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https://www.readbyqxmd.com/read/28431460/paramagnetic-intrinsic-defects-in-polycrystalline-large-area-2d-mos2-films-grown-on-sio2-by-mo-sulfurization
#1
A Stesmans, S Iacovo, D Chiappe, I Radu, C Huyghebaert, S De Gendt, V V Afanas'ev
A low-temperature electron spin resonance study has been carried out on large-area high-purity polycrystalline two-dimensional few monolayer (ML) 2H MoS2 films synthesized by sulfurization of Mo layers, with intent to atomically assess mobility-degrading detrimental point defects. This reveals the presence of a distinct previously unreported anisotropic defect of axial symmetry about the c-axis characterized by g // = 2.00145 and g ⊥ = 2.0027, with corresponding density (spin S = ½) ~3 × 10(12) cm(-2) for a 4 ML thick film...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431459/direct-growth-of-al2o3-on-black-phosphorus-by-plasma-enhanced-atomic-layer-deposition
#2
B B Wu, H M Zheng, Y Q Ding, W J Liu, H L Lu, P Zhou, L Chen, Q Q Sun, S J Ding, David W Zhang
Growing high-quality and uniform dielectric on black phosphorus is challenging since it is easy to react with O2 or H2O in ambient. In this work, we have directly grown Al2O3 on BP using plasma-enhanced atomic layer deposition (PEALD). The surface roughness of BP with covered Al2O3 film can reduce significantly, which is due to the removal of oxidized bubble in BP surface by oxygen plasma. It was also found there is an interfacial layer of PO x in between amorphous Al2O3 film and crystallized BP, which is verified by both X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy (TEM) measurements...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28431419/creation-and-validation-of-an-automated-algorithm-to-determine-postoperative-ventilator-requirements-after-cardiac-surgery
#3
Eilon Gabel, Ira S Hofer, Nancy Satou, Tristan Grogan, Richard Shemin, Aman Mahajan, Maxime Cannesson
BACKGROUND: In medical practice today, clinical data registries have become a powerful tool for measuring and driving quality improvement, especially among multicenter projects. Registries face the known problem of trying to create dependable and clear metrics from electronic medical records data, which are typically scattered and often based on unreliable data sources. The Society for Thoracic Surgery (STS) is one such example, and it supports manually collected data by trained clinical staff in an effort to obtain the highest-fidelity data possible...
May 2017: Anesthesia and Analgesia
https://www.readbyqxmd.com/read/28431372/down-flow-fixed-structured-bed-reactor-an-innovative-reactor-configuration-applied-to-acid-mine-drainage-treatment-and-metal-recovery
#4
Leandro Augusto Gouvêa de Godoi, Eugenio Foresti, Márcia Helena Rissato Zamariolli Damianovic
A down-flow fixed-structured bed reactor (DFSBR) was operated for 277 days treating a mixture of synthetic substrates simulating an iron-rich acid mine drainage (AMD) and the soluble fraction of a sugarcane vinasse. The synthetic sugarcane vinasse was used as electron donor for biological sulfate-reduction, resulting in influent chemical oxygen demand (COD) close to 4000 mg L(-1) and volumetric organic loading rate of 4.8 g L(-1)d(-1). The influent sulfate concentration was kept close to 2000 mg L(-1) (volumetric sulfate loading rate of 2...
April 17, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28431367/clinical-characterization-of-the-pre-ictal-state-in-the-pediatric-population-a-caretaker-s-perspective
#5
Puja Patel, Victor Ferastraoaru, Dov Gold, Andrew Lipnick, Rana Jehle, Sheryl R Haut
The unpredictability of seizures causes distress to patients with epilepsy and their caretakers. To date, no studies have explored seizure prediction specifically in the pediatric population. If the period of time preceding a seizure can be reliably identified, either by child or caretaker, there may be a role for pre-emptive interventions. The aim of this study was to investigate caretaker seizure prediction. A questionnaire was distributed to caretakers of patients with epilepsy. The patients were 0-21years old and experienced ≥1 seizure within the past year...
April 18, 2017: Epilepsy & Behavior: E&B
https://www.readbyqxmd.com/read/28431359/reconstruction-of-microbial-community-structures-as-evidences-for-soil-redox-coupled-reductive-dechlorination-of-pcp-in-a-mangrove-soil
#6
Yan Xu, Yan He, Xianjin Tang, Philip C Brookes, Jianming Xu
The aim was to investigate the influence of pentachlorophenol (PCP) on the soil microbial communities and the coupled mechanism between PCP reductive dechlorination and soil redox under anaerobic condition. Accordingly, a slurry incubation experiment was carried out in which bacterial and archaeal communities were detected by MiSeq amplicon sequencing. The original microbial community balance was gradually disrupted and new microbial structure was reconstructed subsequently through self-regulation and acclimation during PCP transformation, coupling with the changes of soil biogeochemical redox dynamics...
