jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Francisco Laborda | Isabel Abad-Álvaro | María S. Jiménez | Eduardo Bolea
Source: Spectrochimica Acta Part B Atomic Spectroscopy (article, 2022-11-13)
Field: Chemistry — Analytical Chemistry

Catching particles by atomic spectrometry: Benefits and limitations of single particle - inductively coupled plasma mass spectrometry Single particle inductively coupled plasma mass spectrometry (SP-ICP-MS) has led ICP-MS into a new dimension, turning an ensemble technique for elemental and isotope ratio analysis into a particle counting technique and well beyond. SP-ICP-MS allows the detection of particles, their size characterization and the quantification of their number and mass concentrations, as well as the dissolved forms of the target element(s). Although the technique is mostly applied to metal- and metalloid-based nanoparticles, its application to microparticles and carbon-based particles are emerging. After twenty years since the first publications and more than ten years of ongoing development, SP-ICP-MS has reached a high degree of maturity, with an increasing number of applications in a wide range of fields. Despite this trend, there are aspects related to the fundamentals of the technique that still require further studies. This review is organized around the fundamentals of the technique along with the different steps and processes involved, from the sample introduction to the signal processing, offering an updated view of these topics, focusing on the benefits and current limitations of the technique, as well as its future perspectives. Inductively coupled plasma mass spectrometry ; Mass spectrometry ; Metalloid ; Characterization (materials science) ; Particle (ecology) ; Accelerator mass spectrometry ; Inductively coupled plasma ; Nanoparticle ; Analytical Chemistry (journal) ; Chemistry ; Materials science ; Nanotechnology ; Environmental chemistry ; Metal ; Plasma ; Chromatography ; Physics ; Metallurgy ; Nuclear physics ; Geology Analytical chemistry methods development ; Ion-surface interactions and analysis ; Heavy metals in environment
Authors: Dieter K. Schneider | Alexei S. Soares | Edwin Lazo | Dale F. Kreitler | Kun Qian | Martin R. Fuchs | Dileep Bhogadi | Steve Antonelli | Stuart S. Myers | Bruno Martins | John M. Skinner | Jun Aishima | H. J. Bernstein | Thomas Langdon | John Lara | Robert Petkus | Matt Cowan | Leonid Flaks | Thomas J. Smith | Grace Shea-McCarthy | Mourad Idir | Lei Huang | Oleg Chubar | Robert M. Sweet | L. E. Berman | Seán McSweeney | Jean Jakoncic
Source: Journal of Synchrotron Radiation (article, 2022-10-21)
Field: Materials Science — Materials Chemistry

AMX – the highly automated macromolecular crystallography (17-ID-1) beamline at the NSLS-II The highly automated macromolecular crystallography beamline AMX/17-ID-1 is an undulator-based high-intensity (>5 × 10<sup>12</sup> photons s<sup>-1</sup>), micro-focus (7 µm × 5 µm), low-divergence (1 mrad × 0.35 mrad) energy-tunable (5-18 keV) beamline at the NSLS-II, Brookhaven National Laboratory, Upton, NY, USA. It is one of the three life science beamlines constructed by the NIH under the ABBIX project and it shares sector 17-ID with the FMX beamline, the frontier micro-focus macromolecular crystallography beamline. AMX saw first light in March 2016 and started general user operation in February 2017. At AMX, emphasis has been placed on high throughput, high capacity, and automation to enable data collection from the most challenging projects using an intense micro-focus beam. Here, the current state and capabilities of the beamline are reported, and the different macromolecular crystallography experiments that are routinely performed at AMX/17-ID-1 as well as some plans for the near future are presented. Beamline ; Undulator ; National laboratory ; Optics ; Physics ; Beam (structure) ; Engineering physics Enzyme Structure and Function ; Advanced Electron Microscopy Techniques and Applications ; Biochemical and Molecular Research
Authors: Xuhai Yang | Lichun Zhu | Xiao Huang | Qian Zhang | Sheng Li | Qiling Chen | Zhendong Wang | Jingbin Li
Source: Frontiers in Plant Science (article, 2022-07-06)
Field: Chemistry — Analytical Chemistry

