jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hossam F. Nassar | Mahmoud A. Mohamed
Source: Analytical Sciences (article, 2024-02-21)
Field: Chemistry — Electrochemistry

Removal of arsenic(V) using pure zeolite (PZ) and activated dithizone zeolite (ADZ) from aqueous liquids: application to green analytical chemistry The primary aim of the present investigation was to evaluate the efficiency of pure zeolite and activated dithizone zeolite for arsenic(V) removal from aqueous solutions. The analytical eco-scale and analytical greenness for sample preparation results confirm that the proposed method is environmentally friendly. Zeolite adsorbents were characterized and tested for their ability to adsorb arsenic(V) from wastewater. Our study delved into arsenic(V) sorption behavior on pristine and activated zeolites. Through steady-state experiments using pure zeolite and activated dithizone zeolite, we examined the sorption of arsenic from aqueous solutions. We optimized operational parameters, including pH, adsorbent dosage, contact time, and arsenic(V) concentration. Our findings revealed that the Langmuir and Freundlich adsorption isothermal models were highly influential in fitting the experimental data, resulting in statistically significant outcomes. This study highlights the potential of zeolites as outstanding adsorbents for removing arsenic(V) from aqueous solutions. The calculated maximum adsorption capacity (q<sub>max</sub>) of pure zeolite and activated dithizone zeolite was 18.2 and 21.1(mg/g), respectively, with R<sup>2</sup> = 0.999. According to Freundlich's linear model, the experimental isothermal data indicated that activated dithizone zeolite has a higher value of k<sub>f</sub> constant and a lower value of the 1/n constant than that obtained for pure zeolite. These results imply favorable adsorption of arsenic(V) on activated dithizone zeolite. Chemistry ; Zeolite ; Dithizone ; Aqueous solution ; Arsenic ; Inorganic chemistry ; Nuclear chemistry ; Organic chemistry ; Catalysis Electrochemical Analysis and Applications ; Analytical chemistry methods development ; Arsenic contamination and mitigation
Authors: Dzunani Mabasa | Amrita Ranjan | Marilize Le Roes‐Hill | Thandekile Mthethwa | Pamela J. Welz
Source: Processes (article, 2024-05-28)
Field: Materials Science — Biomaterials

Polyhydroxyalkanoate Production by Actinobacterial Isolates in Lignocellulosic Hydrolysate Polyhydroxyalkanoate (PHA) polymers are environmentally friendly alternatives to conventional plastics. In support of a circular bioeconomy, they can be produced by growing microbial strains in waste materials, including lignocellulosic biomass, such as Canola fines (straw). In this study, PHA and polyhydroxybutyrate (PHB) production by a selection of seven wild-type actinobacterial strains, including three strains of Gordonia species, were assessed. When grown in defined media and hydrolysates of Canola fines, the highest amounts of PHB were produced by Nocardia gamkensis CZH20T (0.0476 mg/mL) and Gordonia lacunae BS2T (0.0479 mg/mL), respectively. Six strains exhibited a substrate preference for cellobiose over glucose, xylose, and arabinose in the hydrolysates. Analysis of Fourier transform infrared spectra indicated that the strains produced co-polymers of short- and medium-chain-length PHAs. None of the core phaABC genes were found on defined operons in the genomes of the top PHB-producing strains (all Gordonia strains, N. gamkensis CZH20T, and Streptomyces sp. strain HMC19). The Gordonia strains all harbored three phaA genes, a single phaB gene, and, with the exception of strain BG1.3 (with two predicted phaC genes), a single phaC gene. Predictive analyses of the proteins likely to be translated from the phaC genes revealed PhaC proteins of 37.7–39.2 kDa from Gordonia sp. strain BG1.3, G. lacunae BS2T, and N. gamkensis CZH20T; PhaC proteins of 106.5–107 kDa from Gordonia sp. strain JC51; and the second PhaC from Gordonia sp. strain BG1.3 and N. gamkensis CZH20T, possibly representing a new class of PHA synthases. Polyhydroxyalkanoates ; Hydrolysate ; Production (economics) ; Chemistry ; Cupriavidus necator ; Biotechnology ; Biochemistry ; Biology ; Bacteria ; Economics ; Hydrolysis biodegradable polymer synthesis and properties
