jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kelly Lana Araújo | Natanael Teles Ramos de Lima | Pedro Artur Ferreira Marinho | Deborah Carbonera Guedes | Marcelo Sobral da Silva | Yuri Mangueira do Nascimento | Josean Fechine Tavares | José Maria Barbosa‐Filho | Cinthya Maria Pereira de Souza | Vanda Lúcia dos Santos | Harley da Silva Alves | Yvana Fechine | Alisson Macário de Oliveira
Source: Plants (article, 2025-11-27)
Field: Materials Science — Biomaterials

Phytochemical Profile, Toxicity Evaluation and Antinociceptive Effect of the n-Butanolic Fraction from the Leaves of Calotropis procera (Aiton) W.T Aiton (Apocynaceae) <i>Calotropis procera</i>, known as "Silk cotton", stands out for the presence of various classes of bioactive compounds responsible for its ethnopharmacological properties. The study aimed to conduct a phytochemical investigation, evaluating the in vitro and in vivo toxicity together with the antinociceptive potential of an n-butanolic fraction (FB) from the leaves. The crude ethanolic extract (CEE) was obtained by maceration in ethanol for 72 h. It was then partitioned using a gradual solvent sequence. The FB was analyzed by HPLC-ESI-MS/MS in negative mode and <sup>1</sup>H and <sup>13</sup>C NMR. Toxicity was assessed by the erythrocyte hemolytic assay and acute oral toxicity test at a single dose of 300 mg·kg<sup>-1</sup>. The antinociceptive effect was assessed by the acetic acid-induced abdominal writhing test and the formalin test in mice at doses of 3.75, 7.5 and 15 mg·kg<sup>-1</sup><i>per os</i>. HPLC-ESI-MS/MS analysis identified flavonoids, phenolic acids, and the megastigmane roseoside, isolated for the first time in <i>C. procera</i>. The FB did not cause hemolytic effects or behavioral or physiological changes in mice. It showed an antinociceptive effect at all doses, reducing abdominal writhing by up to 91.46% and the licking time in phases 1 and 2 of the formalin test by up to 63.83% and 91.73%, respectively. In this study, it was possible to determine that an FB of a crude extract of <i>C. procera</i> leaves has antinociceptive activity, possibly associated with the phenolic compounds and roseoside found, with a lack of toxicity <i>in vitro</i> and <i>in vivo</i>, validating its ethnopharmacological use. Phytochemical ; Licking ; Toxicity ; Acute toxicity ; Nociception ; Maceration (sewage) ; Ethanol ; In vivo Phytochemistry and Bioactive Compounds ; Ethnobotanical and Medicinal Plants Studies ; Phytochemistry and Biological Activities
Authors: Nihed Becharguia | Iwona Nierengarten | Alix Sournia‐Saquet | Emeric Wasielewski | Rym Abidi | Béatrice Delavaux‐Nicot | Jean‐François Nierengarten
Source: ChemistryEurope (article, 2025-04-02)
Field: Chemistry — Organic Chemistry

pH‐Controlled Gliding Motions in Pillar[5]arene‐Containing Molecular Shuttles New pillar[5]arene‐based molecular shuttles incorporating an axle component with two stations, namely a –(CH 2 ) 10 – chain and a protonable triazole subunit, have been prepared. Detailed spectroscopic investigations supported by density functional theory calculations revealed that gliding motions of the pillar[5]arene occur over the full length of the molecular axle in the protonated state, while such molecular motions are limited over the decyl station in the neutral state. Finally, electrochemical investigations further revealed that the oxidation of the pillar[5]arene moiety of the protonated rotaxane also triggers conformational changes and the oxidized macrocycle is only located over the decyl station. Pillar ; Chemistry ; Nanotechnology ; Materials science ; Engineering ; Mechanical engineering Supramolecular Chemistry and Complexes ; Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials
Authors: Augustine Innalegwu Daniel | Sarah Udenyi Onogwu | Theresa Yebo Gara | Amuda Oladunni | Jimoh Oladejo Tijani | Samson O. Oselusi | Samad Hussein | Hazeezah Mustapha Garba | A.G. Salaudeen | Alechine E. Ameh | Marshall Keyster | Ashwil Klein
Source: Discover Applied Sciences (article, 2025-04-23)
Field: Materials Science — Materials Chemistry

