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Multivariate calibration for carbon nanotubes in the environment using the microwave induced heating method

Environmental Nanotechnology, Monitoring and Management 2019年 11卷 1-100204页

作者： He, Yang Al-Abed, Souhail R. Dionysiou, Dionysios D. Environmental Engineering and Science Program Department of Chemical and Environmental Engineering University of Cincinnati 2600 Clifton Ave. Cincinnati 45221 OH United States National Risk Management Research Laboratory U.S. Environmental Protection Agency 26 W. Martin Luther King Dr. Cincinnati 45268 OH United States

With continuous increase in production and application of various types of carbon nanotubes (CNTs), the presence of a mixture of different types of CNTs in the environment cannot be neglected. Since distinct types of CNTs have different influences on environmental and human health, the environmental quantification of each type of CNTs has become a critical step in all CNTs-related studies. However, most of existing quantification methods have not been implemented to determine mass/concentration of individual type of CNTs in multi-component samples. Therefore, the goal of the present paper is to develop Chemometrics-based multivariate calibration approaches for simultaneously quantifying individual type of CNTs in the environment with the microwave induced temperature rise spectra. Motivated by successful applications of partial least square regression (PLS), least square-support vector machine (LS-SVM) and artificial neural networks (ANN) in measuring specific contaminants in mixtures, the potential of applying these techniques in predicting quantities of Single-walled CNTs, Multi-walled CNTs and carboxylate Multi-walled CNTs in environmental matrices (agricultural soil and anaerobic sludge) was investigated in this study. Our results revealed that the developed LS-SVM model presented high R² and low root mean square error of prediction (RMSEP) in both 2-component and 3-component matrices, while the resulted ANN model was only accurate in the 2-component matrix. The PLS model was found to be ineffective in interpreting relationship between the microwave induced temperature rises and mass of CNTs as indicated by small R² and large RMSEP. © 2018

关键词： Artificial neural network Carbon nanotubes Environmental quantification Least square-support vector machine Partial least square regression

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Two-gap and three-gap superconductivity in AlB2-based films

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Physical Review B 2019年第9期100卷 094516-094516页

作者： Yinchang Zhao Chao Lian Shuming Zeng Zhenhong Dai Sheng Meng Jun Ni Department of Physics Yantai University Yantai 264005 People's Republic of China Materials Science and Engineering Program University of California-Riverside Riverside California 92521 USA Department of Chemical and Environmental Engineering University of California-Riverside Riverside California 92521 USA State Key Laboratory of Low-Dimensional Quantum Physics Department of Physics Tsinghua University Beijing 100084 People's Republic of China Beijing National Laboratory for Condensed Matter Physics and Institute of Physics Chinese Academy of Sciences Beijing 100190 Peoples Republic of China Collaborative Innovation Center of Quantum Matter Beijing 100084 People's Republic of China

In contrast to MgB2 superconducting at 39K, the isostructural AlB2 has no superconductivity due to the absence of metallization driven by the covalent state of boron in MgB2. In this paper, we investigate from first principles the superconducting behavior in ultrathin limit of AlB2, and reveal a two-gap superconducting nature with transition temperatures Tcs in the range of 17−26.5K. Our results indicate that the superconductivity in AlB2 films originates mainly from the surface-boron-plane-driven covalent state which crosses the Fermi level because of the quantum confinement. Therefore, the hyperstoichiometric AlB2+x films with the surface boron layer existing on each side of the systems also promise admirable superconductivity. In particular, a high Tc∼47K with an exciting three-gap nature is captured in the thinnest AlB2+x films that possess a stoichiometry of AlB4 and a sandwich configuration of B2−Al−B2. In addition, the effect of external strain on superconducting behavior in the thinnest AlB2 film and sandwich AlB4 film is also involved, which shows that a small compressive strain can further boost the Tcs in both films and a three-gap nature can be also observed in the thinnest AlB2 film under a biaxial tensile strain of 2.0%−2.5%. These findings pave the way not only for study of superconductivity in AlB2-based materials but also the search for multigap superconductors.