April 18, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28431352/degradation-of-sulfamethoxazole-by-uv-uv-h2o2-and-uv-persulfate-pds-formation-of-oxidation-products-and-effect-of-bicarbonate
#7
Yi Yang, Xinglin Lu, Jin Jiang, Jun Ma, Guanqi Liu, Ying Cao, Weili Liu, Juan Li, Suyan Pang, Xiujuan Kong, Congwei Luo
The frequent detection of sulfamethoxazole (SMX) in wastewater and surface waters gives rise of concerns about their ecotoxicological effects and potential risks to induce antibacterial resistant genes. UV/hydrogen peroxide (UV/H2O2) and UV/persulfate (UV/PDS) advanced oxidation processes have been demonstrated to be effective for the elimination of SMX, but there is still a need for a deeper understanding of product formations. In this study, we identified and compared the transformation products of SMX in UV, UV/H2O2 and UV/PDS processes...
March 28, 2017: Water Research
https://www.readbyqxmd.com/read/28431336/beam-induced-back-streaming-electron-suppression-analysis-for-an-accelerator-type-neutron-generator-designed-for-40-ar-39-ar-geochronology
#8
Cory Waltz, Mauricio Ayllon, Tim Becker, Lee Bernstein, Ka-Ngo Leung, Leo Kirsch, Paul Renne, Karl Van Bibber
A facility based on a next-generation, high-flux D-D neutron generator has been commissioned and it is now operational at the University of California, Berkeley. The current generator designed for (40)Ar/(39)Ar dating of geological materials produces nearly monoenergetic 2.45MeV neutrons at outputs of 10(8)n/s. The narrow energy range is advantageous relative to the (235)U fission spectrum neutrons due to (i) reduced (39)Ar recoil energy, (ii) minimized production of interfering argon isotopes from K, Ca, and Cl, and (iii) reduced total activity for radiological safety and waste generation...
April 13, 2017: Applied Radiation and Isotopes
https://www.readbyqxmd.com/read/28431332/sperm-morphology-of-the-leafhopper-diaphorina-citri-kuwayama-hemiptera-sternorrhyncha-psylloidea-liviidae
#9
Marcelo Silva Barcellos, Jamile Fernanda Silva Cossolin, Glenda Dias, José Lino-Neto
In this study, by using light and electron microscopy, we describe the sperm morphology of the leafhopper Diaphorina citri, a serious pest of citrus throughout the world. In this species the sperm measures 538.49±8.75μm in length, and as observed in psylloids, the sperm, when manipulated, opens into two filaments, one of which is attached to the nuclear base and the other becomes free. Along the flagellum, and only of it, there are lateral projections, about 2μm in length. Furthermore, at the end of the flagellum three appendages, with approximately 7μm in length, are observed...
April 8, 2017: Micron: the International Research and Review Journal for Microscopy
https://www.readbyqxmd.com/read/28431312/melatonin-charge-transfer-complex-with-2-3-dichloro-5-6-dicyano-1-4-benzoquinone-molecular-structure-dft-studies-thermal-analyses-evaluation-of-biological-activity-and-utility-for-determination-of-melatonin-in-pure-and-dosage-forms
#10
Gehad G Mohamed, Maher M Hamed, Nadia G Zaki, Mohamed M Abdou, Marwa El-Badry Mohamed, Abanoub Mosaad Abdallah
A simple, accurate and fast spectrophotometric method for the quantitative determination of melatonin (ML) drug in its pure and pharmaceutical forms was developed based on the formation of its charge transfer complex with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as an electron acceptor. The different conditions for this method were optimized accurately. The Lambert-Beer's law was found to be valid over the concentration range of 4-100μgmL(-1) ML. The solid form of the CT complex was structurally characterized by means of different spectral methods...
