jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Geângela de Fátima Sousa Oliveira | Florêncio Sousa Gouveia Júnior | Alexandre Lopes Andrade | Mayron Alves de Vasconcelos | Edson Holanda Teixeira | Marcos V. Palmeira‐Mello | Alzir A. Batista | Luiz Gonzaga de França Lopes | Idalina Maria Moreira de Carvalho | Eduardo Henrique Silva Sousa
Source: Inorganic Chemistry (article, 2024-07-23)
Field: Chemistry — Organic Chemistry

Minimal Functionalization of Ruthenium Compounds with Enhanced Photoreactivity against Hard-to-Treat Cancer Cells and Resistant Bacteria Metallocompounds have emerged as promising new anticancer agents, which can also exhibit properties to be used in photodynamic therapy. Here, we prepared two ruthenium-based compounds with a 2,2'-bipyridine ligand conjugated to an anthracenyl moiety. These compounds coded <b>GRBA</b> and <b>GRPA</b> contain 2,2'-bipyridine or 1,10-phenathroline as auxiliary ligands, respectively, which provide quite a distinct behavior. Notably, compound <b>GRPA</b> exhibited remarkably high photoproduction of singlet oxygen even in water (ϕ<sub>Δ</sub> = 0.96), almost twice that of <b>GRBA</b> (ϕ<sub>Δ</sub> = 0.52). On the other hand, this latter produced twice more superoxide and hydroxyl radical species than <b>GRPA</b>, which may be due to the modulation of their excited state. Interestingly, <b>GRPA</b> exhibited a modest binding to DNA (<i>K</i><sub>b</sub> = 4.51 × 10<sup>4</sup>), while <b>GRBA</b> did not show a measurable interaction only noticed by circular dichroism measurements. Studies with bacteria showed a great antimicrobial effect, including a synergistic effect in combination with commercial antibiotics. Besides that, <b>GRBA</b> showed very low or no cytotoxicity against four mammalian cells, including a hard-to-treat MDA-MB-231, triple-negative human breast cancer. Potent activities were measured for <b>GRBA</b> upon blue light irradiation, where IC<sub>50</sub> of 43 and 13 nmol L<sup>-1</sup> were seen against hard-to-treat triple-negative human breast cancer (MDA-MB-231) and ovarian cancer cells (A2780), respectively. These promising results are an interesting case of a simple modification with expressive enhancement of biological activity that deserves further biological studies. Chemistry ; Surface modification ; Ruthenium ; Bacteria ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Catalysis Click Chemistry and Applications ; Metal complexes synthesis and properties ; Advanced biosensing and bioanalysis techniques
Authors: Aïmane Cheikh | Oualyd El khaloufi | Martando Rath | Ulrike Lüders | Arnaud Fouchet | Julien Cardin | Christophe Labbé | W. Prellier | Adrian David
Source: ACS Applied Materials & Interfaces (article, 2024-09-02)
Field: Materials Science — Materials Chemistry

Tuning the Transparency Window of SrVO<sub>3</sub> Transparent Conducting Oxide Correlated transparent conducting oxides (TCOs) have gained great attention, because of their unique combination of transparency and metallic character. SrVO<sub>3</sub> (SVO) was identified as a high-performance TCO in the visible range. Few studies have investigated band structure engineering through chemical doping to enhance the optical properties of SVO. Here, we use two different strategies by exploiting the band-filling and width of the bands derived from Vanadium to tune the screened plasma frequency ω<sub><i>p</i></sub><sup>*</sup> and the interband transition <i>E</i><sub><i>p</i>-<i>d</i></sub> energy, corresponding to the optical transparency window edges. For control of the band-filling strategy, it is found that Titanium doped SVO has a wide transparency window, but such a composition does not maintain the high electrical conductivity required for TCO applications. Concerning the bandwidth strategy, the doping of SrVO<sub>3</sub> by Calcium shows that ω<sub><i>p</i></sub><sup>*</sup> remains located in the IR range (1.12 eV), while <i>E</i><sub><i>p</i>-<i>d</i></sub> is blue-shifted into the UV region (3.43 eV) due to reinforced electronic correlations. By an appropriate choice of dopant, we successfully increased the size of the transparency window by around 11% from 1.94 eV (SVO) to 2.30 eV (Calcium-doped SVO), while retaining high conductivity of around 2.30 × 10<sup>4</sup> (S·cm<sup>-1</sup>) and high charge carrier density of 2.93 × 10<sup>22</sup> cm<sup>-3</sup>. Materials science ; Dopant ; Doping ; Optoelectronics ; Conductivity ; Transparent conducting film ; Transparency (behavior) ; Oxide ; Transparent ceramics ; Analytical Chemistry (journal) ; Nanotechnology ; Thin film ; Physical chemistry Electronic and Structural Properties of Oxides ; ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors
Authors: Michael Dorogan | Namballa Hari Krishna | Wayne W. Harding
Source: Journal of Medicinal Chemistry (review, 2024-07-22)
Field: Chemistry — Organic Chemistry

