability for over four months under ambient conditions. Additionally, their aqueous processability and multicolor tunability make them attractive for environmentally friendly display technologies, flexible optoelectronics, and anti-counterfeiting applications such as security inks. This work offers a scalable and sustainable approach to fabricating tunable, solution-processed fluorescent organic nanomaterials and underscores their promise as a versatile platform for next-generation photonic and optoelectronic applications. Materials science ; Nanotechnology ; Nano- ; Structural coloration ; Quantum dot ; Nanomaterials ; Optoelectronics ; Composite material Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications ; Carbon and Quantum Dots Applications
Authors: Muhammad Faesal Febriandyono | Sulistyo Sulistyo | Mohammad Tauviqirrahman | Rayhan Calista | Tatagraha Rahmanda | Fachrizal Radya Mahendra
Source: International Research Journal of Innovations in Engineering and Technology (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Preparation of Electrolyte Based on YSZ Material at the Green Boundary of NiO-YSZ The development of alternative energy technologies, particularly based on fuel cells, has become a primary focus in material research for energy applications. Solid Oxide Fuel Cells (SOFCs) are promising due to their high efficiency, fuel flexibility, and relatively low environmental impact. In SOFC systems, the electrolyte plays a key role in the oxygen ion conduction from the cathode to the anode. Yttria-Stabilized Zirconia (YSZ) is a widely researched electrolyte material due to its superior ionic conductivity at high temperatures, chemical stability, and thermal compatibility with other materials in SOFCs. However, optimizing the performance of YSZbased electrolytes at intermediate-to-low operating temperatures remains a challenge. This research explores a new approach for fabricating YSZ electrolytes with an emphasis on optimizing the green boundary between NiOYSZ composites, which significantly affects ionic conductivity and electrochemical performance. A spin coating method was employed to create YSZ layers with controlled thickness and homogeneity. The addition of polyethylene glycol (PEG) as a binder enhanced slurry viscosity and layer uniformity. Scanning Electron Microscopy (SEM) analysis revealed dense, crack-free, and uniform YSZ layers with submicron crystalline grains, contributing to improved ionic conductivity and mechanical stability. The findings suggest that optimizing green boundary structures can enhance the overall performance of SOFCs, particularly in mediumtemperature applications, making significant contributions to more efficient fuel cell technology development. Yttria-stabilized zirconia ; Non-blocking I/O ; Electrolyte ; Materials science ; Chemical engineering ; Composite material ; Chemistry ; Engineering ; Cubic zirconia ; Ceramic ; Electrode ; Physical chemistry ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Metal Extraction and Bioleaching ; Gas Sensing Nanomaterials and Sensors
Authors: Lucía Vizcaíno‐Anaya | Óscar Giner‐Rajala | Carlos Herreros‐Lucas | Héctor Rodríguez | M.C. Gimenez-Lopez
Source: Chemistry - Methods (article, 2025-08-01)
Field: Materials Science — Materials Chemistry

Optimizing Polyoxometalate Electrodes for Energy Storage via Cation Design and Thermal Activation Polyoxometalates (POM) are promising materials for electrochemical applications, such as supercapacitors. However, their stability in aqueous electrolytes is compromised due to POM cluster leaching. To mitigate this issue, POM can be combined with organic counter cations, which reduce their solubility in water and influence interactions with carbon support materials. Nevertheless, further research is needed to determine the optimal characteristics and electrode design for maximizing performance. In this work, a synergistic methodology to investigate POM compounds bearing cations with three core functionalities (ammonium, imidazolium, and pyridinium) and varying alkyl side chain lengths, is developed in order to elucidate and optimize the effects of hydrophobicity on the structure of organic–inorganic hybrid materials, electrode films, and their electrochemical performance. The results show that, although cations with long alkyl chains exhibit lower capacitance, they can be activated through molecular rearrangement in the solid state, facilitated by the flexibility of these chains within the structure. By combining thermal and electrochemical techniques, the electrode materials are optimized. These findings demonstrate that the careful selection of counter‐cations with the appropriate molecular structures, followed by a thermal activation protocol, is key to developing more efficient and durable energy storage systems. Polyoxometalate ; Energy storage ; Electrode ; Materials science ; Thermal ; Chemical engineering ; Nanotechnology ; Chemistry ; Organic chemistry ; Engineering ; Catalysis ; Physical chemistry Polyoxometalates: Synthesis and Applications ; Supercapacitor Materials and Fabrication ; Metal-Organic Frameworks: Synthesis and Applications
Authors: م.م. إسراء عبد المنعم شهاب احمد التكريتي
Source: مجلة الشرق الأوسط للعلوم التربوية والنفسية (article, 2025-09-16)
Field: Materials Science — Polymers and Plastics

