jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Poonsak Miphokasap | Wasinee Wannasiri
Source: Sustainability (article, 2018-04-20)
Field: Chemistry — Analytical Chemistry

Estimations of Nitrogen Concentration in Sugarcane Using Hyperspectral Imagery This study aims to estimate the spatial variation of sugarcane Canopy Nitrogen Concentration (CNC) using spectral data, which were measured from a spaceborne hyperspectral image. Stepwise Multiple Linear Regression (SMLR) and Support Vector Regression (SVR) were applied to calibrate and validate the CNC estimation models. The raw spectral reflectance was transformed into a First-Derivative Spectrum (FDS) and absorption features to remove the spectral noise and finally used as input variables. The results indicate that the estimation models developed by non-linear SVR based Radial Basis Function (RBF) kernel yield the higher correlation coefficient with CNC compared with the models computed by SMLR. The best model shows the coefficient of determination value of 0.78 and Root Mean Square Error (RMSE) value of 0.035% nitrogen. The narrow sensitive spectral wavelengths for quantifying nitrogen content in the combined cultivar environments existed mainly in the electromagnetic spectrum of the visible-red, longer portion of red edge, shortwave infrared regions and far-near infrared. The most important conclusion from this experiment is that spectral signals from the space hyperspectral data contain the meaningful information for quantifying sugarcane CNC across larger geographic areas. The nutrient deficient areas could be corrected by applying suitable farm management. Hyperspectral imaging ; Red edge ; Mean squared error ; Remote sensing ; Correlation coefficient ; Coefficient of determination ; Linear regression ; Canopy ; Mathematics ; Environmental science ; Statistics ; Botany ; Geography Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Remote-Sensing Image Classification
Authors: Julius Tschannerl | Jinchang Ren | Frances Jack | Julius Krause | Huimin Zhao | Wenjiang Huang | Stephen Marshall
Source: Food Chemistry (article, 2018-07-17)
Field: Chemistry — Analytical Chemistry

Potential of UV and SWIR hyperspectral imaging for determination of levels of phenolic flavour compounds in peated barley malt Hyperspectral imaging ; Flavour ; Aroma ; Phenols ; Chemistry ; Mean squared error ; Remote sensing ; Food science ; Mathematics ; Statistics ; Geology ; Organic chemistry Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Yuan Zhang | Yi Zhang | Quan Guo | Xiangli Zhong | Ying‐Hao Chu | Haidong Lu | Gaokuo Zhong | Jie Jiang | Congbing Tan | Min Liao | Zhihui Lü | Dongwen Zhang | Jinbin Wang | Jianmin Yuan | Yichun Zhou
Source: npj Computational Materials (article, 2018-07-18)
Field: Materials Science — Materials Chemistry

Characterization of domain distributions by second harmonic generation in ferroelectrics Abstract Domain orientations and their volume ratios in ferroelectrics are recognized as a compelling topic recently for domain switching dynamics and domain stability in devices application. Here, an optimized second harmonic generation method has been explored for ferroelectric domain characterization. Combing a unique theoretical model with azimuth-polarization-dependent second harmonic generation response, the complex domain components and their distributions can be rigidly determined in ferroelectric thin films. Using the proposed model, the domain structures of rhombohedral BiFeO 3 films with 71° and 109° domain wall, and, tetragonal BiFeO 3 , Pb(Zr 0.2 Ti 0.8 )O 3 , and BaTiO 3 ferroelectric thin films are analyzed and the corresponding polarization variants are determined. This work could provide a powerful and all-optical method to track and evaluate the evolution of ferroelectric domains in the ferroelectric-based devices. Ferroelectricity ; Polarization (electrochemistry) ; Materials science ; Tetragonal crystal system ; Second-harmonic generation ; Characterization (materials science) ; Domain engineering ; Domain (mathematical analysis) ; Thin film ; Condensed matter physics ; Harmonic ; Azimuth ; Optics ; Optoelectronics ; Nanotechnology ; Dielectric ; Physics ; Computer science ; Crystallography ; Crystal structure ; Chemistry ; Mathematics ; Acoustics ; Physical chemistry Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; Acoustic Wave Resonator Technologies
Authors: Qinyu Kong | Laurence Bodelot | Bérengère Lebental | Yu Dian Lim | Li Lynn Shiau | Boris Gusarov | Chong Wei Tan | Kun Liang | Congxiang Lu | Chuan Seng Tan | Philippe Coquet | Beng Kang Tay
Source: Carbon (article, 2018-02-16)
Field: Materials Science — Materials Chemistry