Green-synthesis of MgO and ZrO2 nanocomposites: physicochemical properties and antiplasmodial activity in a mouse model Malaria remains a significant global health burden, particularly in Sub-Saharan Africa, where drug resistance necessitates novel therapeutic strategies. This study evaluates the antiplasmodial potential of green-synthesized magnesium oxide (MgO) and zirconium oxide (ZrO2) nanoparticles and their composite (Mg/ZrO2) using Eucalyptus camaldulensis leaf extract. MgO, ZrO2, and MgO/ZrO2 nanoparticles were synthesized and characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD), revealing crystalline structures with particle sizes ranging from 39 to 60 nm. Acute toxicity assessment in mice indicated an LD50 > 2000 mg/kg bodyweight, confirming their safety. In vivo antiplasmodial activity was assessed using Plasmodium berghei-infected mice, with treatment groups receiving 50, 100, and 200 mg/kg bodyweight each of the nanoparticles. In the suppressive test, MgO-NPs, ZrO2-NPs, and MgO/ZrO2-NPs exhibited dose-dependent parasite inhibition of 66.79%, 34.72%, and 41.02% respectively at 200 mg/kg bodyweight. The curative test further confirmed parasite clearance, with MgO-NPs demonstrating the highest efficacy. Nanoparticle treatment also improved survival time and maintained body weight compared to untreated controls. The observed antiplasmodial effects is attributed to enhanced cellular uptake, reactive oxygen species (ROS) generation, and disruption of parasite metabolic pathways. These findings highlight the potential of MgO, ZrO₂ and MgO/ZrO2 nanocomposites as promising candidates for antimalarial drug development, warranting further mechanistic studies and preclinical validation. Nanocomposite ; Materials science ; Chemical engineering ; Chemistry ; Nanotechnology ; Engineering Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Magnesium Oxide Properties and Applications
Authors: Mehmet Enes Sözen
Source: TURKISH JOURNAL OF HEALTH AND SPORT (TJHS) (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Gümüş Nanopartikülünün Wistar Sıçanlarda Karaciğer Üzerindeki Boyut ve Doza Bağlı Etkileri Data collection ; Government (linguistics) ; Public health ; Population Nanoporous metals and alloys ; Gold and Silver Nanoparticles Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Hui‐Yao Lin | Le Li | Jun Hou | Fei Tong | Da‐Hui Qu
Source: ChemRxiv (preprint, 2025-01-27)
Field: Materials Science — Materials Chemistry

Fabricating Elastic Molecular Crystals with Enhanced Mechanical Durability through Molecular Engineering The exploration of elastic organic molecular crystals has significant implications for modulating the mechanical properties of crystalline materials and their practical applications. However, existing research has largely concentrated on the packing regulation of planar molecules, imposing inherent constraints on achievable mechanical properties. Herein, one flexible molecular crystal constructed by purely covalent non-planar twisted conformation with enhanced elastic properties demonstrates unprecedented mechanical capabilities including extensive bending, weight-lifting capacity of 4500 times its mass, and so on. Notably, slender and anisotropic crystals show considerable promise for waveguides and birefringence optical components including sufficiently low optical loss coefficients in the near-infrared region and birefringence coefficient (Δn) comparable to commercial ionic crystals. This work provides innovative strategies for designing flexible crystals and advances the practical frontiers of functionalized crystalline materials. Durability ; Materials science ; Composite material ; Nanotechnology Boron and Carbon Nanomaterials Research
Authors: Bharath Manoharan | Chitra Vadivu Chinnasamy | Balakrishnan veluchamy | Raja Kannan
Source: Pharmacognosy Research (article, 2025-09-29)
Field: Chemistry — Analytical Chemistry