دراسة التفكك الضوئي لـ PVC المضافة لها بعض الليكندات باستخدام طريقة خسارة الوزن للأفلام البوليمرية في بحثنا هذا استخدمنا مركبين تم تحضيرهما مسبقاً وتشخيصها. في هذا العمل تم استخدام المركبات المحضرة لتثبيت ضوءي لبولي فينيل كلوريد، لحل هذه المشكلة، تم بنجاح استخدام عدد من المثبتات المختلفة. تم خلط البولي فينيل كلوريد (PVC) مع هذه المركبات في مذيب الـ THF لتكوين PVC مطور بسماك %5 وزن/ حجم، والذي يحتوي على تركيز مركب 0.05%. بالوزن تم إنتاجه بطريقة الصب من مذيب الـ THF. تمت الدراسة للتثبيت الضوئي لأفلام PVC. حيث استخدم ضوء الطول الموجي 313 نانومتر بكثافة (6.02 * 10-9 S-1 Dm-3 Ein) لتشعيع أفلام PVC في درجة حرارة الغرفة. تم تحديد نشاط التثبيت الضوئي لهذه المركبات من خلال مراقبة فقدان الوزن مع وقت التشعيع. Polyvinyl chloride ; Compounding ; Yield (engineering) Polymer Science and PVC ; Dielectric materials and actuators ; Environmental and Industrial Safety
Authors: Joschua Lüke | Iván Maisuls | Alexander Hepp | Cristian A. Strassert
Source: International Journal of Molecular Sciences (article, 2025-10-24)
Field: Chemistry — Organic Chemistry

Rhenium(I) Complexes with 2-(1,2,4-Triazol-5-yl)-β-Carboline-Based Bidentate Luminophores and Neutral Co-Ligands: Towards Tunable Phosphorescence and Efficient Singlet Dioxygen Photoproduction A bidentate ligand concept based on <i>β</i>-carbolines functionalized with a 1,2,4-triazolyl-moiety was designed and realized, enabling the development of a series of neutral rhenium(I) complexes. This new class of anionic ligands, incorporating either an unsubstituted 9<i>H</i>-pyrido[3,4-<i>b</i>]indole core (<b>L<sub>nHo</sub></b>) or a 9-methyl-substitued variant (<b>L<sub>Me-nHo</sub></b>), was developed towards tailored photofunctionality. Structural modification via methyl substitution at the indole moiety was found to enhance overall phosphorescence efficiency. Comparative studies of two monodentate auxiliary units revealed that 1,3,5-triaza-7-phosphaadamantane (<b>PTA</b>) significantly reduces the photoluminescence efficiency compared to pyridine (<b>Py</b>). Solvent-dependent photoluminescence studies indicated that a lowered polarity leads to an increase in photoluminescence quantum yields (<i>Φ</i><sub>L</sub>). The complex <b>Re(L<sub>Me</sub><sub>-nHo</sub>)Py</b> emerged as the most efficient emitter, displaying a <i>Φ</i><sub>L</sub> of 44% in dichloromethane (DCM). Notably, all complexes exhibited efficient quenching of excited triplet states by diffusional collision with triplet dioxygen (<sup>3</sup>O<sub>2</sub>), yielding good singlet dioxygen (<sup>1</sup>O<sub>2</sub>) photoproduction efficiencies (<i>Φ<sub>Δ</sub></i>) with a maximum of 45% observed for <b>Re(L<sub>nHo</sub>)Py</b>. These results highlight the suitability of these complexes for applications requiring efficient phosphorescence and oxygen photosensitization, such as bioimaging, and photodynamic therapy or photooxidation catalysis, while underscoring the central role of the tailored <i>β</i>-carboline-based chromoluminophores in enabling precise tuneability of photophysical properties. Phosphorescence ; Photoluminescence ; Denticity ; Quenching (fluorescence) ; Moiety ; Singlet oxygen ; Pyridine ; Excited state ; Singlet state Catalytic Cross-Coupling Reactions ; Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research
Authors: Marouen Zammali | Mathieu Etienne | Liang Liu
Source: Advanced Materials Technologies (article, 2025-05-19)
Field: Materials Science — Polymers and Plastics