Novel three-dimensional carbon nanotube networks as high performance thermal interface materials Carbon nanotube ; Thermal conductivity ; Materials science ; Thermal conduction ; Thermal ; Thermal grease ; Composite material ; Nanotube ; Heat transfer ; Thermal diffusivity ; Nanotechnology ; Thermal transfer ; Layer (electronics) ; Thermodynamics Thermal properties of materials ; Heat Transfer and Optimization ; Nanofluid Flow and Heat Transfer
Authors: Martyna Barylak | Krzysztof Cendrowski | Ewa Mijowska
Source: Industrial & Engineering Chemistry Research (article, 2018-03-21)
Field: Chemistry — Inorganic Chemistry

Application of Carbonized Metal–Organic Framework as Efficient Adsorbent of Cationic Dye Herein, we report study about adsorption kinetics of rhodamine B onto metal organic framework containing cobalt (CoOF). The CoOF can be successfully produced from the reused waste–organic ligands and solvents. The as-prepared material was carbonized and purified prior to testing. The adsorbent was characterized with scanning electron microscopy, Fourier transform infrared spectrophotometer, X-ray diffractometer, thermogravimetric analysis, Raman spectroscope, and N2 adsorption/desorption isotherms. The kinetics of dye adsorption onto structure was examined with the UV–Vis spectrophotometer. Various physiochemical parameters such as initial dye concentration, pH of dye solution, and temperature were investigated in an adsorption technique. The adsorption uptake was found to increase with increase in initial dye concentration. An increase in adsorption capacity was noticed when the solution was changed to basic, optimum conditions obtained at pH 7. The results indicate that along with an increase in the temperature the adsorption capacities decrease. The maximum monolayer adsorption capacity of RhB onto CoOF was 72.150 mg/g. Kinetic adsorption data were analyzed using the pseudo-first-order kinetic model, the pseudo-second-order kinetic model, and the intraparticle diffusion model. The adsorption kinetics well fit using a pseudo-second-order kinetic model. The experimental data were analyzed by the Langmuir and Freundlich adsorption isotherms. Equilibrium data fit well with the Freundlich isotherm. Thermodynamic parameters such as Gibbs free energy, enthalpy and entropy were determined. It was found that the adsorptions of RhB onto CoOF was a spontaneous and exothermic physisorption. Adsorption ; Freundlich equation ; Chemistry ; Thermogravimetric analysis ; Langmuir ; Enthalpy ; Gibbs free energy ; Physisorption ; Monolayer ; Langmuir adsorption model ; Desorption ; Fourier transform infrared spectroscopy ; Analytical Chemistry (journal) ; Chemical engineering ; Physical chemistry ; Organic chemistry ; Thermodynamics Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Covalent Organic Framework Applications
Authors: R. W. Harrison
Source: Vacuum (article, 2018-11-27)
Field: Materials Science — Materials Chemistry

On the use of ion beams to emulate the neutron irradiation behaviour of tungsten Tungsten ; Divertor ; Neutron ; Materials science ; Nuclear engineering ; Irradiation ; Ion beam ; Ion ; Fusion power ; Nuclear physics ; Plasma ; Physics ; Tokamak ; Metallurgy ; Engineering Fusion materials and technologies ; Nuclear Materials and Properties ; Ion-surface interactions and analysis
Authors: Senlin Cui | Gaoyuan Ouyang | Tao Ma | Chad Macziewski | Valery I. Levitas | Lin Zhou | M. J. Kramer | Jun Cui
Source: Journal of Alloys and Compounds (article, 2018-08-31)
Field: Materials Science — Materials Chemistry

Thermodynamic and kinetic analysis of the melt spinning process of Fe-6.5 wt.% Si alloy Extrapolation ; Quenching (fluorescence) ; Thermodynamics ; Alloy ; Materials science ; Kinetic energy ; Melt spinning ; Cooling curve ; Metallurgy ; Spinning ; Composite material ; Physics Solidification and crystal growth phenomena ; Magnetic Properties and Applications ; Aluminum Alloy Microstructure Properties
Authors: Agata Światły‐Błaszkiewicz | Szymon Plewa | Jan Matysiak | Zenon J. Kokot
Source: Journal of Ovarian Research (review, 2018-10-01)
Field: Chemistry — Spectroscopy