Determination of the Soluble Solids Content in Korla Fragrant Pears Based on Visible and Near-Infrared Spectroscopy Combined With Model Analysis and Variable Selection The non-destructive detection of soluble solids content (SSC) in fruit by near-infrared (NIR) spectroscopy has a good application prospect. At present, the application of portable devices is more common. The construction of an accurate and stable prediction model is the key for the successful application of the device. In this study, the visible and near-infrared (Vis/NIR) spectra of Korla fragrant pears were collected by a commercial portable measurement device. Different pretreatment methods were used to preprocess the raw spectra, and the partial least squares (PLS) model was constructed to predict the SSC of pears for the determination of the appropriate pretreatment method. Subsequently, PLS and least squares support vector machine (LS-SVM) models were constructed based on the preprocessed full spectra. A new combination (BOSS-SPA) of bootstrapping soft shrinkage (BOSS) and successive projections algorithm (SPA) was used for variable selection. For comparison, single BOSS and SPA were also used for variable selection. Finally, three types of models, namely, PLS, LS-SVM, and multiple linear regression (MLR), were constructed based on different input variables. Comparing the prediction performance of all models, it showed that the BOSS-SPA-PLS model based on 17 variables obtained the best SSC assessment ability with <i>r</i> <sub>p</sub> of 0.94 and <i>RMSEP</i> of 0.27 °Brix. The overall result indicated that portable measurement with Vis/NIR spectroscopy can be used for the detection of SSC in Korla fragrant pears. Partial least squares regression ; Feature selection ; Support vector machine ; Boss ; Chemometrics ; Linear discriminant analysis ; Near-infrared spectroscopy ; Artificial intelligence ; Pattern recognition (psychology) ; Biological system ; Mathematics ; Chemistry ; Computer science ; Analytical Chemistry (journal) ; Statistics ; Materials science ; Chromatography ; Physics ; Optics ; Biology Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Essential Oils and Antimicrobial Activity
Authors: Jixiang Cai | Fei Zhang | Mingbo Pu | Chen Yan | Yinghui Guo | Ting Xie | Xingdong Feng | Xiaoliang Ma | Xiong Li | Hong-Lin Yu | Xiangang Luo
Source: Nanophotonics (article, 2022-02-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All‐metallic high‐efficiency generalized Pancharatnam–Berry phase metasurface with chiral meta‐atoms Metasurfaces based on the Pancharatnam-Berry (PB) phase have attracted significant attention in the domains of subwavelength optics and electromagnetics. Conventional theory predicts that the PB phase is exactly twice the rotation angle of the anisotropic meta-atoms. Differently, a recent advance has demonstrated that the generalized PB phase representing multiple times of the rotation angle could be obtained with high-fold rotational symmetry meta-atoms, but it suffers from the low cross-polarization conversion efficiency (the theoretical upper limit of 25%) that impedes its further applications, especially for meta-atoms with rotational symmetry ≥3. Here, we verify that the chiral meta-atoms with high-fold rotational symmetries could produce the generalized PB phase. Besides, the all-metallic configuration is utilized to design C2, C3, and C5 chiral catenary meta-atoms to improve their efficiency and bandwidth. The equivalent air waveguide with low loss between two adjacent meta-atoms is formed to analyse the higher performances of the all-metallic scheme for the realization of the generalized PB phase compared with the metal-insulator-metal and all-dielectric C3 meta-atoms. As a proof of concept, four metadevices including two spin-Hall metadevices and two holograms are experimentally demonstrated and their maximum efficiency could exceed 83% in simulation. This work could provide a high-efficiency platform for the study of the generalized PB phase in linear and nonlinear optics. Geometric phase ; Polarization (electrochemistry) ; Homogeneous space ; Photonics ; Physics ; Phase (matter) ; Materials science ; Optics ; Quantum mechanics ; Chemistry ; Geometry Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Bruno M. Esteves | Sergio Morales‐Torres | Luı́s M. Madeira | Francisco J. Maldonado‐Hódar
Source: Journal of Environmental Management (article, 2022-01-18)
Field: Chemistry — Organic Chemistry