Authors: Faizan Raza | Rui Chen | Yungui Ma
Source: Journal of Applied Physics (article, 2024-12-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fano-modulated chiral metasurface for near-infrared sensing via bound states in the continuum We report a plasmonic–dielectric metasurface that offers dynamic control over chiroptical properties, adjustable Q-factors, and inter-band chirality manipulation through multiple symmetry-breaking mechanisms. By controlling chiral quasi-bound states in the continuum (BIC) modes and Fano resonances, we enable hybridized and independently tunable spectral responses, offering precise control over resonance amplitude, polarization sensitivity, and refractive index sensing with high flexibility. Chirality is induced by rotating silicon nanofins on a dielectric spacer with a gold backplate, enabling tunable chiroptical responses with controllable spectral linewidth and independent or simultaneous dual-wavelength band excitation. We report a novel phenomenon of controlling interplay of chirality between two closely positioned wavelength bands to tailor symmetry breaking for a specific resonant mode (chiral) while preserving symmetry for the other mode (achiral). Additionally, we report the phase-sensitive evolution of Fano resonance from pure reflectance dip when controlled by dielectric spacer height and further demonstrated phase-insensitive control of Fano resonance amplitude. We divided Fano resonance into a distinct spectral peak and dip to improve light manipulation within the metasurface. Our proposed sensor demonstrates sensitivity and a quality factor of about 435 nm/RIU and 3888, respectively. Furthermore, we compared different phenomena (chiral selectivity, quasi-BIC, Fano) and sensing parameter values for different metasurface configurations (including single nanofin and absence of a spacer) and observed that the configuration without a spacer achieved the highest sensitivity of approximately 640 nm/RIU. Fano plane ; Fano resonance ; Infrared ; Physics ; Bound state ; Optics ; Optoelectronics ; Condensed matter physics ; Quantum mechanics ; Plasmon ; Geometry Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Yong Rong Chan | Sankaranarayanan Seetharaman | Jerry Ying Hsi Fuh | Lee Heow Pueh
Source: Materials Advances (review, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advancing neodymium permanent magnets with laser powder bed fusion technology: a comprehensive review of process–structure–property relationship This comprehensive review delves into the critical relationship between process, structure, and properties in the context of manufacturing neodymium (NdFeB) permanent magnets using laser powder bed fusion (LPBF) technology. Neodymium ; Magnet ; Process (computing) ; Property (philosophy) ; Fusion ; Materials science ; Laser ; Nanotechnology ; Business ; Mechanical engineering ; Computer science ; Engineering ; Optics ; Physics ; Philosophy Magnetic Properties of Alloys ; Rare-earth and actinide compounds ; Metallurgical and Alloy Processes
Authors: Xin Jiang | Haowen Jia | Xuan Chen | Jiajia Li | Yanling Chen | Jin Jia | Guangzhen Zhao | Lianghao Yu | Guang Zhu | Yuanyuan Zhu
Source: Molecules (article, 2024-03-20)
Field: Materials Science — Materials Chemistry