Mass spectrometry-based proteomics techniques and their application in ovarian cancer research Ovarian cancer has emerged as one of the leading cause of gynecological malignancies. So far, the measurement of CA125 and HE4 concentrations in blood and transvaginal ultrasound examination are essential ovarian cancer diagnostic methods. However, their sensitivity and specificity are still not sufficient to detect disease at the early stage. Moreover, applied treatment may appear to be ineffective due to drug-resistance. Because of a high mortality rate of ovarian cancer, there is a pressing need to develop innovative strategies leading to a full understanding of complicated molecular pathways related to cancerogenesis. Recent studies have shown the great potential of clinical proteomics in the characterization of many diseases, including ovarian cancer. Therefore, in this review, we summarized achievements of proteomics in ovarian cancer management. Since the development of mass spectrometry has caused a breakthrough in systems biology, we decided to focus on studies based on this technique. According to PubMed engine, in the years 2008-2010 the number of studies concerning OC proteomics was increasing, and since 2010 it has reached a plateau. Proteomics as a rapidly evolving branch of science may be essential in novel biomarkers discovery, therapy decisions, progression predication, monitoring of drug response or resistance. Despite the fact that proteomics has many to offer, we also discussed some limitations occur in ovarian cancer studies. Main difficulties concern both complexity and heterogeneity of ovarian cancer and drawbacks of the mass spectrometry strategies. This review summarizes challenges, capabilities, and promises of the mass spectrometry-based proteomics techniques in ovarian cancer management. Proteomics ; Ovarian cancer ; Medicine ; Disease ; Cancer ; Bioinformatics ; Computational biology ; Internal medicine ; Biology Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Antonello Di Crescenzo | M. TIECCO | Romina Zappacosta | Simona Boncompagni | Pietro Di Profio | Valeria Ettorre | Antonella Fontana | Raimondo Germani | Gabriella Siani
Source: Journal of Molecular Liquids (article, 2018-07-17)
Field: Chemistry — Organic Chemistry

Novel zwitterionic Natural Deep Eutectic Solvents as environmentally friendly media for spontaneous self-assembly of gold nanoparticles Chemistry ; Reducing agent ; Sodium borohydride ; Environmentally friendly ; Oxalic acid ; Colloidal gold ; Deep eutectic solvent ; Nanoparticle ; Ascorbic acid ; Solvent ; Green chemistry ; Dissolution ; Salt (chemistry) ; Organic chemistry ; Eutectic system ; Nanotechnology ; Materials science ; Catalysis ; Ionic liquid Surfactants and Colloidal Systems ; Ionic liquids properties and applications ; Nanomaterials for catalytic reactions
Authors: Shan Su | Yao‐Yi Wang | Fu‐Sheng Du | Hua Lu | Zichen Li
Source: Advanced Functional Materials (article, 2018-10-10)
Field: Materials Science — Biomaterials

Dynamic Covalent Bond‐Assisted Programmed and Traceless Protein Release: High Loading Nanogel for Systemic and Cytosolic Delivery Abstract Systemic and cytosolic delivery represents a grand challenge preventing many therapeutic proteins from clinical applications. Despite tremendous progresses in the past decade, most approaches generally lack the ability of triggered traceless protein release, require complicated formulation, and/or yield low protein loading. By using the protein as a crosslinker, here, a simple and general formulation affording protein nanogels (NG) with uniformed sizes and exceptionally high protein loading (&gt;50%) is reported. By using the fine‐tuned bis‐ and monosubstituted maleamic anhydride‐amine chemistry for the crosslinking of the protein and a 4‐armed PEG‐MA 4 , the NG is implemented with a tandem pH‐programmed and traceless release character. The final NG, CDM‐MA‐NG , is stable under normal physiological conditions and effectively protects the crosslinked cargo cytochrome C from serum fouling, proteolytic and thermal degradation. In vitro, CDM‐MA‐NG exhibits a high level of cellular uptake and potent cancer cell killing only when incubated at pH 6.5, but not 7.4. Systemic administration of CDM‐MA‐NG leads to significantly inhibited tumor growth and extended survival rate. Given the abundance of the amine groups on protein surface, this work describes a universal platform for therapeutic protein formulation, and opens up enormous opportunities for the systemic, cytosolic, and traceless delivery of protein‐based nanomedicines. Cytosol ; Systemic administration ; Amine gas treating ; PEGylation ; PEG ratio ; Biophysics ; Covalent bond ; Chemistry ; Combinatorial chemistry ; Materials science ; Biochemistry ; Biology ; In vivo ; Enzyme ; Organic chemistry ; Polyethylene glycol Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Nanoplatforms for cancer theranostics
Authors: Ji Feng | Chuanbo Gao | Yadong Yin
Source: Nanoscale (article, 2018-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Stabilization of noble metal nanostructures for catalysis and sensing Noble metal nanocrystals have been widely used as active components in catalysis and chemical/bio-sensing. The sizes, structures, and shapes of noble metal nanocrystals are crucial to their electronic, optical, and catalytic properties. However, metal nanocrystals tend to lose their structural and morphological properties when they are subjected to thermal and chemical treatment. Therefore, stabilization of noble metal nanostructures remains a challenge. In this feature article, we present our recent efforts on the stabilization of noble metal nanocrystals, i.e., using inorganic and non-metal solids as supports and physical barriers, protecting the nanocrystal surface by a metal coating, and forming alloys with other metals. At the end of this review, we provide our perspectives on the future development of effective methods for nanocrystal stabilization. Noble metal ; Catalysis ; Nanotechnology ; Materials science ; Nanostructure ; Metal ; Chemistry ; Organic chemistry ; Metallurgy Gold and Silver Nanoparticles Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Copper-based nanomaterials and applications
Authors: Chun-Chih Hu | Gong‐Her Wu | Sheng-Feng Lai | Muniesh Muthaiyan Shanmugam | Y. Hwu | Oliver I. Wagner | Ta‐Jen Yen
Source: Scientific Reports (article, 2018-10-09)
Field: Materials Science — Materials Chemistry