Comprehensive Engineering of PVA‐Based Gel Probes for Scanning Gel Electrochemical Microscopy Abstract Scanning Gel Electrochemical Microscopy (SGECM) is a novel tool for microscale electrochemical imaging and patterning. In this study, poly(vinyl alcohol)‐borate (PVA‐borate) gel probes, the core component of SGECM, are developed through an integrated approach combining electrochemistry, polymer science, and fluid mechanics. Two types of gel probes are engineered with distinct fabrication strategies. Type I gel probes are formed by electrodeposition of PVA‐borate on platinum micro‐disk electrodes. The deposition potential controls the gel's shape, while co‐deposition with poly(ethylene oxide) enhances its stiffness and toughness via the Double Network strategy. These probes enable precise topography and current mapping, with reusability ensured by re‐soaking in electrolyte. Type II gel probes are fabricated on etched tungsten wires using a “deposition + pulling” technique. By exploiting the viscous‐to‐viscoelastic transition of the precursor solution at high pulling velocities, precise shape control is achieved despite the slow electrodeposition kinetics of PVA‐borate. The optimized Type II probes achieve a spatial resolution of 2.1 µm, demonstrated through SGECM patterning of silver. This work underscores the powerful synergy between electrochemistry, polymer science, and fluid mechanics in advancing electrodeposition processes engineering, ultimately leading to the creation of novel gel probes for spatially localized electrochemical analysis. Scanning electrochemical microscopy ; Materials science ; Electrochemistry ; Microscopy ; Chemical engineering ; Nanotechnology ; Chemistry ; Engineering ; Optics ; Electrode ; Physics Conducting polymers and applications ; Analytical Chemistry and Sensors ; Electrochemical Analysis and Applications
Authors: Susana Ibáñez | Mercè Alemany‐Chavarria | Louise N. Dawe | Gregori Ujaque | Eduardo Peris
Source: Angewandte Chemie International Edition (article, 2025-09-01)
Field: Chemistry — Organic Chemistry

Rocking (and Shuttling) in a Nanosized Metallobox Gaining insight into the dynamic behavior of supramolecular systems is essential for understanding selective guest encapsulation and for the rational design of nanodevices capable of precise, controllable motion at the molecular scale. In this work, we report the construction of a pseudo-rotaxane system through the encapsulation of a naphthalenediimide (NDI) derivative bearing long aliphatic chains within the cavity of a nanosized metallorectangle. Electrochemical studies reveal that encapsulation significantly alters the redox properties of the guest. In addition, upon reduction, the NDI-based radical is stably confined within the host cavity, forming a persistent host-guest complex. This encapsulated radical species can be released upon the addition of chloride ions, demonstrating a clear example of reversible, stimuli-responsive guest uptake and release. To elucidate the internal dynamics of the system, we employed variable-temperature <sup>1</sup>H NMR spectroscopy in conjunction with computational modeling. These studies revealed two distinct modes of motion: a) a shuttling motion, in which the guest slides along the axis of the host cavity between central and peripheral positions; and b) a rocking motion, involving partial rotation of the guest enabled by the flexible movement of its aliphatic chains within the host interior. Supramolecular chemistry ; Encapsulation (networking) ; Rotaxane ; Molecular machine ; Chemistry ; Rational design ; Molecular dynamics ; Rotation around a fixed axis ; Nanotechnology ; Materials science ; Molecule ; Computational chemistry ; Organic chemistry ; Computer science Supramolecular Chemistry and Complexes ; Porphyrin and Phthalocyanine Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Sara Tortorella | Sebastian Bessler | Giuseppe Arturi | Giulia Sorbi | Jens Soltwisch | Gabriele Cruciani
Source: Analytical and Bioanalytical Chemistry (article, 2025-12-20)
Field: Chemistry — Spectroscopy

Advancing spatial-omics through Pyxis, vendor-neutral software for ion mobility mass spectrometry imaging data analysis Mass spectrometry imaging (MSI) is a powerful analytical technique suited for simultaneously measuring and assigning functional roles of multiple analytes directly from intact tissue sections. MSI acquisitions often lead to highly complex datasets with numerous isobaric species. Ion mobility (IM) spectrometry crucially helps to unravel these datasets by providing an orthogonal separation thus supplementing the lack of chromatographic separation in MSI. However, the rich, multidimensional data produced by IM-MSI investigations, combined with the lack of comprehensive software solutions that support the entire data analysis workflow, poses a major challenge preventing IM-MSI full exploitation. Here, we discuss the benefits and challenges of IM-MSI data analysis in metabolomic applications. Finally, Pyxis, a novel, vendor-neutral IT solution for IM-MSI data analysis, is introduced and its capabilities demonstrated on mouse kidney tissue and THP-1 monocytes data. Ion-mobility spectrometry ; Analyte ; Mass spectrometry ; Software ; Metabolomics ; Isobaric process ; Data analysis Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: Lizandro Ramírez-Trejo | Jorge David Cadena-Zamudio | Marco A. Ramírez-Mosqueda | Raúl Colorado‐Peralta | Rodolfo Peña-Rodríguez | Daniel Padilla‐Chacón | Carlos A. Cruz‐Cruz
Source: Agro Productividad (article, 2025-11-18)
Field: Materials Science — Materials Chemistry