Natural Product-Inspired Dopamine Receptor Ligands Due to their evolutionary bias as ligands for biologically relevant drug targets, natural products offer a unique opportunity as lead compounds in drug discovery. Given the involvement of dopamine receptors in various physiological and behavioral functions, they are linked to numerous diseases and disorders such as Parkinson's disease, schizophrenia, and substance use disorders. Consequently, ligands targeting dopamine receptors hold considerable therapeutic and investigative promise. As this perspective will highlight, dopamine receptor targeting natural products play a pivotal role as scaffolds with unique and beneficial pharmacological properties, allowing for natural product-inspired drug design and lead optimization. As such, dopamine receptor targeting natural products still have untapped potential to aid in the treatment of disorders and diseases related to central nervous system (CNS) and peripheral nervous system (PNS) dysfunction. Natural product ; Dopamine ; Dopamine receptor ; Schizophrenia (object-oriented programming) ; Neuroscience ; Dopamine receptor D3 ; Drug discovery ; Receptor ; Chemistry ; Drug ; Dopamine receptor D2 ; Disease ; Dopaminergic ; Pharmacology ; Computational biology ; Biology ; Medicine ; Biochemistry ; Psychiatry ; Internal medicine Chemical synthesis and alkaloids ; Receptor Mechanisms and Signaling ; Cholinesterase and Neurodegenerative Diseases
Authors: David D. Xu | Albert F. Vong | M. Iqbal Bakti Utama | Dmitry Lebedev | Riddhi Ananth | Mark C. Hersam | Emily A. Weiss | Chad A. Mirkin
Source: Advanced Materials (article, 2024-02-12)
Field: Materials Science — Materials Chemistry

Sub‐Diffraction Correlation of Quantum Emitters and Local Strain Fields in Strain‐Engineered WSe<sub>2</sub> Monolayers Strain-engineering in atomically thin metal dichalcogenides is a useful method for realizing single-photon emitters (SPEs) for quantum technologies. Correlating SPE position with local strain topography is challenging due to localization inaccuracies from the diffraction limit. Currently, SPEs are assumed to be positioned at the highest strained location and are typically identified by randomly screening narrow-linewidth emitters, of which only a few are spectrally pure. In this work, hyperspectral quantum emitter localization microscopy is used to locate 33 SPEs in nanoparticle-strained WSe<sub>2</sub> monolayers with sub-diffraction-limit resolution (≈30 nm) and correlate their positions with the underlying strain field via image registration. In this system, spectrally pure emitters are not concentrated at the highest strain location due to spectral contamination; instead, isolable SPEs are distributed away from points of peak strain with an average displacement of 240 nm. These observations point toward a need for a change in the design rules for strain-engineered SPEs and constitute a key step toward realizing next-generation quantum optical architectures. Materials science ; Diffraction ; Monolayer ; Strain (injury) ; Laser linewidth ; Strain engineering ; Quantum dot ; Quantum ; Optoelectronics ; Optics ; Nanotechnology ; Physics ; Laser 2D Materials and Applications ; Nanowire Synthesis and Applications ; Diamond and Carbon-based Materials Research
Authors: Michal Fleischer | Zlata Kelar Tučeková | Oleksandr Galmiz | Eva Baťková | Tomáš Plšek | Tatiana Kolářová | Dušan Kováčik | Jakub Kelar
Source: Nanomaterials (article, 2024-02-26)
Field: Materials Science — Surfaces, Coatings and Films