关键词： Multiband superconductivity Superconducting gap Superconductivity

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Sulfate radical oxidation of aromatic contaminants: A detailed assessment of density functional theory and high-level quantum chemical methods

arXiv

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arXiv 2018年

作者： Pari, Sangavi Wang, Inger A. Liu, Haizhou Wong, Bryan M. Department of Chemical & Environmental Engineering University of California-Riverside RiversideCA United States Materials Science & Engineering Program University of California-Riverside RiversideCA United States

Advanced oxidation processes that utilize highly oxidative radicals are widely used in water reuse treatment. In recent years, the application of sulfate radical (SO4•-) as a promising oxidant for water treatment has gained increasing attention. To understand the efficiency of SO4•- in the degradation of organic contaminants in wastewater effluent, it is important to be able to predict the reaction kinetics of various SO4•--driven oxidation reactions. In this study, we utilize density functional theory (DFT) and high-level wavefunction-based methods (including computationally-intensive coupled cluster methods), to explore the activation energies and kinetic rates of SO4•--driven oxidation reactions on a series of benzene-derived contaminants. These high-level calculations encompassed a wide set of reactions including 110 forward/reverse reactions and 5 different computational methods in total. Based on the high-level coupled-cluster quantum calculations, we find that the popular M06-2X DFT functional is significantly more accurate for HO- additions than for SO4•- reactions. Most importantly, we highlight some of the limitations and deficiencies of other computational methods, and we recommend the use of high-level quantum calculations to spot-check environmental chemistry reactions that may lie outside the training set of the M06-2X functional, particularly for water oxidation reactions that involve SO4•- and other inorganic species. Copyright © 2018, The Authors. All rights reserved.

关键词： Sulfur compounds

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Understanding of the capacity Contribution of carbon in phosphorus-carbon composites for high-performance anodes in lithium ion batteries

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Nano Research 2017年第4期10卷 1268-1281页

作者： Jiantie Xu In-Yup Jeon Jianmin Ma Yuhai Dou Seok-Jin Kim Jeong-Min Seo Huakun Liu Shixue Dou Jong-Beom Baek Liming Dai Institute for Superconducting and Electronic Materials University of Wollongong Wollongong NSW 2522 Austrafia School of Energy and Chemical Engineering/Low-Dimensional Carbon Materials Center Ulsan National Institute of Science and Technology (UNIST) UNIST-gi150 Ulsan 689-897 Republic of Korea Department of Macromolecular Science and Engineering Case Western Reserve University Cleveland OH 44106 USA

Phosphorus has recently received extensive attention as a promising anode for lithium ion batteries （LIBs） due to its high theoretical capacity of 2,596 mAh·g^-1. To develop high-performance phosphorus anodes for LIBs, carbon materials have been hybridized with phosphorus （P-C） to improve dispersion and con- ductivity. However, the specific capacity, rate capability, and cycling stability of P-C anodes are still less than satisfactory for practical applications. Furthermore, the exact effects of the carbon support on the electrochemical performance of the P-C anodes are not fully understood. Herein, a series of xP-yC anode materials for LIBs were prepared by a simple and efficient ball-milling method. 6P-4C and 3P-7C were found to be optimum mass ratios of x/y, and delivered initial discharge capacities of 1,803.5 and 1,585.3-mAh·g^-1, respectively, at 0.1 C in the voltage range 0.02-2 V, with an initial capacity retention of 68.3% over 200 cycles （more than 4 months cycling life） and 40.8% over 450 cycles. The excellent electrochemical performance of the 6P-4C and 3P-7C samples was attributed to a synergistic effect from both the adsorbed P and carbon.