Specific adsorbents for the treatment of OMW phenolic compounds by activation of bio-residues from the olive oil industry A series of adsorbents was developed by physical (CO<sub>2</sub>) and chemical (KOH) activation of two bio-residues: olive stones (OS) and wood from olive tree pruning (OTP). The physicochemical properties of such materials were determined and correlated with their adsorptive performance in the removal of phenolic compounds of olive mill wastewater (OMW). Adsorption isotherms and kinetics of single phenolic acids, as well as the kinetics for competitive multi-compound adsorption, were fitted by applying different models, though Langmuir and pseudo-second order models fitted better the experimental results, respectively. The intraparticle diffusion model pointed out that mesoporosity reduces the influence of phenolic compounds' restrictions in the external film diffusion of the adsorbent particle-solution interphase, but adsorption capacity linearly increases with the micropore volume accessible to N<sub>2</sub> at -196 °C (and also with BET surface area), while diffusion into ultramicropores (<0.7 nm, determined by CO<sub>2</sub>-adsorption) is slow and presents minor influence on the total adsorption capacity. After saturation, thermal regeneration of spent adsorbents allows the removal of adsorbed products, enabling the reuse of samples whilst maintaining a significant performance. Adsorption ; Chemistry ; Wastewater ; Chemical engineering ; Kinetics ; Diffusion ; Langmuir ; Microporous material ; Saturation (graph theory) ; Pulp and paper industry ; Chromatography ; Langmuir adsorption model ; Organic chemistry ; Waste management ; Thermodynamics Edible Oils Quality and Analysis ; Adsorption and biosorption for pollutant removal ; Pickering emulsions and particle stabilization
Authors: Yunling Shao | Jiaqi Duan | Miao Wang | Jing Cao | Yongxin She | Zhen Cao | Guangyue Li | Fen Jin | Jing Wang | A.M. Abd El‐Aty
Source: Polymers (review, 2022-12-30)
Field: Chemistry — Analytical Chemistry

Application of Molecularly Imprinted Electrochemical Biomimetic Sensors for Detecting Small Molecule Food Contaminants Environmental chemical contaminants in food seriously impact human health and food safety. Successful detection methods can effectively monitor the potential risk of emerging chemical contaminants. Among them, molecularly imprinted polymers (MIPs) based on electrochemical biomimetic sensors overcome many drawbacks of conventional detection methods and offer opportunities to detect contaminants with simple equipment in an efficient, sensitive, and low-cost manner. We searched eligible papers through the Web of Science (2000-2022) and PubMed databases. Then, we introduced the sensing mechanism of MIPs, outlined the sample preparation methods, and summarized the MIP characterization and performance. The classification of electrochemistry, as well as its advantages and disadvantages, are also discussed. Furthermore, the representative application of MIP-based electrochemical biomimetic sensors for detecting small molecular chemical contaminants, such as antibiotics, pesticides, toxins, food additives, illegal additions, organic pollutants, and heavy metal ions in food, is demonstrated. Finally, the conclusions and future perspectives are summarized and discussed. Molecularly imprinted polymer ; Nanotechnology ; Contamination ; Biochemical engineering ; Human health ; Food safety ; Pollutant ; Materials science ; Environmental science ; Environmental chemistry ; Computer science ; Chemistry ; Selectivity ; Organic chemistry Analytical chemistry methods development ; Advanced Chemical Sensor Technologies ; Biosensors and Analytical Detection
Authors: Ashraf Morsy | Amira S. Mahmoud | Aya Soliman | Hesham Ibrahim | Eman A. Fadl
Source: Scientific Reports (article, 2022-03-14)
Field: Materials Science — Biomaterials

Improved anti-biofouling resistances using novel nanocelluloses/cellulose acetate extracted from rice straw based membranes for water desalination Cellulose and Nanocellulose acetate (NCA) have attractive novel properties like excellent mechanical properties, rich hydroxyl groups for modification, and natural properties with environmental friendliness. Cellulose was extracted from rice straw wastes as an extra value, then it had been further transformed into NCA using the acidic hydrolysis technique. The structural, crystalline, morphological, were characterized by Fourier transform infrared spectroscopy (FTIR), Proton nuclear magnetic resonance (<sup>1</sup>HNMR), X-ray diffraction (XRD), Scanning microscopy, respectively. The particle size of the Nanocellulose extracted from rice straw was about 22 nm with a spherical shape. Development membranes were prepared with different concentrations of NCA to improve the performance and the anti-biofouling properties of cellulose acetate reverse osmosis (RO) membranes using a phase inversion technique. The structural of membranes were characterized by FTIR, water contact angle measurements, while the anti-biofouling properties were studied by static protein adsorption. The results indicated the development membrane features a lower contact angle accomplished with exhibits pore-forming ability and enhanced hydrophilicity of prepared membrane, furthermore the development cellulose acetate reverse osmosis (CA-RO) membranes with 40:60% RNCA:CA produced a salt rejection of 97.4% and a water flux of 2.2 L/m<sup>2</sup> h. the development membrane have resists effectively protein adsorption and microbial growth showed from the results of Static protein adsorption. Contact angle ; Membrane ; Biofouling ; Nanocellulose ; Fourier transform infrared spectroscopy ; Chemical engineering ; Phase inversion ; Cellulose ; Reverse osmosis ; Adsorption ; Cellulose acetate ; Materials science ; Chemistry ; Nuclear chemistry ; Organic chemistry ; Biochemistry Advanced Cellulose Research Studies ; Carbon and Quantum Dots Applications ; Microplastics and Plastic Pollution
Authors: Dorian Béret | Ioannis Paradisanos | Hassan Lamsaadi | Ziyang Gan | Emad Najafidehaghani | Antony George | Tibor Lehnert | Johannes Biskupek | Ute Kaiser | Shivangi Shree | Ana Estrada‐Real | Delphine Lagarde | X. Marie | P. Renucci | Kenji Watanabe | Takashi Taniguchi | Sébastien Weber | Vincent Paillard | Laurent Lombez | Jean‐Marie Poumirol | Andrey Turchanin | Bernhard Urbaszek
Source: npj 2D Materials and Applications (article, 2022-11-19)
Field: Materials Science — Materials Chemistry