Plasma Treatment of Large-Area Polymer Substrates for the Enhanced Adhesion of UV–Digital Printing UV-digital printing belongs to the commonly used method for custom large-area substrate decoration. Despite low surface energy and adhesion, transparent polymer materials, such as polymethylmethacrylate (PMMA) and polycarbonate (PC), represent an ideal substrate for such purposes. The diffuse coplanar surface barrier discharge (DCSBD) in a novel compact configuration was used for substrate activation to improve ink adhesion to the polymer surface. This industrially applicable version of DCSBD was prepared, tested, and successfully implemented for the UV-digital printing process. Furthermore, wettability and surface free energy measurement, X-ray photoelectron spectroscopy, atomic force, and scanning electron microscopy evaluated the surface chemistry and morphology changes. The changes in the adhesion of the surface and of ink were analyzed by a peel-force and a crosscut test, respectively. A short plasma treatment (1-5 s) enhanced the substrate's properties of PMMA and PC while providing the pre-treatment suitable for further in-line UV-digital printing. Furthermore, we did not observe damage of or significant change in roughness affecting the substrate's initial transparency. Polycarbonate ; Wetting ; Materials science ; Polymer substrate ; Surface energy ; Substrate (aquarium) ; Adhesion ; Polymer ; X-ray photoelectron spectroscopy ; Surface roughness ; Contact angle ; Surface finish ; Scanning electron microscope ; Chemical engineering ; Composite material ; Nanotechnology Surface Modification and Superhydrophobicity ; Plasma Applications and Diagnostics ; Nanomaterials and Printing Technologies
Authors: Dunzhu Lu | Ying Zeng | Qizhi Yan | Qiyu Chen | Weiliang Ma | Xiao Luo | Ming Xu | Xiaosheng Yang | Peining Li
Source: Nanophotonics (article, 2024-02-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tunable hyperbolic polaritons with plasmonic phase‐change material In <sub>3</sub> SbTe <sub>2</sub> Hyperbolic polaritons that originate from the extreme optical anisotropy in van der Waals (vdW) crystals have gained much attention for their potential in controlling nanolight. For practical use, there has been a strong interest to develop various manipulation strategies to customize the propagation of hyperbolic polaritons on a deeply sub-diffractional scale. In this regard, phase-change materials (PCMs) that possess two phases with different refractive indices offer suitably a tunable dielectric environment. Here, we report on the tuning of hyperbolic phonon polaritons in natural vdW crystals, hexagonal boron nitride (hBN), and alpha-phase molybdenum trioxide (α-MoO<sub>3</sub>), using the plasmonic phase-change material In<sub>3</sub>SbTe<sub>2</sub> (IST). Unlike conventional PCMs whose both phases are dielectric, IST features a metallic crystalline phase that is stable at room temperature. The coupling between polaritons with their mirror charges in the underneath crystalline IST triggers an even stronger field confinement for polaritons. Moreover, benefited from the metallicity of laser-writable crystalline IST, we show an all-optical material platform in which crystalline IST boundaries efficiently excite and focus hyperbolic phonon polaritons in α-MoO<sub>3</sub>. Our experiments highlight the possibility to obtain new degrees of freedom in polariton engineering with plasmonic PCMs, thereby expanding the toolkit of tunable nanophotonics with flexible, on-demand fabrication and reconfiguration capabilities. Polariton ; Plasmon ; Materials science ; Nanomaterials ; Phase (matter) ; Optoelectronics ; Metamaterial ; Nanotechnology ; Physics ; Quantum mechanics Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Plasmonic and Surface Plasmon Research
Authors: Zhongtao Ma | Christodoulos Chatzichristodoulou | Waynah Lou Dacayan | Kristian Mølhave | Francesco Chiabrera | Thomas Erik Lyck Smitshuysen | Christian Danvad Damsgaard | So̷ren Bredmose Simonsen
Source: Small Methods (article, 2024-01-09)
Field: Materials Science — Materials Chemistry

Experimental Requirements for High‐Temperature Solid‐State Electrochemical TEM Experiments The ability to perform both electrochemical and structural/elemental characterization in the same experiment and at the nanoscale allows to directly link electrochemical performance to the material properties and their evolution over time and operating conditions. Such experiments can be important for the further development of solid oxide cells, solid-state batteries, thermal electrical devices, and other solid-state electrochemical devices. The experimental requirements for conducting solid-state electrochemical TEM experiments in general, including sample preparation, electrochemical measurements, failure factors, and possibilities for optimization, are presented and discussed. Particularly, the methodology of performing reliable electrochemical impedance spectroscopy measurements in reactive gases and at elevated temperatures for both single materials and solid oxide cells is described. The presented results include impedance measurements of electronic conductors, an ionic conductor, and a mixed ionic and electronic conductor, all materials typically applied in solid oxide fuel and electrolysis cells. It is shown that how TEM and impedance spectroscopy can be synergically integrated to measure the transport and surface exchange properties of materials with nanoscale dimensions and to visualize their structural and elemental evolution via TEM/STEM imaging and spectroscopy. Dielectric spectroscopy ; Materials science ; Oxide ; Electrochemistry ; Electrolysis ; Characterization (materials science) ; Nanotechnology ; Ionic bonding ; Chemical engineering ; Electrode ; Chemistry ; Ion ; Metallurgy ; Physical chemistry Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials
Authors: Nuria Slijkhuis | Mark Towers | Emmanuelle Claude | Gijs van Soest
Source: Rapid Communications in Mass Spectrometry (article, 2024-10-22)
Field: Chemistry — Spectroscopy