关键词： phosphorus carbon synergistic effect anode lithium ion batteries

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Wide area profiling of neuronal function using Hadamard microscopy

Wide area profiling of neuronal function using Hadamard micr...

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Optics and the Brain, BRAIN 2018

作者： Parot, Vicente J. Farhi, Samouil L. Grama, Abhinav Yamagata, Masahito Abdelfattah, Ahmed Adam, Yoav Lou, Shan Kim, Jeong Jun Campbell, Robert E. Cox, David D. Cohen, Adam E. Biophysics Program Harvard University United States Division of Health Science and Technology Massachusetts Institute of Technology United States Chemical Biology Program Harvard University United States Department of Molecular and Cellular Biology Harvard University United States Center for Brain Science Harvard University United States Department of Chemistry University of Alberta Canada Department of Chemistry and Chemical Biology Harvard University United States J.A. Paulson School of Engineering and Applied Sciences United States Department of Physics Harvard University United States Howard Hughes Medical Institute United States

Fluorescence background and light scattering impede all-optical mapping of neural function in intact tissue. Hadamard microscopy enabled simultaneous optogenetic stimulation and fluorescence recording of Ca2+ response... 详细信息

ISBN: (纸本)9781943580415

关键词： Fluorescence

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Integration of Solar Energy Supply on the Smart Home Micro Grid to Support Efficient Electricity and Green Environment

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IOP Conference Series: Earth and Environmental science 2019年第1期239卷

作者： Purwanto Hermawan Suherman Doctoral Program of Environmental Science School of Postgraduates Studies Diponegoro University Indonesia Department of Chemical Engineering Faculty of Engineering Diponegoro University Indonesia Department of Electrical Engineering Faculty of Engineering Diponegoro University Indonesia

The development and utilization of renewable energy sources usually requires a complicated process and often still needs the support from fossil energy sources, so that a system that integrate both energy sources must be developed. Smart grid is a modern electricity network infrastructure with the ability to integrate alternative (nuclear, geothermal) and renewable energy sources (wind, water, air, diesel, etc.) and the ability to improve reliability, efficiency and security through automatic control and use of modern communication technology. Therefore the Smart Grid implementation will provide greater benefits because the number of renewable and integrated and integrated storage units increases, efficiency increases, operational costs decrease, reliability increases and CO2 emissions decrease. The implementation of the smart grid in the micro scale in this study is for the fulfilment of household electricity needs. The solar power as a renewable energy sources will be integrated to the smart grids so that households can become independent in providing electricity and not dependent on the state electricity company and also reduce monthly electricity costs. This study will discuss the integrating energy supply on the smart home micro grid.

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Correction: Bionanocomposites comprising mesoporous metal organic framework (ZIF-8) phytofabricated with Allium sativum as alternative nanomaterials to combat antimicrobial drug resistance

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Bioprocess and biosystems engineering 2024年第8期47卷 1345页

作者： Suriya Rehman Ghadi Albhishiri Zainab Alsalem Suhailah S AlJameel Ayman Al-Qaaneh Aarif Hussain Shah Sultan Akhtar Saif Hameed B Rabindran Jermy Department of Epidemic Diseases Research Institute for Research and Medical Consultations (IRMC) Imam Abdulrahman Bin Faisal University P.O. Box 1982 31441 Dammam Saudi Arabia. surrehman@iau.edu.sa. Department of Epidemic Diseases Research Institute for Research and Medical Consultations (IRMC) Imam Abdulrahman Bin Faisal University P.O. Box 1982 31441 Dammam Saudi Arabia. Mawhiba Enrichment Program 2022 Institute for Research and Medical Consultation (IRMC) Imam Abdulrahman Bin Faisal University Dammam Saudi Arabia. Department of Chemistry College of Science Imam Abdulrahman Bin Faisal University P.O. Box 1982 31441 Dammam Saudi Arabia. Department of Allied Health Sciences Al-Balqa Applied University (BAU) Al-Salt 19117 Jordan. Department of Chemical Engineering National Institute of Technology Srinagar India. Narcotics Division Forensic Science Laboratory Jammu & Kashmir 190018 India. Department of Biophysics Institute for Research and Medical Consultations (IRMC) Imam Abdulrahman Bin Faisal University P.O. Box 1982 31441 Dammam Saudi Arabia. Amity Institute of Biotechnology Amity University Haryana Manesar Gurugram-122413 India. Department of Nanotechnology Research Institute for Research and Medical Consultations (IRMC) Imam Abdulrahman Bin Faisal University P.O. Box 1982 31441 Dammam Saudi Arabia.