Preliminary study of the hormetic effect of nitrate and chloride of cerium on the micropropagation of Stevia rebaudiana Bertoni Objective: This study aimed to evaluate the effect of cerium nitrate and cerium chloride on morphophysiological and biochemical variables in S. rebaudiana In vitro. Design/methodology/approach: S. rebaudiana explants were grown for 30 days on MS medium supplemented with cerium nitrate or chloride at 0, 10, 20, 30, 40 and 50 µM concentrations, respectively. Results: It was observed that cerium nitrate at a concentration of 10 μM stimulated shoot proliferation (10.55 ± 1.11) and plant growth (12.12 ± 0.51 cm), whereas cerium chloride at the same concentration favoured plant height (13.25 ± 0.53 cm). Cerium nitrate at a concentration of 30 μM significantly increased chlorophyll content (0.957 ± 0.005 mg g-1 FW). In addition, a hormetic effect was observed with both cerium salts, i.e., biostimulation at low concentrations and lethal toxicity at the maximum concentration evaluated (50 μM), showing a greater toxic effect with the chloride counterion. Limitations on study/implications: This study constitutes a preliminary in vitr research; although cerium has a beneficial effect during the micropropagation of S. rebaudiana, its effectiveness must be evaluated through additional ex vitro studies. Findings/conclusions: Controlled and adequate doses can be used to obtain the highest biostimulant effect on S. rebaudiana shoot proliferation In vitro. Cerium ; Stevia rebaudiana ; Nitrate ; Cerium nitrate ; Shoot ; Chloride Nanoparticles: synthesis and applications ; Plant Growth Enhancement Techniques ; Cassava research and cyanide
Authors: Abdalla Obeidat | Haneen Al-Shohah | Abeer Alrousan | Khaled Aledealat
Source: Research Square (preprint, 2025-12-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Comprehensive Computational Study: Exploring structural, mechanical, electronic, magnetic, and thermomagnetic properties of Co2 VA 1-x B x (where A= As, Ge, and B= Al) Heusler alloys Pseudopotential ; Thermomagnetic convection ; Curie temperature ; Ferromagnetism ; Plane wave ; Band gap ; Electronic band structure ; Lattice constant ; Electronic structure Heusler alloys: electronic and magnetic properties ; Boron and Carbon Nanomaterials Research ; 2D Materials and Applications
Authors: A. Sathiya Priya | Mahesh Kumar N | Shachindra L. Nargund | V Murugan | Bharath Kumar Chagaleti
Source: International Journal of Pharmaceutical Research and Development (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Modern perspectives on covalent and reversible covalent inhibitors: From selectivity to clinical translation Covalent inhibitors have re-emerged as powerful agents in drug discovery, offering the advantages of high potency, sustained target engagement, and the potential to overcome resistance mechanisms. Traditionally viewed with caution due to concerns over off-target reactivity and toxicity, covalent drugs are now recognized as transformative therapeutic options, particularly in oncology, virology, and immunology. The discovery of selective electrophilic warheads and advances in computational chemistry have enabled precise targeting of nucleophilic amino acid residues such as cysteine, lysine, and serine. In parallel, the development of reversible covalent inhibitors has introduced a new dimension to drug design by combining durable binding with controllable pharmacodynamics, exemplified by recent breakthroughs in KRAS G12C inhibitors. This review summarizes the mechanistic principles, chemical strategies, and clinical progress of both irreversible and reversible covalent inhibitors. Special emphasis is placed on warhead innovations, resistance management, and the integration of structural and chemo proteomic tools in guiding selectivity. With several FDA-approved covalent drugs and an expanding pipeline of clinical candidates, covalent and reversible covalent inhibitors are poised to redefine the landscape of targeted therapeutics. Covalent bond ; Selectivity ; Chemistry ; Translation (biology) ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Gene ; Catalysis Click Chemistry and Applications ; Synthesis and Characterization of Pyrroles ; Chemistry and Chemical Engineering