Broadening the Voltage Window of 3D-Printed MXene Micro-Supercapacitors with a Hybridized Electrolyte The burgeoning demand for miniaturized energy storage devices compatible with the miniaturization trend of electronic technologies necessitates advancements in micro-supercapacitors (MSCs) that promise safety, cost efficiency, and high-speed charging capabilities. However, conventional aqueous MSCs face a significant limitation due to their inherently narrow electrochemical potential window, which restricts their operational voltage and energy density compared to their organic and ionic liquid counterparts. In this study, we introduce an innovative aqueous NaCl/H<sub>2</sub>O/EG hybrid gel electrolyte (comprising common salt (NaCl), H<sub>2</sub>O, ethylene glycol (EG), and SiO<sub>2</sub>) for Ti<sub>3</sub>C<sub>2</sub>T<i><sub>x</sub></i> MXene MSCs that substantially widens the voltage window to 1.6 V, a notable improvement over traditional aqueous system. By integrating the hybrid electrolyte with 3D-printed MXene electrodes, we realized MSCs with remarkable areal capacitance (1.51 F cm<sup>-2</sup>) and energy density (675 µWh cm<sup>-2</sup>), significantly surpassing existing benchmarks for aqueous MSCs. The strategic formulation of the hybrid electrolyte-a low-concentration NaCl solution with EG-ensures both economic and environmental viability while enabling enhanced electrochemical performance. Furthermore, the MSCs fabricated via 3D printing technology exhibit exceptional flexibility and are suitable for modular device integration, offering a promising avenue for the development of high-performance, sustainable energy storage devices. This advancement not only provides a tangible solution to the challenge of limited voltage windows in aqueous MXene MSCs but also sets a new precedent for the design of next-generation MSCs that align with the needs of an increasingly microdevice-centric world. Supercapacitor ; Electrolyte ; Electrochemical window ; Materials science ; Energy storage ; Nanotechnology ; Voltage ; Electrochemistry ; Miniaturization ; Aqueous solution ; Capacitance ; Electrode ; Electrical engineering ; Chemistry ; Engineering ; Ionic conductivity MXene and MAX Phase Materials ; Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials
Authors: Zhihao Lou | Ping Zhang | Penghui Chen | Ziyao Wei | Jian‐Jun Gou | Jie Xu | Chunlin Gong | Feng Gao
Source: Journal of the American Ceramic Society (article, 2024-01-31)
Field: Materials Science — Materials Chemistry

Optimized thermoelectric performance driven by A‐site deficient in Sr <sub> <i>x</i> </sub> La <sub>0.1</sub> TiO <sub>3−</sub> <sub> <i>δ</i> </sub> /TiO <sub>2−</sub> <sub> <i>y</i> </sub> composites Abstract For thermoelectric applications at high temperatures, perovskite SrTiO 3 is a promising contender as an n‐type oxide thermoelectric (TE) material. In this work, Sr x La 0.1 TiO 3− δ /TiO 2− y composite ceramics were successfully synthesized by solid state reaction, using a combination of A‐site cation vacancy and composite fabrication. Through X‐ray diffractometer and scanning electron microscopy analysis, a complex microstructure composed of two kinds of titanium oxides was formed after reductive sintering and annealing. In addition, controlling the content of Sr vacancies in the Sr x La 0.1 TiO 3− δ matrix increased the thermoelectric power factor ( PF ) by optimizing the weighted mobility in the composite, resulting in the highest PF of 425.8 μW m −1 K −2 and the maximum ZT of 0.16 for the Sr 0.875 La 0.1 TiO 3− δ /TiO 2− y composite through the synergistic optimization of electrical and thermal transport properties. The strategy proposed in this study of design A‐site‐deficient composites with nano‐sized metal paved a new way to fabricate high performance oxide thermoelectric materials. Thermoelectric effect ; Materials science ; Diffractometer ; Microstructure ; Thermoelectric materials ; Annealing (glass) ; Sintering ; Seebeck coefficient ; Composite number ; Oxide ; Scanning electron microscope ; Fabrication ; Thermoelectric generator ; Perovskite (structure) ; Mineralogy ; Nanotechnology ; Chemical engineering ; Metallurgy ; Composite material ; Thermal conductivity ; Chemistry Advanced Thermoelectric Materials and Devices ; Perovskite Materials and Applications ; Thermal Expansion and Ionic Conductivity
Authors: Jin Cheng | Chunyang Li | Meng Meng | Jianxun Li | S. S. Liu | Hai‐Yan Cao | Ning Wang | Yu‐Zhong Zhang | Lu‐Ning Liu
