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https://www.readbyqxmd.com/read/29169138/in-situ-fabrication-of-green-reduced-graphene-based-biocompatible-anode-for-efficient-energy-recycle
#1
Ying Cheng, Megharaj Mallavarapu, Ravi Naidu, Zuliang Chen
Improving the anode configuration to enhance biocompatibility and accelerate electron shuttling is critical for efficient energy recovery in microbial fuel cells (MFCs). In this paper, green reduced graphene nanocomposite was successfully coated using layer-by-layer assembly technique onto carbon brush anode. The modified anode achieved a 3.2-fold higher power density of 33.7 W m(-3) at a current density of 69.4 A m(-3) with a 75% shorter start period. As revealed in the characterization, the green synthesized nanocomposite film affords larger surface roughness for microbial colonization...
November 13, 2017: Chemosphere
https://www.readbyqxmd.com/read/29169059/adsorption-of-ammonia-molecules-and-humidity-on-germanane-nanosheet-a-density-functional-study
#2
V Nagarajan, A Bhattacharyya, R Chandiramouli
The structural stability and electronic properties of pristine and Ga substituted germanane nanosheet were investigated using the density functional theory technique. The stability of bare and Ga substituted germanane nanosheet is substantiated with formation energy. The energy band gap opens upon hydrogenation on germanene sheet, which is utilized as a sensor material for the detection of NH3 and H2O molecules. The interaction of ammonia and humidity on germanane nanosheet is explored using the projected density of states, Bader charge transfer, adsorption energy, average energy gap variation, energy gap and electron density...
November 20, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29168927/synergism-of-cus-and-tartaric-acid-in-the-reduction-of-cr-vi-under-an-irradiation-of-simulated-solar-light
#3
Ying Li, Cheng Chen, Yao Wu, Yijie Han, Yeqing Lan
The synergism of CuS and tartaric acid (TA) in the reduction of Cr(VI) with an irradiation of simulated solar light was investigated through observing the effects of solution pH, temperature, CuS loading, and TA concentration on the removal efficiency of Cr(VI). Approximately 32% and 54% of the initial Cr(VI) (100 µmol/L) were reduced within 180 min by TA and CuS with light, respectively. Under the same condition, however, almost a complete removal of the initial Cr(VI) was achieved within 130 min in the coexistence of CuS and TA...
November 23, 2017: Environmental Technology
https://www.readbyqxmd.com/read/29168909/in-situ-generated-ruthenium-arene-catalyst-for-photoactivated-ring-opening-metathesis-polymerization-through-photolatent-n-heterocyclic-carbene-ligand
#4
Julien Pinaud, Thi Kim Hoang Trinh, David Sauvanier, Emeline Placet, Sriprapai Songsee, Patrick Lacroix-Desmazes, Jean-Michel Becht, Bassam Tarablsi, Jacques Lalevée, Loïc Pichavant, Valérie Héroguez, Abraham Chemtob
1,3-Bis(mesityl)imidazolium tetraphenylborate (IMesH+ BPh4-) can be synthesized in one step by anion metathesis between the corresponding imidazolium chloride and sodium tetraphenylborate. In the presence of 2-isopropylthioxanthone (sensitizer), IMes N-heterocyclic carbene (NHC) ligand can be photogenerated under irradiation at 365 nm through coupled electron/proton transfer reactions. By combining this tandem NHC photogenerator system with metathesis inactive [RuCl2(p-cymene)]2 precatalyst, the highly active RuCl2(p-cymene)(IMes) complex can be formed in situ, enabling a complete ring-opening metathesis polymerization (ROMP) of norbornene in the matter of minutes at room temperature...
November 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29168844/plasmonic-and-photo-electrochemical-enhancements-of-the-auag-au-rgo-c3n4-nanocomposite-for-the-detection-of-da
#5
Jin Wang, Hui Xu, Shumin Li, Bo Yan, Yuting Shi, Caiqin Wang, Yukou Du
Plasmonic photocatalyst has attracted significant attention due to its valuable theoretical study and promising practical applications in solar cells, functional composites, and sensors. Herein, an interesting RGO-C3N4-supported AuAg core-Au shell (AuAg@Au) nanocomposite has been reported. Due to the surface plasmon resonance (SPR) of AuAg@Au and the accelarated electron transfer and separation of charge carriers induced by the fascinating RGO-C3N4 substrate, the newly-generated AuAg@Au/RGO-C3N4 nanomaterials show a strong photo-electrochemical response under visible-light irradiation...
November 23, 2017: Analyst
https://www.readbyqxmd.com/read/29168620/simple-organic-salts-having-naphthalenediimide-ndi-core-displaying-multi-functional-properties-gelation-anti-cancer-and-semiconducting-properties
#6
Parthasarathi Dastidar, Rumana Parveen, Nabasmita Maity
Following a supramolecular synthon rationale a dicarboxylic acid derivative having naphthalenediimide (NDI) core namely bis-N-carboxymethyl naphthalenediimide (NDI-A) was reacted with n-alkyl amines having varying alkyl chain length to generate a new series of primary ammonium dicarboxylate (PAD) salts. Majority of the salts (~85%) were found to gel various polar solvents. The gels were characterized by dynamic rheology and high resolution electron microscopy. Single crystal and powder X-ray diffraction were employed to study the supramolecular synthon present in one of the gelator salts namely S8...
