keyword
MENU ▼
Read by QxMD icon Read
search

transfer of accountability

keyword
https://www.readbyqxmd.com/read/28733882/prediction-of-the-lowest-charge-transfer-excited-state-energy-at-the-donor-acceptor-interface-in-a-condensed-phase-using-ground-state-dft-calculations-with-generalized-kohn-sham-functionals
#1
Shaohui Zheng, Mengyue Xiao, Yongping Tian, Xue Chen
Knowledge of the charge (electron) transfer process at the donor-acceptor interface is required to understand the working mechanisms of different organic photovoltaic materials. Investigating the lowest charge-transfer state in organic donor-acceptor solar cells is important as it allows the destruction/formation of excitons and polarons to be studied, and is directly related to the open circuit voltage. By performing low-cost and feasible calculations of ground-state electronic structures using the Mulliken rule as well as the optimally tuned range-separated hybrid (OTRSH) density functional and a regular long-range corrected functional, the lowest charge-transfer (CT) state energies of a series of dimers containing functionalized anthracene (the donor) and tetracyanoethylene (the acceptor) were obtained...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28731691/singlet-oxygen-photophysics-in-liquid-solvents-converging-on-a-unified-picture
#2
Mikkel Bregnhøj, Michael Westberg, Boris F Minaev, Peter R Ogilby
Singlet oxygen, O2(a(1)Δg), the lowest excited electronic state of molecular oxygen, is an omnipresent part of life on earth. It is readily formed through a variety of chemical and photochemical processes, and its unique reactions are important not just as a tool in chemical syntheses but also in processes that range from polymer degradation to signaling in biological cells. For these reasons, O2(a(1)Δg) has been the subject of intense activity in a broad distribution of scientific fields for the past ∼50 years...
July 21, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28729959/shot-gun-proteome-and-transcriptome-mapping-of-the-jujube-floral-organ-and-identification-of-a-pollen-specific-s-locus-f-box-gene
#3
Ruihong Chen, Guoliang Chen, Jian Huang
The flower is a plant reproductive organ that forms part of the fruit produced as the flowering season ends. While the number and identity of proteins expressed in a jujube (Ziziphus jujuba Mill.) flower is currently unknown, integrative proteomic and transcriptomic analyses provide a systematic strategy of characterizing the floral biology of plants. We conducted a shotgun proteomic analysis on jujube flowers by using a filter-aided sample preparation tryptic digestion, followed by liquid chromatography-tandem mass spectrometry (LC-MS/MS)...
2017: PeerJ
https://www.readbyqxmd.com/read/28728788/emission-characteristics-and-variation-of-volatile-odorous-compounds-in-the-initial-decomposition-stage-of-municipal-solid-waste
#4
Haobo Tan, Yan Zhao, Yue Ling, Ying Wang, Xuemei Wang
The odour pollution occurring in the initial decomposition stage of municipal solid waste (MSW), including collection, transfer and transportation, has not been sufficiently emphasised. Thus the emission characteristics of and variation in odorant generation in this stage were investigated through simulation experiments at different temperatures, waste composition and processing durations. Out of 120 odorous compounds, 52 were detected in seven categories under all tested conditions, with significant variations...
July 17, 2017: Waste Management
https://www.readbyqxmd.com/read/28726931/electron-transfer-reactions-of-halogenated-electrophiles-a-different-look-into-the-nature-of-halogen-bonding
#5
Sergiy V Rosokha
The rates of oxidation of ferrocene derivatives by brominated molecules R-Br (CBr3CN, CBr4, CBr3NO2, CBr3COCBr3, CBr3CONH2, CBr3F, and CBr3H) were consistent with the predictions of the outer-sphere dissociative electron-transfer theory. The similar redox-reactions of the R-Br electrophiles with the typical halogen-bond acceptors tetramethyl-p-phenylenediamine (TMPD) or iodide were much faster than calculated using the same model. The fast redox-processes in these systems were related to the involvement of the transient halogen-bonded [R-Br, TMPD] or [R-Br, I(-)] complexes in which barriers for electron transfer were lowered by the strong electronic coupling of reactants...