Source: PLANT PHYSIOLOGY (article, 2024-08-22)
Field: Materials Science — Materials Chemistry

Molecular interactions of the chaperone CcmS and carboxysome shell protein CcmK1 that mediate β-carboxysome assembly The carboxysome is a natural proteinaceous organelle for carbon fixation in cyanobacteria and chemoautotrophs. It comprises hundreds of protein homologs that self-assemble to form a polyhedral shell structure to sequester cargo enzymes, ribulose 1,5-bisphosphate carboxylase/oxygenase (Rubisco), and carbonic anhydrases. How these protein components assemble to construct a functional carboxysome is a central question in not only understanding carboxysome structure and function but also synthetic engineering of carboxysomes for biotechnological applications. Here, we determined the structure of the chaperone protein CcmS, which has recently been identified to be involved in β-carboxysome assembly, and its interactions with β-carboxysome proteins. The crystal structure at 1.99 Å resolution reveals CcmS from Nostoc sp. PCC 7120 forms a homodimer, and each CcmS monomer consists of five α-helices and four β-sheets. Biochemical assays indicate that CcmS specifically interacts with the C-terminal extension of the carboxysome shell protein CcmK1, but not the shell protein homolog CcmK2 or the carboxysome scaffolding protein CcmM. Moreover, we solved the structure of a stable complex of CcmS and the C-terminus of CcmK1 at 1.67 Å resolution and unveiled how the CcmS dimer interacts with the C-terminus of CcmK1. These findings allowed us to propose a model to illustrate CcmS-mediated β-carboxysome assembly by interacting with CcmK1 at the outer shell surface. Collectively, our study provides detailed insights into the accessory factors that drive and regulate carboxysome assembly, thereby improving our knowledge of carboxysome structure, function, and bioengineering. Chemistry Enzyme Structure and Function ; Endoplasmic Reticulum Stress and Disease ; Protein Structure and Dynamics
Authors: Ying‐Chieh Lai | Ching‐Yi Hsieh | Yu‐Hsiang Juan | Kuan‐Ying Lu | Hsien-Ju Lee | Shu‐Hang Ng | Yung‐Liang Wan | Gigin Lin
Source: Korean Journal of Radiology (review, 2024-01-01)
Field: Chemistry — Spectroscopy

Hyperpolarized Carbon-13 Magnetic Resonance Imaging: Technical Considerations and Clinical Applications Hyperpolarized (HP) carbon-13 (<sup>13</sup>C) MRI represents an innovative approach for noninvasive, real-time assessment of dynamic metabolic flux, with potential integration into routine clinical MRI. The use of [1-<sup>13</sup>C]pyruvate as a probe and its conversion to [1-<sup>13</sup>C]lactate constitute an extensively explored metabolic pathway. This review comprehensively outlines the establishment of HP <sup>13</sup>C-MRI, covering multidisciplinary team collaboration, hardware prerequisites, probe preparation, hyperpolarization techniques, imaging acquisition, and data analysis. This article discusses the clinical applications of HP <sup>13</sup>C-MRI across various anatomical domains, including the brain, heart, skeletal muscle, breast, liver, kidney, pancreas, and prostate. Each section highlights the specific applications and findings pertinent to these regions, emphasizing the potential versatility of HP <sup>13</sup>C-MRI in diverse clinical contexts. This review serves as a comprehensive update, bridging technical aspects with clinical applications and offering insights into the ongoing advancements in HP <sup>13</sup>C-MRI. Medicine ; Magnetic resonance imaging ; Nuclear magnetic resonance ; Magnetic resonance spectroscopic imaging ; Medical physics ; Radiology Advanced NMR Techniques and Applications ; Advanced MRI Techniques and Applications ; Atomic and Subatomic Physics Research
Authors: Maria Sarkisian | Luke N. Rodda
Source: Drug Testing and Analysis (review, 2024-05-09)
Field: Chemistry — Spectroscopy