Histochemistry and Powder Microscopy of Ceropegia juncea Roxb. - A Potent Medicinal Plant Background:The Ceropegia juncea Roxb.Belongs to the subfamily Asclepiadoideae and the family Apocynaceae.The histochemistry is used to localize primary and secondary metabolites within the cells, which can be determined by using specific chemicals and colours in the twinning herbaceous plant C. juncea.Materials and Methods: Histochemical analysis is to identify the absorption of colour in the specific location of the cells or tissues selected for phytochemicals and the powder microscopy analyzed by standard protocols.Results: The alkaloid, protein, tannin, lipid, crystal, starch, steroid, phenol and flavonoid in different cells and the powder microscopy exhibits parenchyma, fragments of vascular bundles, bordered pitted vessels, spiral vessels, fibre bundles, sclereids, prismatic calcium oxalate crystals and lipid.Conclusion: Alkaloids can cure cancer, inflammation and protein used for weight loss, rich in antioxidants, anti-diabetic, improve immune system followed by lipids used to regulate hormone, transmit nerve impulses and store energy.Tannin has the ability of antioxidants, to maintain skin and anti-inflammatory.Natural chemicals are localized in the Ceropegia juncea Roxb.Stem different cells to isolate phytoconstituents for further in vitro and in vivo studies to produce novel drug. Medicinal plants ; Pharmacognosy ; Immunohistochemistry ; Microscopy ; Atomic force microscopy Heavy Metals in Plants ; Moringa oleifera research and applications ; Morinda citrifolia extract uses
Authors: AmirHossein Fallah | Constantine Sideris
Source: arXiv (Cornell University) (preprint, 2025-09-25)
Field: Materials Science — Surfaces, Coatings and Films

Fast 3D Nanophotonic Inverse Design using Volume Integral Equations Designing nanophotonic devices with minimal human intervention has gained substantial attention due to the complexity and precision required in modern optical technologies. While inverse design techniques typically rely on conventional electromagnetic solvers as forward models within optimization routines, the substantial electrical size and subwavelength characteristics of nanophotonic structures necessitate significantly accelerated simulation methods. In this work, we introduce a forward modeling approach based on the volume integral equation (VIE) formulation as an efficient alternative to traditional finite-difference (FD)-based methods. We derive the adjoint method tailored specifically for the VIE framework to efficiently compute optimization gradients and present a novel unidirectional mode excitation strategy compatible with VIE solvers. Comparative benchmarks demonstrate that our VIE-based approach provides multiple orders of magnitude improvement in computational efficiency over conventional FD methods in both time and frequency domains. To validate the practical utility of our approach, we successfully designed three representative nanophotonic components: a 3 dB power splitter, a dual-wavelength Bragg grating, and a selective mode reflector. Our results underscore the significant runtime advantages offered by the VIE-based framework, highlighting its promising role in accelerating inverse design workflows for next-generation nanophotonic devices. Nanophotonics ; Inverse ; Power (physics) ; Inverse problem ; Computational electromagnetics ; Integral equation ; Workflow Optical Coatings and Gratings ; Nanofabrication and Lithography Techniques ; Near-Field Optical Microscopy
Authors: Kirsteen H. Maclean | Sergio Hernández | Brigitte Lovell | Lisa Duncan | Lakshmi Chandramohan | Christina E. Bailey | Wei Yang | Shanshan He | Joe Beechem
Source: Regular and Young Investigator Award Abstracts (article, 2025-11-01)
Field: Chemistry — Spectroscopy

115 Validation of a simplified mRNA+protein multiomics workflow on the nCounter® Platform using FFPE tissue: results from a comprehensive analytical validation across multiple tumor types Workflow ; Data type ; Model validation ; Type (biology) Advanced Proteomics Techniques and Applications ; Advanced Biosensing Techniques and Applications ; Single-cell and spatial transcriptomics
Authors: Xiaoran Yang | Jiahao Du | Q. Zhang | Liyan Zhang | Chun Liu
Source: Chemosensors (article, 2025-11-01)
Field: Materials Science — Materials Chemistry

The Effect of ortho/meta/para-Substitution of a Phenyl Group on the AIPE and TNP-Sensing Properties of Ir(III) Complexes Three Ir(III) complexes 1–3 were synthesized using phenyl-modified 2-phenylpyridine derivatives as the cyclometalating ligands. All complexes exhibited aggregation-induced phosphorescence emission (AIPE) in CH3CN/H2O, which facilitated highly sensitive detection of 2,4,6-trinitrophenol (TNP). Among them, complex 3 containing a phenyl group at the para-position of the phenyl moiety in 2-phenylpyridine showed superior detection performance with the limit of detection (LOD) of 74 nM. 1–3 demonstrated excellent anti-interference and selectivity performances for the detection of TNP in different common water samples. In addition, 1H NMR spectra, density functional theory calculations, and spectroscopic results indicate that the detection mechanism for TNP is attributed to the combined effects of photo-induced electron transfer and the inner-filter effect. Moiety ; Selectivity ; Density functional theory ; Phosphorescence ; Proton NMR ; Phenyl group ; Group (periodic table) Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Analytical Chemistry and Sensors
Authors: Kinga Nyíri | Gergely Nándor Nagy | Ibolya Leveles | Bianka Kőhegyi | Zoé S. Tóth | Viktória Perey-Simon | Dániel János Incze | Zsófia Molnár | Zsófia Bata | László Poppe | Beáta G. Vértessy
Source: Magyar kémiai folyóirat, Kémiai közlemények (article, 2025-12-19)
Field: Materials Science — Biomaterials