July 20, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28721673/gas-flow-in-the-capillary-of-the-atmosphere-to-vacuum-interface-of-mass-spectrometers
#6
Michael Skoblin, Alexey Chudinov, Ilia Soulimenkov, Vladimir Brusov, Viacheslav Kozlovskiy
Numerical simulations of a gas flow through a capillary being a part of mass spectrometer atmospheric interface were performed using a detailed laminar flow model. The simulated interface consisted of atmospheric and forevacuum volumes connected via a thin capillary. The pressure in the forevacuum volume where the gas was expanding after passing through the capillary was varied in the wide range from 10 to 900 mbar in order to study the volume flow rate as well as the other flow parameters as functions of the pressure drop between the atmospheric and forevacuum volumes...
July 18, 2017: Journal of the American Society for Mass Spectrometry
https://www.readbyqxmd.com/read/28721472/a-model-for-transfer-of-p-glycoproteins-in-mcf-7-breast-cancer-cell-line-with-multiple-transfer-rules
#7
P Magal, A Noussair, J Pasquier, P Zongo, F Le Foll
In this paper, we consider a direct protein transfer process between cells in co-culture. Assuming that cells continually encounter each other, and from some hypotheses on cell-to-cell rules of transfer, we derive discrete and continuous Boltzmann-like integro-differential equations. The novelty of this model is to take into account multiple transfer rules. This new transfer model is used to fit the experimental data of cell-to-cell protein transfer in breast cancer.
July 18, 2017: Bulletin of Mathematical Biology
https://www.readbyqxmd.com/read/28721458/a-functional-compartmental-model-of-the-synechocystis-pcc-6803-phycobilisome
#8
Ivo H M van Stokkum, Michal Gwizdala, Lijin Tian, Joris J Snellenburg, Rienk van Grondelle, Herbert van Amerongen, Rudi Berera
In the light-harvesting antenna of the Synechocystis PCC 6803 phycobilisome (PB), the core consists of three cylinders, each composed of four disks, whereas each of the six rods consists of up to three hexamers (Arteni et al., Biochim Biophys Acta 1787(4):272-279, 2009). The rods and core contain phycocyanin and allophycocyanin pigments, respectively. Together these pigments absorb light between 400 and 650 nm. Time-resolved difference absorption spectra from wild-type PB and rod mutants have been measured in different quenching and annihilation conditions...
July 18, 2017: Photosynthesis Research
https://www.readbyqxmd.com/read/28721404/accurate-determination-of-the-charge-transfer-efficiency-of-photoanodes-for-solar-water-splitting
#9
Dino Klotz, Daniel A Grave, Avner Rothschild
The oxygen evolution reaction (OER) at the surface of semiconductor photoanodes is critical for photoelectrochemical water splitting. This reaction involves photo-generated holes that oxidize water via charge transfer at the photoanode/electrolyte interface. However, a certain fraction of the holes that reach the surface recombine with electrons from the conduction band, giving rise to the surface recombination loss. The charge transfer efficiency, ηt, defined as the ratio between the flux of holes that contribute to the water oxidation reaction and the total flux of holes that reach the surface, is an important parameter that helps to distinguish between bulk and surface recombination losses...
July 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28717381/patterns-and-dynamics-of-neutral-lipid-fatty-acids-in-ants-implications-for-ecological-studies
#10
Félix B Rosumek, Adrian Brückner, Nico Blüthgen, Florian Menzel, Michael Heethoff
BACKGROUND: Trophic interactions are a fundamental aspect of ecosystem functioning, but often difficult to observe directly. Several indirect techniques, such as fatty acid analysis, were developed to assess these interactions. Fatty acid profiles may indicate dietary differences, while individual fatty acids can be used as biomarkers. Ants are among the most important terrestrial animal groups, but little is known about their lipid metabolism, and no study so far used fatty acids to study their trophic ecology...