Toxic Effects of Size-tunable Gold Nanoparticles on Caenorhabditis elegans Development and Gene Regulation We utilized size-tunable gold nanoparticles (Au NPs) to investigate the toxicogenomic responses of the model organism Caenorhabditis elegans. We demonstrated that the nematode C. elegans can uptake Au NPs coated with or without 11-mercaptoundecanoic acid (MUA), and Au NPs are detectable in worm intestines using X-ray microscopy and confocal optical microscopy. After Au NP exposure, C. elegans neurons grew shorter axons, which may have been related to the impeded worm locomotion behavior detected. Furthermore, we determined that MUA to Au ratios of 0.5, 1 and 3 reduced the worm population by more than 50% within 72 hours. In addition, these MUA to Au ratios reduced the worm body size, thrashing frequency (worm mobility) and brood size. MTT assays were employed to analyze the viability of cultured C. elegans primary neurons exposed to MUA-Au NPs. Increasing the MUA to Au ratios increasingly reduced neuronal survival. To understand how developmental changes (after MUA-Au NP treatment) are related to changes in gene expression, we employed DNA microarray assays and identified changes in gene expression (e.g., clec-174 (involved in cellular defense), cut-3 and fil-1 (both involved in body morphogenesis), dpy-14 (expressed in embryonic neurons), and mtl-1 (functions in metal detoxification and homeostasis)). Caenorhabditis elegans ; Gene ; Biology ; Colloidal gold ; Computational biology ; Nanoparticle ; Genetics ; Nanotechnology ; Materials science Nanoparticles: synthesis and applications ; Genetics, Aging, and Longevity in Model Organisms ; Graphene and Nanomaterials Applications
Authors: Marcello La Rosa | Sergey A. Denisov | Gediminas Jonušauskas | Nathan D. McClenaghan | Alberto Credi
Source: Angewandte Chemie International Edition (article, 2018-01-31)
Field: Materials Science — Materials Chemistry

Designed Long‐Lived Emission from CdSe Quantum Dots through Reversible Electronic Energy Transfer with a Surface‐Bound Chromophore The size-tunable emission of luminescent quantum dots (QDs) makes them highly interesting for applications that range from bioimaging to optoelectronics. For the same applications, engineering their luminescence lifetime, in particular, making it longer, would be as important; however, no rational approach to reach this goal is available to date. We describe a strategy to prolong the emission lifetime of QDs through electronic energy shuttling to the triplet excited state of a surface-bound molecular chromophore. To implement this idea, we made CdSe QDs of different sizes and carried out self-assembly with a pyrene derivative. We observed that the conjugates exhibit delayed luminescence, with emission decays that are prolonged by more than 3 orders of magnitude (lifetimes up to 330 μs) compared to the parent CdSe QDs. The mechanism invokes unprecedented reversible quantum dot to organic chromophore electronic energy transfer. Chromophore ; Quantum dot ; Luminescence ; Excited state ; Photochemistry ; Chemical physics ; Materials science ; Energy transfer ; Pyrene ; Nanotechnology ; Photoluminescence ; Optoelectronics ; Chemistry ; Atomic physics ; Physics Quantum Dots Synthesis And Properties ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Naseer Muhammad | Tao Fu | Qiang Liu | Xiaopin Tang | Zi‐Lan Deng | Zhengbiao Ouyang
Source: Materials (article, 2018-11-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmonic Metasurface Absorber Based on Electro-Optic Substrate for Energy Harvesting A highly efficient and broad light absorber capable of wide-angle absorption in the visible and near infrared range is presented and numerically investigated for energy harvesting in a simple geometry. According to the calculated results, the proposed device has a peak absorption level of about 99.95%. The actual absorption efficiency is 76.35%, which is approaching that of complex multilayer absorbers with 88 layers working in the wavelength range of 300 nm to 2000 nm. The electro-optic material has the potential of shifting the absorption peak position, compensating fabrication errors and thus reducing the fabrication technique difficulties. Also, the high electro-optic tunability can be used for filters, infrared detection, and imaging applications. More directly, the proposed absorber can be potentially deployed in solar cells and solar thermals. Materials science ; Fabrication ; Absorption (acoustics) ; Optoelectronics ; Plasmon ; Optics ; Substrate (aquarium) ; Ray ; Wavelength ; Infrared ; Energy harvesting ; Solar energy ; Range (aeronautics) ; Energy (signal processing) ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Energy Harvesting in Wireless Networks
Authors: Saulo Gregory Carneiro Fonseca | Laédna Souto Neiva | Maria Aparecida Ribeiro Bonifácio | Paulo Roberto Cunha dos Santos | Ubiratan C. Silva | João Bosco Lucena de Oliveira
Source: Materials Research (article, 2018-03-10)
Field: Materials Science — Materials Chemistry