November 23, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29168241/can-a-child-and-family-health-service-improve-early-childhood-health-outcomes-in-an-urban-aboriginal-community
#7
Jessica Freeman, Elisabeth Murphy, Susan Woolfenden, Edward Waters, Jennifer Winters, Lola Callaghan, Karen Zwi
AIMS: To describe the engagement of a cohort of urban Aboriginal families with an Early Childhood Health Service, and to assess any association of engagement with the service with screening by the Edinburgh Post-Natal Depression Scale (EPDS), full breastfeeding rates and post-natal smoking status. METHODS: Routine electronic medical record data collected by a Child and Family Health Nurse between 2011 and 2014 was analysed retrospectively. Associations between use of the service and acceptance of EPDS, breastfeeding rates and post-natal smoking status were determined using binary and multinomial multiple logistic regression analyses...
November 23, 2017: Journal of Paediatrics and Child Health
https://www.readbyqxmd.com/read/29167989/tcne-modified-graphene-as-an-adsorbent-for-n2o-molecule-a-dft-study
#8
Somayeh F Rastegar, Noushin Osouleddini
Adsorption behavior of nitrous oxide (N2O) on pristine graphene (PG) and tetracyanoethylene (TCNE) modified PG surfaces is investigated using density functional theory. A number of initial adsorbate geometries are considered on both surfaces and the most stable ones are chosen upon calculation of the adsorption energies (Eads). N2O is found to adsorb in a weakly exoergic process (Eads ∼ -3.18 kJ mol(-1)) at the equilibrium distance of 3.52 Å on the PG surface. N2O adsorption can be greatly enhanced with the presence of a TCNE molecule (Eads = -87...
November 22, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29167852/a-novel-thermo-responsive-supramolecular-organogel-based-on-dual-acylhydrazone-fluorescent-detection-for-al-3-ions
#9
Xinxian Ma, Shiwei Liu, Zhifeng Zhang, Yanbing Niu, Jincai Wu
A new dual acylhydrazone-functionalized gelator (L) has been synthesized, which behaves as a thermal-responsive supramolecular organogel (L-gel) in DMSO. This L-gel exhibits very weak fluorescence based on the photoinduced electron transfer (PET) mechanism. The L-gel can recognize Al(3+) and assemble into an enhanced blue-light-emitting supramolecular metallogel (Al@gel).
November 23, 2017: Soft Matter
https://www.readbyqxmd.com/read/29167549/highly-001-textured-p-type-wse2-thin-films-as-efficient-large-area-photocathodes-for-solar-hydrogen-evolution
#10
Farabi Bozheyev, Karsten Harbauer, Klaus Ellmer
Highly (001)-textured, photoactive WSe2 thin films have been prepared by an amorphous solid-liquid-crystalline solid process promoted by palladium. By increasing the thickness of the Pd promoter film (≥10 nm) the structure and texture of the WSe2 films can be improved significantly. However, these as-crystallized WSe2 films are only weakly photoactive in a 0.5 М H2SO4 electrolyte under AM 1.5 solar irradiation which we attribute to an inefficient photogenerated charge transfer across the WSe2/electrolyte interface via the prevailing van der Waals planes of the WSe2 crystallites...
November 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29167496/temporal-depolarization-of-mitochondria-during-m-phase
#11
Kotoe Hirusaki, Kaho Yokoyama, Kyunghak Cho, Yoshihiro Ohta
Mitochondrial activity in cells must be tightly controlled in response to changes in intracellular circumstances. Despite drastic changes in intracellular conditions and mitochondrial morphology, it is not clear how mitochondrial activity is controlled during M phase of the cell cycle. Here, we show that mitochondrial activity is drastically changed during M phase. Mitochondrial membrane potential changed during M phase progression. Mitochondria were polarized until metaphase to the same extent as mitochondria in interphase cells, but were depolarized at around telophase and cytokinesis...
November 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29167431/fabrication-and-verification-of-conjugated-aunp-antibody-nanoprobe-for-sensitivity-improvement-in-electrochemical-biosensors
#12
Patricia Khashayar, Ghassem Amoabediny, Bagher Larijani, Morteza Hosseini, Jan Vanfleteren
This study was designed to obtain covalently coupled conjugates as means for achieving higher stability and better coverage of the AuNPs by antibodies on the particle surface suitable for sensor performance enhancement. Starting by using a modified protocol, colloid gold solution, with mean AuNP core size of ~6 nm was synthesized. The protocol used for conjugation of AuNPs to osteocalcin antibody in this study relies on covalent and electrostatic attractions between constituents. Varieties of conjugates with varying combinations of crosslinkers and different concentrations were successfully synthesized...