2017: Frontiers in Zoology
https://www.readbyqxmd.com/read/28711738/phase-properties-of-transcranial-electrical-stimulation-artifacts-in-electrophysiological-recordings
#11
Nima Noury, Markus Siegel
Monitoring brain activity during transcranial electric stimulation (tES) is an attractive approach for causally studying healthy and diseased brain activity. Yet, stimulation artifacts complicate electrophysiological recordings during tES. Design and evaluation of artifact removal methods require a through characterization of artifact features, i.e. characterization of the transfer function that defines the relationship between the tES stimulation current and tES artifacts. Here we characterize the phase relationship between stimulation current and tES artifacts in EEG and MEG...
July 12, 2017: NeuroImage
https://www.readbyqxmd.com/read/28711006/assessment-of-the-municipal-water-cycle-in-china
#12
Tao Wang, Shuming Liu, Xuepeng Qian, Toshiyuki Shimizu, Sébastien M R Dente, Seiji Hashimoto, Jun Nakajima
Water produced from municipal utilities accounts for nearly 10% of the sum water demand in China. The municipal water cycle that integrates processes of urban water supply, water use, sewage treatment, and water reclamation has been assessed for 655 cities across nine drainage areas in mainland China in 2012. These cities in total extracted 55km(3) raw water for municipal use from surface waterbodies and ground aquifers, approximate to the countrywide freshwater extraction of Russia or Italy. After purification and transmission, 45km(3) water was distributed to industrial, service, and domestic users...
July 12, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28710450/interface-adhesion-and-structural-characterization-of-rolled-up-gaas-in0-2ga0-8as-multilayer-tubes-by-coherent-phonon-spectroscopy
#13
D Brick, V Engemaier, Y Guo, M Grossmann, G Li, D Grimm, O G Schmidt, M Schubert, V E Gusev, M Hettich, T Dekorsy
We present a detailed experimental and theoretical study of the acoustic phonon modes in rolled-up multilayers with thickness of the layers in the nanometre and diameters in the micrometre range. We compare our results to planar, unrolled multilayers grown by molecular beam epitaxy. For the planar multilayers the experimentally obtained acoustic modes exhibit properties of a superlattice and match well to calculations obtained by the Rytov model. The rolled-up superlattice tubes show intriguing differences compared to the planar structures which can be attributed to the imperfect adhesion between individual tube windings...
July 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28709212/contribution-of-electron-atom-collisions-to-the-plasma-conductivity-of-noble-gases
#14
S Rosmej, H Reinholz, G Röpke
We present an approach which allows the consistent treatment of bound states in the context of dc conductivity in dense partially ionized noble gas plasmas. Besides electron-ion and electron-electron collisions, further collision mechanisms owing to neutral constituents are taken into account. Especially at low temperatures of 10^{4}to10^{5} K, electron-atom collisions give a substantial contribution to the relevant correlation functions. We suggest an optical potential for the description of the electron-atom scattering which is applicable for all noble gases...
June 2017: Physical Review. E
https://www.readbyqxmd.com/read/28708870/assessment-of-resampling-methods-for-causality-testing-a-note-on-the-us-inflation-behavior
#15
Angeliki Papana, Catherine Kyrtsou, Dimitris Kugiumtzis, Cees Diks
Different resampling methods for the null hypothesis of no Granger causality are assessed in the setting of multivariate time series, taking into account that the driving-response coupling is conditioned on the other observed variables. As appropriate test statistic for this setting, the partial transfer entropy (PTE), an information and model-free measure, is used. Two resampling techniques, time-shifted surrogates and the stationary bootstrap, are combined with three independence settings (giving a total of six resampling methods), all approximating the null hypothesis of no Granger causality...
2017: PloS One
https://www.readbyqxmd.com/read/28708411/quantum-tunneling-contribution-for-the-activation-energy-in-microwave-induced-reactions
#16
Carlos Alberto Kuhnen, Evandro Luiz Dall Oglio, Paulo Teixeira de Sousa
In this study, a quantum approach is presented to explain microwave-enhanced reaction rates by considering the tunneling effects in chemical reactions. In the Arrhenius equation, the part of the Hamiltonian relative to the interaction energy during tunneling, between the particle that tunnels and the electrical field defined in the medium, whose spatial component is specified by its rms value, is taken into account. An approximate evaluation of the interaction energy leads to a linear dependence of the effective activation energy on the applied field...
July 14, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28703874/the-functional-potential-and-active-populations-of-the-pit-mud-microbiome-for-the-production-of-chinese-strong-flavour-liquor
#17
Yong Tao, Xiang Wang, Xiangzhen Li, Na Wei, Hong Jin, Zhancheng Xu, Qinglan Tang, Xiaoyu Zhu
The popular distilled Chinese strong-flavour liquor (CSFL) is produced by solid fermentation in the ground pit. Microbes inhabiting in the pit mud (PM) on the walls of the fermentation pit are responsible for the production of caproic acid (CA) that determines the quality of CSFL to a large degree. However, little is known about the active microbial populations and metabolic potential of the PM microbiome. Here, we investigated the overall metabolic features of the PM microbiome and its active microbial components by combining metagenomics and MiSeq-sequencing analyses of the 16S rRNA genes from DNA and RNA (cDNA)...
July 13, 2017: Microbial Biotechnology
https://www.readbyqxmd.com/read/28700203/mechanisms-of-atmospherically-relevant-cluster-growth
#18
Bryan R Bzdek, Joseph W DePalma, Murray V Johnston
Atmospheric aerosols impact global climate either directly by scattering solar radiation or indirectly by serving as cloud condensation nuclei, which influence cloud albedo and precipitation patterns. Our scientific understanding of these impacts is poor relative to that of, for instance, greenhouse gases, in part because it is difficult to predict particle number concentrations. One important pathway by which particles are added to the atmosphere is new particle formation, where gas phase precursors form molecular clusters that subsequently grow to the climatically relevant size range (50-100 nm diameter)...
July 12, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28699735/%C3%AF-conjugate-fluorophore-tagged-and-enzyme-responsive-l-amino-acid-polymer-nano-carrier-and-their-colour-tunable-intracellular-fret-probe-in-cancer-cells
#19
Sonashree Saxena, Manickam Jayakannan
The present investigation accounts one of the first example of enzyme-responsive and π-conjugate-tagged L-amino acid amphiphilic polymer and their fluorescence resonance energy transfer (FRET) probes for colour-tunable intracellular bio-imaging in cancer cells. Melt polymerizable oligo-phenylenevinylene (OPV) -conjugated diol was tailor-made and subjected to thermo-selective melt transesterification reaction with multi-functional L-aspartic acid monomer to yield OPV-tagged amphiphilic luminescent polyesters...
July 12, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28696097/chemical-reactions-of-molecules-promoted-and-simultaneously-imaged-by-the-electron-beam-in-transmission-electron-microscopy
#20
Stephen T Skowron, Thomas W Chamberlain, Johannes Biskupek, Ute Kaiser, Elena Besley, Andrei N Khlobystov
The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in this field, and to outline the opportunities in studying chemical reactions under the electron beam (e-beam). During TEM imaging of an individual molecule adsorbed on an atomically thin substrate, such as graphene or a carbon nanotube, the e-beam transfers kinetic energy to atoms of the molecule, displacing them from equilibrium positions. Impact of the e-beam triggers bond dissociation and various chemical reactions which can be imaged concurrently with their activation by the e-beam and can be presented as stop-frame movies...
July 11, 2017: Accounts of Chemical Research
keyword
keyword
2257
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"