Exciton spectroscopy and unidirectional transport in MoSe2-WSe2 lateral heterostructures encapsulated in hexagonal boron nitride Abstract Chemical vapor deposition (CVD) allows lateral edge epitaxy of transition metal dichalcogenide heterostructures. Critical for carrier and exciton transport is the material quality and the nature of the lateral heterojunction. Important details of the optical properties were inaccessible in as-grown heterostructure samples due to large inhomogeneous broadening of the optical transitions. Here we perform optical spectroscopy of CVD grown MoSe 2 -WSe 2 lateral heterostructures, encapsulated in hBN. Photoluminescence (PL), reflectance contrast and Raman spectroscopy reveal optical transition linewidths similar to high quality exfoliated monolayers, while PL imaging experiments uncover the effective excitonic diffusion length of both materials. The typical extent of the covalently bonded MoSe 2 -WSe 2 heterojunctions is 3 nm measured by scanning transmission electron microscopy (STEM). Tip-enhanced, sub-wavelength optical spectroscopy mapping shows the high quality of the heterojunction which acts as an excitonic diode resulting in unidirectional exciton transfer from WSe 2 to MoSe 2 . Heterojunction ; Materials science ; Exciton ; Photoluminescence ; Spectroscopy ; Raman spectroscopy ; Chemical vapor deposition ; Optoelectronics ; Monolayer ; Epitaxy ; Nanotechnology ; Optics ; Condensed matter physics ; Layer (electronics) 2D Materials and Applications ; Perovskite Materials and Applications ; Quantum Dots Synthesis And Properties
Authors: Kohei Hamaya | M. Yamada
Source: MRS Bulletin (article, 2022-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Semiconductor spintronics with Co2-Heusler compounds Abstract Ferromagnetic Co 2 -Heusler compounds showing high spin polarization have been utilized as spin injectors and detectors for III–V and Group-IV semiconductors. In this article, we first describe the progress in the crystal growth of Co 2 -Heusler films on GaAs(001) and Ge(111) by low-temperature molecular beam epitaxy. Next, some examples of electrical spin injection from Co 2 -Heusler contacts into GaAs and Ge through Schottky-tunnel barriers are introduced. Thanks to those efforts, it was found that Co 2 -Heusler compounds are useful for the realization of spin injection, transport, and detection in GaAs and Ge at room temperature. However, to achieve highly efficient spin transport, it is very important to suppress the interfacial out-diffusion of GaAs or Ge into the Co 2 -Heusler layer near the heterojunction. Recent progress in high-quality Co 2 -Heusler/Ge heterojunctions has demonstrated two-terminal magnetoresistance ratios of more than 0.1% at room temperature even for semiconductor spintronic device structures. The approach using Co 2 -Heusler compounds provides a powerful solution to the need for simultaneous achievement of highly efficient spin injection and low electric power at the source and drain contacts in semiconductor devices such as a spin MOSFET. Graphical abstract Spintronics ; Materials science ; Heterojunction ; Semiconductor ; Schottky diode ; Schottky barrier ; Optoelectronics ; Magnetoresistance ; Ferromagnetism ; Condensed matter physics ; Molecular beam epitaxy ; Spin polarization ; Magnetic semiconductor ; Epitaxy ; Nanotechnology ; Diode ; Magnetic field ; Layer (electronics) ; Physics ; Electron Heusler alloys: electronic and magnetic properties ; Quantum and electron transport phenomena ; Magnetic properties of thin films
Authors: Bin Huang | Hao Kang | Changwei Zhang | Xiao‐Li Zhao | Xueliang Shi | Hai‐Bo Yang
Source: Communications Chemistry (article, 2022-10-14)
Field: Chemistry — Organic Chemistry