November 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29167346/glycine-zipper-motifs-in-hepatitis-c-virus-nonstructural-protein-4b-are-required-for-the-establishment-of-viral-replication-organelles
#13
David Paul, Vanesa Madan, Omar Ramirez, Maja Bencun, Ina Karen Stoeck, Vlastimil Jirasko, Ralf Bartenschlager
Hepatitis C virus (HCV) RNA replication occurs in tight association with remodeled host cell membranes, presenting as cytoplasmic accumulations of single, double and multi membrane vesicles in infected cells. Formation of these so-called replication organelles is mediated by a complex interplay of host cell factors and viral replicase proteins. Of these, nonstructural protein 4B (NS4B), an integral transmembrane protein, appears to play a key role, but little is known about the molecular mechanisms how this protein contributes to organelle biogenesis...
November 22, 2017: Journal of Virology
https://www.readbyqxmd.com/read/29167089/predicting-unplanned-transfers-to-the-intensive-care-unit-a-machine-learning-approach-leveraging-diverse-clinical-elements
#14
Ben Wellner, Joan Grand, Elizabeth Canzone, Matt Coarr, Patrick W Brady, Jeffrey Simmons, Eric Kirkendall, Nathan Dean, Monica Kleinman, Peter Sylvester
BACKGROUND: Early warning scores aid in the detection of pediatric clinical deteriorations but include limited data inputs, rarely include data trends over time, and have limited validation. OBJECTIVE: Machine learning methods that make use of large numbers of predictor variables are now commonplace. This work examines how different types of predictor variables derived from the electronic health record affect the performance of predicting unplanned transfers to the intensive care unit (ICU) at three large children's hospitals...
November 22, 2017: JMIR Medical Informatics
https://www.readbyqxmd.com/read/29166115/resonant-electron-attachment-to-mixed-hydrogen-oxygen-and-deuterium-oxygen-clusters
#15
Michael Renzler, Lorenz Kranabetter, Erik Barwa, Lukas Grubwieser, Paul Scheier, Andrew M Ellis
Low energy electron attachment to mixed (H2)x/(O2)y clusters and their deuterated analogs has been investigated for the first time. These experiments were carried out using liquid helium nanodroplets to form the clusters, and the effect of the added electron was then monitored via mass spectrometry. There are some important differences between electron attachment to the pure clusters and to the mixed clusters. A particularly notable feature is the formation of HO2(-) and H2O(-) ions from an electron-induced chemical reaction between the two dopants...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166106/nodeless-vibrational-amplitudes-and-quantum-nonadiabatic-dynamics-in-the-nested-funnel-for-a-pseudo-jahn-teller-molecule-or-homodimer
#16
William K Peters, Vivek Tiwari, David M Jonas
The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166105/electrode-reactions-in-slowly-relaxing-media
#17
Dmitry V Matyushov, Marshall D Newton
Standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate pre-exponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics)...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166101/self-consistency-of-electron-thf-cross-sections-using-electron-swarm-techniques
#18
M J E Casey, J de Urquijo, L N Serkovic Loli, D G Cocks, G J Boyle, D B Jones, M J Brunger, R D White
The drift velocity and first Townsend ionization coefficient of electrons in gaseous tetrahydrofuran are measured over the range of reduced electric fields 4-1000 Td using a pulsed-Townsend technique. The measured drift velocities and Townsend ionization coefficients are subsequently used, in conjunction with a multi-term Boltzmann equation analysis, as a further discriminative assessment on the accuracy and completeness of a recently proposed set of electron-THF vapor cross sections. In addition, the sensitivity of the transport coefficients to uncertainties in the existing cross sections is presented...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166090/analytical-expression-for-the-tunnel-current-through-the-redox-mediated-tunneling-contact-in-the-case-of-the-adiabatic-electron-transfer-at-one-of-the-working-electrodes-and-any-possible-type-of-the-electron-transfer-at-the-other-electrode
#19
Igor G Medvedev
We study the tunnel current through a one-level redox molecule immersed into the electrolyte solution for the case when the coupling of the molecule to one of the working electrodes is strong while it is arbitrary to the other electrode. Using the Feynman-Vernon influence functional theory and the perturbation expansion of the effective action of the classical oscillator coupled both to the valence level of the redox molecule and to the thermal bath representing the classical fluctuations of the polarization of the solvent, we obtain, following the canonical way, the Langevin equation for the oscillator...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29165931/remarkable-differences-in-spin-couplings-for-various-self-paired-dimers-of-ring-expansion-radicalized-uracil-a-basis-for-the-design-of-magnetic-anisotropic-assembly
#20
Peiwen Zhao, Yuxiang Bu
In this work, we examine the spin coupling properties of ten radicalized uracil (rU) dimers with different H-bonding modes. Each rU has four double-H-bonding sites (2 at the Watson-Crick face, WC1 and WC2; a Hoogsteen site, HO; a minor groove site, MI) and self pairing leads to 10 dimers (rU-rU) featuring diradicals. All these diradicals exhibit distinctly different spin coupling characters (ferromagnetic/FM versus antiferromagnetic/AFM and large versus small magnitude spin couplings), indicating remarkable magnetic coupling anisotropy of rU...
November 22, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
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