The use of sequential window acquisition of all theoretical fragment ion spectra (SWATH), a data‐independent acquisition high‐resolution mass spectrometry approach, in forensic toxicological regimes: A review Sequential window acquisition of all theoretical fragment ion spectra (SWATH) is a type of high-resolution mass spectrometry that uses data-independent acquisition. Compared with more targeted acquisition schemes, the power behind this data-independent acquisition technique comes from its ability to mitigate interferences via the use of SWATH acquisition windows (Q1 quadrupole isolation windows) while still obtaining all accurate mass information. However, consistent with high-resolution mass spectrometry techniques, its routine and high throughput implementation in forensic toxicology is limited due to the complex processing power required to effectively manage the large amount of acquired data. It is therefore pivotal to create an efficient and validated identification criterion that confidently reports suspected positive detections as a confirmational technique for final reporting. This review examines all publications that implemented SWATH in a forensic toxicological framework with suggestive best practices and commonly used criteria. Seventeen publications were reviewed for extraction, liquid chromatography and mass spectrometry parameters, and more specifically for all SWATH applicable characteristics including spray voltages, collision energies and spreads, mass error, isotopic ratio difference, retention time error, and library score thresholds. Notwithstanding the challenges SWATH implementation faces for a laboratory, the technique demonstrates its potential to be utilized in routine forensic toxicology testing regimes and aids in the detection of both common and emerging novel drugs simultaneously. Data acquisition ; Mass spectrometry ; Computer science ; Identification (biology) ; Collision ; Data mining ; Chemistry ; Chromatography ; Computer security Mass Spectrometry Techniques and Applications ; Analytical chemistry methods development ; Forensic Toxicology and Drug Analysis
Authors: Marco Klotz | Richard Waltrich | Niklas Lettner | V. Agafonov | Alexander Kubanek
Source: Nanophotonics (article, 2024-03-12)
Field: Materials Science — Materials Chemistry

Strongly coupled spins of silicon‐vacancy centers inside a nanodiamond with sub‐megahertz linewidth The search for long-lived quantum memories, which can be efficiently interfaced with flying qubits, is longstanding. One possible solution is to use the electron spin of a color center in diamond to mediate interaction between a long-lived nuclear spin and a photon. Realizing this in a nanodiamond furthermore facilitates the integration into photonic devices and enables the realization of hybrid quantum systems with access to quantum memories. Here, we investigated the spin environment of negatively charged silicon-vacancy centers in a nanodiamond and demonstrate strong coupling of its electron spin, while the electron spin's decoherence rate remained below 1 MHz. We furthermore demonstrate multi-spin coupling with the potential to establish registers of quantum memories in nanodiamonds. Nanodiamond ; Spins ; Nitrogen-vacancy center ; Qubit ; Spin (aerodynamics) ; Quantum decoherence ; Spin engineering ; Diamond ; Optoelectronics ; Quantum technology ; Coupling (piping) ; Photon ; Photonics ; Quantum computer ; Physics ; Realization (probability) ; Quantum ; Materials science ; Nanotechnology ; Condensed matter physics ; Electron ; Quantum mechanics ; Spin polarization ; Open quantum system Diamond and Carbon-based Materials Research ; Advanced Fiber Laser Technologies ; Mechanical and Optical Resonators
Authors: Deyvid Novaes Marques | Fernando Ângelo Piotto | Ricardo Antunes Azevedo
Source: International Journal of Molecular Sciences (review, 2024-11-19)
Field: Chemistry — Analytical Chemistry