Design of an open-shell nitrogen-centered diradicaloid with tunable stimuli-responsive electronic properties Organic diradicaloids usually display an open-shell singlet ground state with significant singlet diradical character (y<sub>0</sub>) which endow them with intriguing physiochemical properties and wide applications. In this study, we present the design of an open-shell nitrogen-centered diradicaloid which can reversibly respond to multiple stimuli and display the tunable diradical character and chemo-physical properties. 1a was successfully synthesized through a simple and high-yielding two-step synthetic strategy. Both experimental and calculated results indicated that 1a displayed an open-shell singlet ground state with small singlet-triplet energy gap (ΔE<sub>S-T</sub> = -2.311 kcal mol<sup>-</sup><sup>1</sup>) and a modest diradical character (y<sub>0</sub> = 0.60). Interestingly, 1a was demonstrated to undergo reversible Lewis acid-base reaction to form acid-base adducts, which was proven to effectively tune the ground-state electronic structures of 1a as well as its diradical character and spin density distributions. Based on this, we succeeded in devising a photoresponsive system based on 1a and a commercially available photoacid merocyanine (MEH). We believe that our studies including the molecular design methodology and the stimuli-responsive organic diradicaloid system will open up a new way to develop organic diradicaloids with tunable properties and even intelligent-responsive diradicaloid-based materials. Shell (structure) ; Open shell ; Nitrogen ; Materials science ; Nanotechnology ; Physics ; Atomic physics ; Composite material ; Quantum mechanics Synthesis and Properties of Aromatic Compounds ; Porphyrin and Phthalocyanine Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Tayyaba Mubashir | Mudassir Hussain Tahir | Yasir Altaf | Farooq Ahmad | Muhammad Arshad | Ahmad Hakamy | Muhammad Sulaman
Source: Journal of Photochemistry and Photobiology A Chemistry (article, 2022-12-15)
Field: Materials Science — Materials Chemistry

Statistical analysis and visualization of data of non-fullerene small molecule acceptors from Harvard organic photovoltaic database. Structural similarity analysis with famous non-fullerene small molecule acceptors to search new building blocks Organic solar cell ; Visualization ; Similarity (geometry) ; Computer science ; Photovoltaic system ; Fullerene ; Database ; Data mining ; Photovoltaics ; Information retrieval ; Data science ; Chemistry ; Artificial intelligence ; Engineering Machine Learning in Materials Science ; Organic Electronics and Photovoltaics ; Computational Drug Discovery Methods
Authors: Amy J. Knorpp | A. Zawisza | Shangxiong Huangfu | Aurelio Borzì | Adam H. Clark | Dariusz Kata | Thomas Graule | Michael Stuer
Source: RSC Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Hydrothermal synthesis of multi-cationic high-entropy layered double hydroxides High-entropy materials are compositionally complex materials which often contain five or more elements. The most commonly studied materials in this field are alloys and oxides, where their composition allows for tunable materials properties. High-entropy layered double hydroxides have been recently touted as the next focus for the field of high-entropy materials to expand into. However, most previous work on multi-cationic layered double hydroxides has focused on syntheses with 5 or less cations in the structure. To bridge this gap into high-entropy materials, this work explores the range and extent of different compositional combinations for high-entropy double layered hydroxides. Specifically, pure layered double hydroxides were synthesized with different combinations of 7 cations (Mg, Co, Cu, Zn, Ni, Al, Fe, Cr) as well as one combination of 8 cations by utilizing a hydrothermal synthesis method. Furthermore, magnetic properties of the 8-cation LDH were investigated. Cationic polymerization ; Layered double hydroxides ; Hydrothermal circulation ; Hydrothermal synthesis ; Chemistry ; Hydrothermal reaction ; Materials science ; Chemical engineering ; Inorganic chemistry ; Polymer chemistry ; Hydroxide Layered Double Hydroxides Synthesis and Applications ; Magnesium Oxide Properties and Applications ; Thermal Expansion and Ionic Conductivity