April 4, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28431311/the-low-lying-electronic-states-and-optical-schemes-for-the-laser-cooling-of-the-bh-and-bh-ions
#11
Qing-Qing Zhang, Chuan-Lu Yang, Mei-Shan Wang, Xiao-Guang Ma, Wen-Wang Liu
The potential energy curves and transition dipole moments for the 1(2)Σ(+), 2(2)Σ(+), 1(2)Π and 2(2)Π electronic states of the two molecules are calculated using multi-reference configuration interaction and the large basis sets aug-cc-pwCV5Z. Based on the obtained potential energy curves, the rotational and vibrational energy levels of the states are obtained by solving the Schrödinger equation of nuclear motion, and the spectroscopic parameters are then obtained by fitting the energy levels to Dunham series expansions...
April 9, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28431285/two-benzoyl-coumarin-amide-fluorescence-chemosensors-for-cyanide-anions
#12
Zian Wang, Qianqian Wu, Jiale Li, Shuang Qiu, Duxia Cao, Yongxiao Xu, Zhiqiang Liu, Xueying Yu, Yatong Sun
Two new benzoyl coumarin amide derivatives with ortho hydroxyl benzoyl as terminal group have been synthesized. Their photophysical properties and recognition properties for cyanide anions in acetonitrile have also been examined. The influence of electron donating diethylamino group in coumarin ring and hydroxyl in benzoyl group on recognition properties was explored. The results indicate that the compounds can recognize cyanide anions with obvious absorption and fluorescence spectral change and high sensitivity...
April 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28431243/cryo-em-structure-of-the-open-human-ether-%C3%A3-go-go-related-k-channel-herg
#13
Weiwei Wang, Roderick MacKinnon
The human ether-à-go-go-related potassium channel (hERG, Kv11.1) is a voltage-dependent channel known for its role in repolarizing the cardiac action potential. hERG alteration by mutation or pharmacological inhibition produces Long QT syndrome and the lethal cardiac arrhythmia torsade de pointes. We have determined the molecular structure of hERG to 3.8 Å using cryo-electron microscopy. In this structure, the voltage sensors adopt a depolarized conformation, and the pore is open. The central cavity has an atypically small central volume surrounded by four deep hydrophobic pockets, which may explain hERG's unusual sensitivity to many drugs...
April 20, 2017: Cell
https://www.readbyqxmd.com/read/28431242/structural-and-functional-analysis-of-a-%C3%AE-2-adrenergic-receptor-complex-with-grk5
#14
Konstantin E Komolov, Yang Du, Nguyen Minh Duc, Robin M Betz, João P G L M Rodrigues, Ryan D Leib, Dhabaleswar Patra, Georgios Skiniotis, Christopher M Adams, Ron O Dror, Ka Young Chung, Brian K Kobilka, Jeffrey L Benovic
The phosphorylation of agonist-occupied G-protein-coupled receptors (GPCRs) by GPCR kinases (GRKs) functions to turn off G-protein signaling and turn on arrestin-mediated signaling. While a structural understanding of GPCR/G-protein and GPCR/arrestin complexes has emerged in recent years, the molecular architecture of a GPCR/GRK complex remains poorly defined. We used a comprehensive integrated approach of cross-linking, hydrogen-deuterium exchange mass spectrometry (MS), electron microscopy, mutagenesis, molecular dynamics simulations, and computational docking to analyze GRK5 interaction with the β2-adrenergic receptor (β2AR)...
April 20, 2017: Cell
https://www.readbyqxmd.com/read/28431217/reduced-graphene-oxide-as-an-effective-adsorbent-for-removal-of-malachite-green-dye-plausible-adsorption-pathways
#15
Kanika Gupta, Om P Khatri
Efficient removal of malachite green (MG) dye from simulated wastewater is demonstrated using high surface area reduced graphene oxide (rGO). The plausible interaction pathways between MG dye and rGO are deduced from nanostructural features (HRTEM) of rGO and spectroscopic analyses (FTIR and Raman). The high surface area (931m(2)⋅gm(-1)) of rGO, π-π interaction between the aromatic rings of MG dye and graphitic skeleton, and electrostatic interaction of cationic centre of MG dye with π-electron clouds and negatively charged residual oxygen functionalities of rGO collectively facilitate the adsorption of MG dye on the rGO...