MALDI versus DESI mass spectrometry imaging of lipids in atherosclerotic plaque Mass spectrometry imaging (MSI) is a powerful tool for detecting lipids in tissue sections, with matrix-assisted laser desorption/ionization (MALDI) and desorption electrospray ionization (DESI) as its key ionization techniques. In this study, we examine how MALDI compares with state-of-the-art DESI ionization in identifying lipids in heterogeneous samples, specifically atherosclerotic plaques. Carotid plaques (n = 4) from patients undergoing endarterectomy were snap-frozen, stored at -80°C, and then sectioned for MSI analysis and H&E staining. Measurements were conducted using a SYNAPT XS mass spectrometer in positive ion mode, employing MALDI with a 2,5-dihydroxybenzoic acid (DHB) matrix and DESI with a methanol: water (98:2) (v/v) solvent. Our comparison covered spectral profiles, sensitivity, and image quality generated by these two techniques. We found that both MALDI and DESI are highly suitable techniques for detecting a wide range of lipids in atherosclerotic plaque sections. DESI-MSI exhibited higher ion counts for most lipid classes than MALDI-MSI and provided sharper images. MALDI detected larger amounts of ceramide and hexosylceramide species, possibly due to its efficient generation of dehydrated ions. In contrast, DESI showed greater peak intensities of cholesteryl ester and triacylglyceride species than MALDI, consistent with reduced fragmentation. These findings establish the relative merits of DESI and MALDI and demonstrate their complementarity as techniques for lipid research in MSI. Chemistry ; Mass spectrometry imaging ; Mass spectrometry ; Matrix-assisted laser desorption/ionization ; MALDI imaging ; Fragmentation (computing) ; Desorption ; Desorption electrospray ionization ; Chromatography ; Analytical Chemistry (journal) ; Ionization ; Ion ; Chemical ionization ; Organic chemistry ; Adsorption Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Advanced Proteomics Techniques and Applications
Authors: A. C. McRae | Guoqing Wei | Linxiang Huang | Serap Yiğen | V. Tayari | A. R. Champagne
Source: Advanced Materials (article, 2024-04-01)
Field: Materials Science — Materials Chemistry

Mechanical Control of Quantum Transport in Graphene 2D materials (2DMs) are fundamentally electro-mechanical systems. Their environment unavoidably strains them and modifies their quantum transport properties. For instance, a simple uniaxial strain can completely turn off the conductance of ballistic graphene or switch on/off the superconducting phase of magic-angle bilayer graphene. This article reports measurements of quantum transport in strained graphene transistors which agree quantitatively with models based on mechanically-induced gauge potentials. A scalar potential is mechanically induced in situ to modify graphene's work function by up to 25 meV. Mechanically generated vector potentials suppress the ballistic conductance of graphene by up to 30% and control its quantum interferences. The data are measured with a custom experimental platform able to precisely tune both the mechanics and electrostatics of suspended graphene transistors at low-temperature over a broad range of strain (up to 2.6%). This work opens many opportunities to harness quantitative strain effects in 2DM quantum transport and technologies. Materials science ; Graphene ; Nanotechnology ; Quantum ; Quantum control ; Control (management) ; Quantum mechanics ; Computer science ; Artificial intelligence ; Physics Graphene research and applications ; Advanced Memory and Neural Computing ; Carbon Nanotubes in Composites
Authors: Junyang Ge | Yixiao Gao | Lei Xu | N. Zhou | Xiang Shen
Source: Chinese Optics Letters (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dual-symmetry-perturbed all-dielectric resonant metasurfaces for high-Q perfect light absorption We demonstrate a high-Q perfect light absorber based on all-dielectric doubly-resonant metasurface. Leveraging bound states in the continuum (BICs) protected by different symmetries, we manage to independently manipulate the Q factors of the two degenerate quasi-BICs through dual-symmetry perturbations, achieving precise matching of the radiative and nonradiative Q factors for degenerate critical coupling. We achieve a narrowband light absorption with a >600 Q factor and a > 99% absorptance at λ0 = 1550 nm on an asymmetric germanium metasurface with a 0.2λ0 thickness. Our work provides a new strategy for engineering multiresonant metasurfaces for narrowband light absorption and nonlinear applications. Optics ; Dielectric ; Absorption (acoustics) ; Symmetry (geometry) ; Physics ; Materials science ; Metamaterial ; Optoelectronics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: Zhongke Zhao | Wenjun Ni | Chunyong Yang | Sixiang Ran | Boxin He | Ruiming Wu | Ping Lu | Perry Ping Shum
Source: Photoacoustics (article, 2024-09-18)
Field: Chemistry — Spectroscopy