Tunable Magnetic and Electrical Properties of Cobalt and Zinc Ferrites CO1-XZnXFe2O4 Synthesized by Combustion Route Co and Zn ferrites with general formula CO 1-X Zn X Fe 2 O 4 (x = 0; 0,2 and 0,8) were synthesized by combustion reaction method, using urea as fuel. The structure of inverse-spinel-type ferrite were characterized through XRD using Rietveld refinement method to identify, quantify phases and determine lattice parameters. The crystallites had mean size of 37,33 nm, 43,66 nm and 51.88 nm with the increment of Zn 2+ , respectively. Samples were sintered in a resistive oven at 900 C for 3 hours. Analysis by SEM indicated that the particles have irregular sizes and high concentration of open pores. The magnetic properties were measured using a vibrating sample magnetometer (VSM), through which a decrease in the magnetization variation was observed as the non-magnetic Zn 2+ concentration increases. The permittivity and loss tangent were determined using vector network analyzer equipment, permittivity increases with the increase of zinc concentration and the tangent loss measurements were small for all ferrites synthesized in this work. Spinel ; Materials science ; Crystallite ; Analytical Chemistry (journal) ; Nanocrystalline material ; Zinc ; Rietveld refinement ; Dissipation factor ; Cobalt ; Zinc ferrite ; Magnetization ; Lattice constant ; Permittivity ; Resistive touchscreen ; Magnetometer ; Nuclear magnetic resonance ; Crystal structure ; Dielectric ; Metallurgy ; Magnetic field ; Chemistry ; Nanotechnology ; Crystallography ; Diffraction ; Chromatography ; Optoelectronics ; Electrical engineering Magnetic Properties and Synthesis of Ferrites ; Multiferroics and related materials ; Advancements in Battery Materials
Authors: Talia B. Kimber | Sebastian Engelke | Igor V. Tetko | Eric Bruno | Guillaume Godin
Source: arXiv (Cornell University) (preprint, 2018-12-11)
Field: Materials Science — Materials Chemistry

Synergy Effect between Convolutional Neural Networks and the Multiplicity of SMILES for Improvement of Molecular Prediction In our study, we demonstrate the synergy effect between convolutional neural networks and the multiplicity of SMILES. The model we propose, the so-called Convolutional Neural Fingerprint (CNF) model, reaches the accuracy of traditional descriptors such as Dragon (Mauri et al. [22]), RDKit (Landrum [18]), CDK2 (Willighagen et al. [43]) and PyDescriptor (Masand and Rastija [20]). Moreover the CNF model generally performs better than highly fine-tuned traditional descriptors, especially on small data sets, which is of great interest for the chemical field where data sets are generally small due to experimental costs, the availability of molecules or accessibility to private databases. We evaluate the CNF model along with SMILES augmentation during both training and testing. To the best of our knowledge, this is the first time that such a methodology is presented. We show that using the multiplicity of SMILES during training acts as a regulariser and therefore avoids overfitting and can be seen as ensemble learning when considered for testing. Overfitting ; Convolutional neural network ; Computer science ; Artificial intelligence ; Machine learning ; Multiplicity (mathematics) ; Training set ; Artificial neural network ; Mathematics Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Metabolomics and Mass Spectrometry Studies