April 12, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28431210/exotic-gill-lice-species-copepoda-lernaeopodidae-salmincola-spp-infect-rainbow-trout-oncorhynchus-mykiss-and-brook-trout-salvelinus-fontinalis-in-the-southeastern-united-states
#16
Carlos F Ruiz, Jacob M Rash, Doug A Besler, Jackson R Roberts, Micah B Warren, Cova R Arias, Stephen A Bullard
Salmincola californiensis infected 25 of 31 (prevalence 0.8; intensity 2-35 [mean 6.6 ± standard deviation 7.7; n = 25]) rainbow trout, Oncorhynchus mykiss, from a private trout farm connected to the Watauga River, North Carolina. Salmincola edwardsii infected all of 9 (1.0; 2-43 [9.3 ± 13.0; 9]) brook trout, Salvelinus fontinalis, from Big Norton Prong, a tributary of the Little Tennessee River, North Carolina. Both lernaeopodids are well-known salmonid pathogens but neither is native to, nor has been previously taxonomically confirmed from, the southeastern United States...
April 21, 2017: Journal of Parasitology
https://www.readbyqxmd.com/read/28431206/phase-transfer-ligand-exchange-of-lead-chalcogenide-quantum-dots-for-direct-deposition-of-thick-highly-conductive-films
#17
Qianglu Lin, Hyeong Jin Yun, Wenyong Liu, Hyung-Jun Song, Nikolay S Makarov, Oleksandr Isaienko, Tom Nakotte, Gen Chen, Hongmei Luo, Victor I Klimov, Jeffrey M Pietryga
The use of semiconductor nanocrystal quantum dots (QDs) in optoelectronic devices typically requires post-synthetic chemical surface treatments to enhance electronic coupling between QDs and allow for efficient charge transport in QD films. Despite their importance to solar cells, and infrared (IR) light-emitting diodes and photodetectors, advances in these chemical treatments for lead chalcogenide (PbE, E = S, Se, Te) QDs have lagged behind those of, for instance, II-VI semiconductor QDs. Here, we introduce a method for fast and effective ligand exchange for PbE QDs in solution, resulting in QDs completely passivated by a wide range of small anionic ligands...
April 21, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28431205/cyclization-of-ynamide-tethered-1-3-8-triynes
#18
Venkata R Sabbasani, Hyunjin Lee, Peipei Xie, Yuanzhi Xia, Daesung Lee
A facile thermal cyclization of ynamide-tethered 1,3,8-triynes to form 3,5,6,7-tetrahydro-1H-pyrano[3,4-c]pyridine skeleton is described. Although the mechanism of this unusual reaction is yet to be defined the formation of either a strained keteniminium or a biradical intermediate followed a 1,5-hydride or -hydrogen shift is tentatively proposed as the key elementary steps in the reaction sequence. Appropriate electronic activation at the carbon center donating a hydride or hydrogen is crucial for successful cyclization...
April 21, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28431172/quantitative-analysis-of-li-distributions-in-battery-material-li1-xfepo4-using-fe-m2-3-edge-and-valence-electron-energy-loss-spectra
#19
Shunsuke Kobayashi, Craig A J Fisher, Akihide Kuwabara, Yoshio Ukyo, Yuichi Ikuhara
The spatial distribution of Li ions in a lithium iron phosphate (Li1-xFePO4) single crystal after chemical delithiation is quantitatively investigated using Fe M2,3-edge and valence electron energy loss (EEL) spectroscopy techniques. Li contents between those of end-member compositions LiFePO4 and FePO4 are found to correspond to reproducible changes in Fe M2,3-edge and valence EEL spectra across an interface between LiFePO4 and FePO4 regions. Quantitative analysis of these changes is used to estimate the local valence states of Fe ions, from which the Li concentration in the intermediate phase can be deduced...
April 18, 2017: Microscopy
https://www.readbyqxmd.com/read/28431163/an-evaluation-of-the-human-relevance-of-the-lung-tumors-observed-in-female-mice-treated-with-permethrin-based-on-mode-of-action
#20
Tomoya Yamada, Miwa Kondo, Kaori Miyata, Keiko Ogata, Masahiko Kushida, Kayo Sumida, Satoshi Kawamura, Thomas G Osimitz, Brian G Lake, Samuel M Cohen
Permethrin increased the incidence of bronchiolo-alveolar adenomas in female mice but not male mice or female or male rats. Studies were conducted to determine whether permethrin has mitogenic activity in Club cells in mouse lung as the basis for the mode of action (MOA) for the lung adenoma induction. Several short term experiments focusing on time-course, dose-response, reversibility, sex difference, strain difference, and species difference were evaluated for Club cell proliferation and morphology. The findings demonstrated that permethrin slightly and continuously enhanced Club cell proliferation at tumor-associated dose levels in female mice, but did not increase proliferation in male mice or in female rats...
April 18, 2017: Toxicological Sciences: An Official Journal of the Society of Toxicology
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