Szerkezeti biológiai kutatások az ABÉT Biostruct laboratóriumban Identification (biology) ; Work (physics) ; Product (mathematics) ; Set (abstract data type) Magnesium Alloys: Properties and Applications ; Metallurgy and Material Science ; Titanium Alloys Microstructure and Properties
Authors: K. F. Boriak | Nataliia Peretiaka | Serhii Bazyka | Hennadii Banzak | Maksym Boriak
Source: Advances in Military Technology (article, 2025-05-07)
Field: Materials Science — Polymers and Plastics

Camouflage Woven Fabric Hooded Cloak for Protection against Thermal Surveillance Imagers This article enumerates a number of up-to-date achievements in the field of creating metamaterials that can theoretically be used when manufacturing the means of camouflage for armed forces personnel. A high-performance version of the design of camouflage hooded cloak for protecting servicemen is presented. The presence of slot air flaps for the air exchange via thermal convection between the external environment and the internal cavity of the cloak will prevent the formation of unwanted zones of localized heat concentration with the presence of an elevated temperature on the surface of the cloak fabric in the course of a long period of use. Prototypes of such a design of an invisibility cloak have successfully passed tests during combat operations in Ukraine. Camouflage ; Cloak ; Computer science ; Materials science ; Artificial intelligence ; Optoelectronics ; Metamaterial Textile materials and evaluations ; Infrared Target Detection Methodologies ; Digital Media and Visual Art
Authors: Wei‐Jian Xu | Denis Alikin | Zijun Fang | Konstantin Romanyuk | Luís M.P. Veríssimo | Pavel Zelenovskii | Wei‐Xiong Zhang | Andréi L. Kholkin | João Rocha
Source: Chemical Communications (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Unlocking ferroelectricity in a metal-free adamantane derivative <i>via</i> targeted symmetry reduction By introducing a symmetry-reduction design strategy in adamantane derivatives, overcoming the inherent high symmetry of globular molecules that typically hinders long-range electrical ordering, we report a metal-free ferroelectric 2-adamantylammonium bromide (2-ADAB) with a high Curie temperature of 383 K and robust polarization switching. Adamantane ; Ferroelectricity ; Curie temperature ; Symmetry (geometry) ; Materials science ; Derivative (finance) ; Metal ; Reduction (mathematics) ; Globular cluster ; Condensed matter physics ; Crystallography ; Physics ; Chemistry ; Optoelectronics ; Quantum mechanics ; Ferromagnetism ; Dielectric ; Mathematics ; Organic chemistry Ferroelectric and Piezoelectric Materials ; Perovskite Materials and Applications ; Multiferroics and related materials
Authors: A. Boretti | Stefania Castelletto
Source: Applied Research (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Advancements and Challenges in Color Center‐Based Quantum Computing Architectures ABSTRACT Quantum computing leverages the principles of quantum mechanics to perform computations that are infeasible for classical computers. Color centers, which are point defects in a crystal lattice where vacancies in the lattice and/or an impurity atom replace a host atom, exhibit unique optical, electronic, and nuclear spin properties that make them suitable for quantum information and communication processing as well as for quantum computations with quantum memory. Among the color centers, nitrogen‐vacancy centers in diamond, the most developed, silicon vacancy (V Si ) centers in silicon carbide (SiC), and boron vacancy (V B ) centers in hexagonal boron nitride (hBN) have emerged as leading candidates. Diamond and SiC material hosts are particularly promising due to the long spin and photon coherence times, optical addressability, compatibility with various quantum operations, while SiC promises higher compatibility with scalable industrial fabrication processing, and 2D materials are better suited for hybrid photonics and electronics integration. This paper provides a detailed overview of the advantages, challenges, and recent advancements in using these color centers for quantum computing. In addition, it discusses other potential color centers of interest, such as silicon (SiV) and germanium (GeV) vacancies in diamond, tin vacancies (SnV) in diamond, chromium and nickel centers in diamond, and rare‐earth ions in host materials like yttrium orthosilicate and calcium fluoride. By understanding and utilizing the properties of these diverse color centers, researchers aim to develop more efficient, scalable, and versatile quantum computers, which could lead to hybrid quantum‐classical systems that combine the strengths of different platforms and potentially transform fields like cryptography, material science, drug discovery, and complex system simulations (climate modeling, fusion energy). Quantum computer ; Quantum technology ; Vacancy defect ; Quantum network ; Quantum information ; Qubit ; Quantum information science ; Quantum dot ; Quantum sensor Diamond and Carbon-based Materials Research ; Boron and Carbon Nanomaterials Research ; Graphene research and applications
Authors: Ashley N. Ives | Kevin Jooß | Rafael D. Melani | Ryan T. Fellers | John Janetzko | Neil L. Kelleher
Source: ChemRxiv (preprint, 2025-02-18)
Field: Chemistry — Spectroscopy