Phosphoproteomics: Advances in Research on Cadmium-Exposed Plants With the increasing concern on heavy metal contamination in agriculture and other environmental settings, unraveling the mechanisms of cadmium (Cd) tolerance and response in plants has become highly important. Ongoing plant Cd research over the years has focused on strategic and relevant aspects, including molecular, biochemical, and physiological processes. From this perspective, phosphoproteomics appears to be an innovative and powerful approach to investigating plant responses to Cd stress. Here, we summarize progress in plant Cd research across different plant species regarding large-scale phosphoproteomic investigations. Some studies revealed major proteins participating in detoxification, stress signaling, and metabolism, along with their regulation through phosphorylation, which modulates the plant's defense against Cd. However, many pathways remain unexplored. Expanding these studies will help our ability to alleviate Cd stress and provide further information concerning involved mechanisms. Our purpose is to inspire researchers to further explore the use of phosphoproteomics in unraveling such complex mechanisms of Cd tolerance and response across various plant species, with the ultimate aim of enhancing strategies for mitigating Cd stress in agriculture and polluted environments. Phosphoproteomics ; Cadmium ; Computational biology ; Biology ; Chemistry ; Biochemistry Heavy Metals in Plants ; Plant Stress Responses and Tolerance ; Aluminum toxicity and tolerance in plants and animals
Authors: Hayoung Son | Dahham Kim | Sohee Kim | Wan Gi Byun | Seung Bum Park
Source: Angewandte Chemie International Edition (article, 2024-11-29)
Field: Chemistry — Organic Chemistry

Unveiling the Structure‐Fluorogenic Property Relationship of Seoul‐Fluor‐Derived Bioorthogonal Tetrazine Probes Tetrazine (Tz)-embedded fluorescent probes, known for their fluorogenicity following bioorthogonal inverse electron-demand Diels-Alder (iEDDA) reactions, are extensively used in bioimaging. Despite extensive research on fluorogenic Tz probes, there has been limited systematic exploration of their fluorogenic responses with various dienophiles. In this study, we elucidate the structure-fluorogenic property relationship of bioorthogonal Tz probes. We synthesized a series of Seoul-Fluor-Tz (SF<sub>Tz</sub>) probes designed to exhibit differentiated turn-on fluorescence upon iEDDA reactions with three dienophiles: trans-cyclooctene (TCO), bicyclo[6.1.0]nonyne (BCN), and spiro[2.3]hex-1-ene (Sph). Our findings revealed that the fluorogenic properties of the SF<sub>Tz</sub> probes are highly dependent on the structures of Tz-dienophile adducts. By systematically modifying the electronic properties and employing quantum chemical calculations, we developed a series of SF<sub>Tz</sub> probes with optimal dienophile-dependent fluorescence. These probes enabled simultaneous dual-color imaging of different cellular targets using a single probe, providing a robust approach for advanced bioimaging applications that require precise and efficient multicolor labeling strategies. Bioorthogonal chemistry ; Tetrazine ; Fluorescence ; Chemistry ; Combinatorial chemistry ; Bicyclic molecule ; Nanotechnology ; Click chemistry ; Stereochemistry ; Materials science ; Organic chemistry Click Chemistry and Applications ; Synthesis and Biological Evaluation ; Chemical Synthesis and Analysis
Authors: Dechao Yu | Benchun Li | Arend Zhang | J. Pol | Dawei Zhang | Songlin Zhuang | Difei Zhou
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Harnessing lanthanides for blue-to-UVB upconversion and its dye-sensitization An upconverter upconverts blue light into UVB photons, which can be used in dermatology to cure certain skin diseases. This concept mitigates the effects of UVB toxicity on healthy skin regions that may occur when direct UVB is administered. Photon upconversion ; Materials science ; Lanthanide ; Sensitization ; Blue light ; Photochemistry ; Optoelectronics ; Nanotechnology ; Ion ; Organic chemistry ; Doping ; Medicine ; Chemistry Luminescence Properties of Advanced Materials ; Lanthanide and Transition Metal Complexes ; Nanoplatforms for cancer theranostics