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Cancer Therapy: Adipocyte-Derived Anticancer Lipid Droplets (Adv. Mater. 26/2021)

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Advanced Materials 2021年第26期33卷

作者： Tingxizi Liang Di Wen Guojun Chen Amanda Chan Zhaowei Chen Hongjun Li Zejun Wang Xiao Han Liping Jiang Jun-Jie Zhu Zhen Gu Department of Bioengineering University of California Los Angeles Los Angeles CA 90095 USA State Key Laboratory of Analytical Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences School of Chemistry & Chemical Engineering Nanjing University Nanjing 210023 China Jonsson Comprehensive Cancer Center California NanoSystems Institute Los Angeles CA 90095 USA College of Pharmaceutical Sciences Zhejiang University Hangzhou 310058 China Zhejiang Laboratory of Systems & Precision Medicine Zhejiang University Medical Center Hangzhou 311121 China Department of General Surgery Sir Run Run Shaw Hospital School of Medicine Zhejiang University Hangzhou 310016 China MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou 310027 China

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Strong disorder leads to scale invariance in complex biological systems

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Physical Review E 2018年第6期97卷 062410-062410页

作者： Stella Stylianidou Thomas J. Lampo Andrew J. Spakowitz Paul A. Wiggins Departments Physics Bioengineering and Microbiology University of Washington Seattle Washington 98195 USA Department of Chemical Engineering Applied Physics Materials Science and Biophysics Program Stanford University Stanford California 94305 USA

Despite the innate complexity of the cell, emergent scale-invariant behavior is observed in many biological systems. We investigate one example of this phenomenon: the dynamics of large complexes in the bacterial cytoplasm. The observed dynamics of these complexes is scale invariant in three measures of dynamics: mean-squared displacement (MSD), velocity autocorrelation function, and the step-size distribution. To investigate the physical mechanism for this emergent scale invariance, we explore minimal models in which mobility is modeled as diffusion on a rough free-energy landscape in one dimension. We discover that all three scale-invariant characteristics emerge generically in the strong disorder limit. (Strong disorder is defined by the divergence of the ensemble-averaged hop time between lattice sites.) In particular, we demonstrate how the scale invariance of the relative step-size distribution can be understood from the perspective of extreme-value theory in statistics (EVT). We show that the Gumbel scale parameter is simply related to the MSD scaling parameter. The EVT mechanism of scale invariance is expected to be generic to strongly disordered systems and therefore a powerful tool for the analysis of other systems in biology and beyond.

关键词： Brownian motion Diffusion Random walks Viscoelasticity

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Front Cover: Photosystem I Multilayers within Porous Indium Tin Oxide Cathodes Enhance Mediated Electron Transfer (ChemElectroChem 3/2020)

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ChemElectroChem 2020年第3期7卷 581-581页

作者： Kody D. Wolfe Dilek Dervishogullari Christopher D. Stachurski Joshua M. Passantino Dr. G. Kane Jennings Dr. David E. Cliffel Interdisciplinary Materials Science Program Vanderbilt University Nashville Tennessee 37235-1822 United States Department of Chemistry Vanderbilt University Nashville Tennessee 37235-1822 United States Department of Chemical and Biomolecular Engineering Vanderbilt University Nashville Tennessee 37235-1822 United States

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