Capillary Zone Electrophoresis-Mass Spectrometry of Intact G Protein-Coupled Receptors Enables Proteoform Profiling G protein-coupled receptors (GPCRs) are the largest class of integral membrane receptors and responsible for transmitting diverse signals in response to extracellular stimuli. Post-translational modifications serve to dictate the subcellular trafficking and function of a GPCR across space and time. Despite significant interest in mapping the diversity of GPCR modification states (proteoforms), technical challenges have hindered this characterization. While advancements in membrane mimetics and mass spectrometry instrumentation have improved analysis, current workflows require large amounts of homogenous protein, limiting the study of many GPCRs from mammalian sources. Here, we present capillary zone electrophoresis (CZE) as an inline separatory tool for characterizing proteoforms of both intact and partially digested GPCRs. This method allowed for the characterization of multiple proteoforms of both the beta-2-adrenergic receptor and metabotropic glutamate receptor 2 using low sample volumes and without buffer optimization. Notably, in the case of smaller phosphorylated analytes, CZE was able to readily separate positional phosphorylation isomers, and provide superior fragmentation coverage to conventional reverse phase-liquid chromatography (RP-LC). Capillary electrophoresis ; Mass spectrometry ; Profiling (computer programming) ; Proteomics ; Chemistry ; Computational biology ; Chromatography ; Biology ; Computer science ; Biochemistry ; Gene Mass Spectrometry Techniques and Applications
Authors: Nobuhiro Mizuno | Kazuya Hasegawa | Takuya Masunaga | Go Ueno | Masaki Yamamoto | Takashi Kumasaka
Source: Journal of Physics Conference Series (article, 2025-05-01)
Field: Materials Science — Materials Chemistry

Beamline Alignment Software BOSS (Beamline Operation Scheduling Software) for structural biology beamlines at SPring-8 Abstract In synchrotron radiation experiments, precise beamline alignment is essential for optimal conditions and high-quality data. However, this process can be complex and time-consuming. To address this, we developed the Beamline Operation Scheduling Software (BOSS), specifically designed for synchrotron radiation facilities. BOSS schedules and executes processes such as beam alignment, axis scanning based on beam intensity, and instrument positioning. It communicates with control servers using various protocols, including raw sockets, web sockets, HTTP requests, SSH, and serial connections. Users can flexibly edit the parameters and sequence of each process through a graphical interface without modifying the source code. This flexibility allows for easy customization to suit different beamlines or handle urgent issues, making BOSS an effective tool for software prototyping. BOSS has automated many beam alignment processes, reducing the required time by approximately half. It supports external execution of tuning tasks via RESTful API and is also used for temporary tuning, device control in plate diffraction measurements, and beam tuning during automated measurements with ZOO. Beamline ; Boss ; Software ; Computer science ; SPring-8 ; Operating system ; Software engineering ; Engineering ; Mechanical engineering ; Structural engineering ; Beam (structure) Enzyme Structure and Function ; Protein Structure and Dynamics ; Glycosylation and Glycoproteins Research