Highly sensitive and miniaturized microcone-curved resonant photoacoustic cavity for trace gas detection This paper proposes a novel microcone-curved resonant photoacoustic cell (MCR-PAC) for highly sensitive trace gas detection. The MCR-PAC features with microcone-curved resonant region and cylindrical buffer chamber, which dominates the photoacoustic signal amplification. By introducing the hyperbolic eccentricity as a new optimization dimension, the quality factor of the MCR-PAC is remarkably strengthened to enhance the acoustic pressure amplitude. At an eccentricity value of 5, the volume of the photoacoustic resonant cavity is approximately 0.23 cm<sup>3</sup>. Targeting trace acetylene, the system achieves a minimum detection limit of 1.41 ppb with an integration time of 290 s, corresponding normalized noise equivalent absorption coefficient is 1.88×10<sup>-9</sup> W·cm<sup>-1</sup>·Hz<sup>-1/2</sup>. Compared to the traditional T-type PAC, the overall performance of MCR-PAC has been enhanced nearly fourfold. With its compact millimeter-scale dimensions and high sensitivity, the MCR-PAC demonstrates extensive potential for application in environmental monitoring and breath diagnostics. Photoacoustic imaging in biomedicine ; Trace gas ; Materials science ; Optics ; Optoelectronics ; Physics Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Atmospheric and Environmental Gas Dynamics
Authors: Mateo Valencia Buitrago | Olga Lucía Torres Vargas
Source: LatIA (article, 2024-07-27)
Field: Chemistry — Analytical Chemistry

Classification of tomato ripeness in the agricultural industry using a computer vision system Machine vision systems (SVA) occupy an important place in the field of food and agriculture, these techniques are performed in situ, are efficient, non-invasive, time-saving and more economical than traditional techniques. Tomatoes (Solanum lycopersicum) are extensively cultivated throughout the world, are essential in the agricultural and culinary fields and are recognized for their beneficial contributions to health. Lack of knowledge about fruit maturity, proper harvesting and postharvest handling are factors responsible for large postharvest losses. Therefore, the objective of this research was the construction of a VAS that allows establishing relationships between color and maturity stage of the Chonto Roble F1 tomato. The VAS built is composed of hardware and software duly synchronized through the application of computer vision algorithms in Python 3.9 software that allow it to perform the acquisition and segmentation of the image and present the user with the color coordinates in the CIEL*a*b* system. Finally, color measurements were performed on tomato samples at different stages of ripening in the VAS and a HunterLab ColorQuest XE (EHL) spectrophotometer. The results obtained indicated that there are no significant differences in both measurement systems for L* values, the changes produced in b* and a* were statistically significant for tomato samples. The results obtained indicated the potential use of the constructed VAS for the determination of the degree of maturity of tomatoes in real time, in a non-invasive and low-cost way. Ripeness ; Postharvest ; Ripening ; Machine vision ; Agriculture ; Python (programming language) ; Software ; Solanum ; Agricultural engineering ; Computer science ; Artificial intelligence ; Horticulture ; Computer vision ; Mathematics ; Geography ; Engineering ; Biology Spectroscopy and Chemometric Analyses ; Leaf Properties and Growth Measurement
Authors: Robert Waelder | Chiwoo Park | Arthur W.N. Sloan | Jennifer Carpena‐Núñez | Joshua Yoho | Stéphane Gorsse | Rahul Rao | Benji Maruyama
Source: Carbon (article, 2024-06-18)
Field: Materials Science — Materials Chemistry

Improved understanding of carbon nanotube growth via autonomous jump regression targeting of catalyst activity Catalysis ; Jump ; Carbon nanotube ; Materials science ; Nanotechnology ; Regression ; Nanotube ; Chemical engineering ; Composite material ; Chemistry ; Engineering ; Mathematics ; Organic chemistry ; Physics ; Statistics Carbon Nanotubes in Composites ; Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications