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https://www.readbyqxmd.com/read/28654683/a-data-analysis-framework-for-biomedical-big-data-application-on-mesoderm-differentiation-of-human-pluripotent-stem-cells
#1
Benjamin Ulfenborg, Alexander Karlsson, Maria Riveiro, Caroline Améen, Karolina Åkesson, Christian X Andersson, Peter Sartipy, Jane Synnergren
The development of high-throughput biomolecular technologies has resulted in generation of vast omics data at an unprecedented rate. This is transforming biomedical research into a big data discipline, where the main challenges relate to the analysis and interpretation of data into new biological knowledge. The aim of this study was to develop a framework for biomedical big data analytics, and apply it for analyzing transcriptomics time series data from early differentiation of human pluripotent stem cells towards the mesoderm and cardiac lineages...
2017: PloS One
https://www.readbyqxmd.com/read/28654273/luminescent-dinuclear-ruthenium-terpyridine-complexes-with-a-bis-phenylbenzimidazole-spacer
#2
Debiprasad Mondal, Sourav Biswas, Animesh Paul, Sujoy Baitalik
A conjugated bis-terpyridine bridging ligand, 2-(4-(2,6-di(pyridin-2-yl)pyridin-4-yl)phenyl)-6-(2-(4-(2,6-di(pyridin-2-yl)pyridin-4-yl)phenyl)-1H-benzo[d]imidazol-6-yl)-1H-benzo[d] imidazole (tpy-BPhBzimH2-tpy), was designed in this work by covalent coupling of 3,3'-diaminobenzidine and two 4'-(p-formylphenyl)-2,2':6',2″-terpyridine units to synthesize a new series of bimetallic Ru(II)-terpyridine light-harvesting complexes. Photophysical and electrochemical properties were modulated by the variation of the terminal ligands in the complexes...
June 27, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28654267/ternary-silver-halide-nanocrystals
#3
Sasitha C Abeyweera, Kowsalya D Rasamani, Yugang Sun
Nanocrystalline silver halides (AgX) such as AgCl, AgBr, and AgI, a class of semiconductor materials with characteristics of both direct and indirect band gaps, represent the most crucial components in traditional photographic processing. The nanocrystal surfaces provide sensitivity specks that can turn into metallic silver, forming an invisible latent image, upon exposure to light. The photographic processing implies that the AgX nanoparticles possess unique properties. First, pristine AgX nanoparticles absorb light only at low efficiency to convert surface AgX into tiny clusters of silver atoms...
June 27, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28654105/facile-detection-of-glucose-in-human-serum-employing-silver-ion-guided-surface-enhanced-raman-spectroscopy-signal-amplification
#4
Cuicui Fu, Sila Jin, Joohee Oh, Shuping Xu, Young Mee Jung
A facile surface-enhanced Raman scattering (SERS) sensor based on a silver-ion-mediated amplification effect was designed for the determination of glucose concentration. In this approach, 4-aminothiophenol (4-ATP) molecules assembled on the surface of a gold wafer (Au wafer@4-ATP) act not only as Raman tags but also as linkage agents. Silver nanoparticles marked with cysteamine (AgNP@cys) were used as the SERS enhancement components because they could be bound to the Au wafer@4-ATP in the presence of silver ions through the formation of N → Ag(+) ← N coordination compounds...
June 27, 2017: Analyst
https://www.readbyqxmd.com/read/28653317/-osf6-x-molecular-models-for-spin-orbit-entangled-phenomena
#5
Rodolphe Clerac, Kasper Pedersen, Daniel Wooddruff, Saurabh Kumar Singh, Alain Tressaud, Etienne Durand, Mihail Atanasov, Panagiota Perlepe, Katharina Ollefs, Fabrice Wilhelm, Corine Mathonière, Frank Neese, Andrei Rogalev, Jesper Bendix
Heavy 5d elements, like osmium, feature strong spin-orbit interaction which is at the origin of exotic physical behaviors. Revealing the full potential of e.g. novel osmium oxide materials ("osmates") is however contingent upon a detailed understanding of the local single-ion properties. Herein, we report on two molecular osmate analogues, [OsF6]2- and [OsF6]-, as model systems for Os4+ and Os5+ centres found in oxides. Using X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) techniques combined with state-of-the-art ab initio calculations, we elucidate their ground state, which is mirroring the osmium electronic structure in osmates...
June 26, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28653074/parameterization-of-a-coarse-grained-model-with-short-ranged-interactions-for-modeling-fuel-cell-membranes-with-controlled-water-uptake
#6
Jibao Lu, Chance Miller, Valeria Molinero
The design of polymer electrolyte membranes with controlled water uptake is of high importance for high-performance fuel cells, because the water content of the membranes modulates their conductivity, chemical stability and mechanical strength. The water activity aw controls the equilibrium water uptake of a system. Predicting aw of materials is currently a daunting challenge for molecular simulations, because calculations of water activity require grand canonical simulations that are extremely expensive even with classical non-polarizable force fields...
June 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28652645/optical-control-of-capacitance-in-a-metal-insulator-semiconductor-diode-with-embedded-metal-nanoparticles
#7
V Mikhelashvili, G Ankonina, Y Kauffmann, G Atiya, W D Kaplan, R Padmanabhan, G Eisenstein
This paper describes a metal-insulator-semiconductor (MIS) capacitor with flat capacitance voltage characteristics and a small quadratic voltage capacitance coefficient. The device characteristics resemble a metal-insulator-metal diode except that here the capacitance depends on illumination and exhibits a strong frequency dispersion. The device incorporates Fe nanoparticles (NPs), mixed with SrF2, which are embedded in an insulator stack of SiO2 and HfO2. Positively charged Fe ions induce dipole type traps with an electronic polarization that is enhanced by photogenerated carriers injected from the substrate and/or by inter nanoparticle exchange of carriers...
June 7, 2017: Journal of Applied Physics
https://www.readbyqxmd.com/read/28652367/spatially-resolved-multicolor-cspbx3-nanowire-heterojunctions-via-anion-exchange
#8
Letian Dou, Minliang Lai, Christopher S Kley, Yiming Yang, Connor G Bischak, Dandan Zhang, Samuel W Eaton, Naomi S Ginsberg, Peidong Yang
Halide perovskites are promising semiconductor materials for solution-processed optoelectronic devices. Their strong ionic bonding nature results in highly dynamic crystal lattices, inherently allowing rapid ion exchange at the solid-vapor and solid-liquid interface. Here, we show that the anion-exchange chemistry can be precisely controlled in single-crystalline halide perovskite nanomaterials when combined with nanofabrication techniques. We demonstrate spatially resolved multicolor CsPbX3 (X = Cl, Br, I, or alloy of two halides) nanowire heterojunctions with a pixel size down to 500 nm with the photoluminescence tunable over the entire visible spectrum...
June 26, 2017: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/28650988/transcriptomic-analysis-to-uncover-genes-affecting-cold-resistance-in-the-chinese-honey-bee-apis-cerana-cerana
#9
Kai Xu, Qingsheng Niu, Huiting Zhao, Yali Du, Yusuo Jiang
The biological activity and geographical distribution of honey bees is strongly temperature-dependent, due to their ectothermic physiology. In China, the endemic Apis cerana cerana exhibits stronger cold hardiness than Western honey bees, making the former species important pollinators of winter-flowering plants. Although studies have examined behavioral and physiological mechanisms underlying cold resistance in bees, data are scarce regarding the exact molecular mechanisms. Here, we investigated gene expression in A...
2017: PloS One
https://www.readbyqxmd.com/read/28650626/selenium-sequestration-in-a-cationic-layered-rare-earth-hydroxide-a-combined-batch-experiments-and-exafs-investigation
#10
Lin Zhu, Linjuan Zhang, Jie Li, Duo Zhang, Lanhua Chen, Daopeng Sheng, Shitong Yang, Chengliang Xiao, Jianqiang Wang, Zhifang Chai, Thomas E Albrecht-Schmitt, Shuao Wang
Selenium is of great concern owing to its acutely toxic characteristic at elevated dosage and the long-term radiotoxicity of 79Se. The contents of selenium in industrial wastewater, agricultural runoff, and drinking water have to be constrained to a value of 10 μg/L as the maximum concentration limit. We reported here the selenium uptake using a structurally well-defined cationic layered rare earth hydroxide, Y2(OH)5Cl•1.5H2O. The sorption kinetics, isotherms, selectivity, and desorption of selenite and selenate on Y2(OH)5Cl•1...
June 26, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/28650617/kinetics-and-mechanism-of-the-autocatalytic-oxidation-of-bis-terpyridine-iron-ii-by-peroxomonosulfate-ion-oxone-in-acidic-medium
#11
Gábor Bellér, Gábor Lente, István Fábián
The autocatalytic oxidation of the bis(terpyridine)iron(II) complex, Fe(tpy)2(2+) by peroxomonosulfate ion (PMS) proceeds via the formation of the corresponding iron(III) complex (Fe(tpy)2(3+)) as the primary oxidation product. The proton-assisted dissociation of Fe(tpy)2(2+) and subsequent oxidation of Fe(2+) are side reactions in this system. In the initial stage of the reaction, a 1:1 adduct is formed between PMS and bis(terpyridine)iron(II), which decomposes in an intramolecular electron transfer reaction step...
June 26, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28650058/dynamically-tuning-near-infrared-induced-photothermal-performances-of-tio2-nanocrystals-by-nb-doping-for-imaging-guided-photothermal-therapy-of-tumors
#12
Nuo Yu, Yong Hu, Xiaoyong Wang, Gang Liu, Zhaojie Wang, Zixiao Liu, Qiwei Tian, Meifang Zhu, Xiangyang Shi, Zhigang Chen
Conventional wide bandgap semiconductors can absorb UV/visible light but have no photoabsorption band in the near-infrared (NIR) region, leading to difficulty in their use as NIR-responsive agents. With TiO2 as an example, we report the tuning from UV-responsive TiO2 nanocrystals to blue TiO2 nanocrystals with newly appeared NIR absorption band through the Nb-doping strategy. A strong NIR band should result from the localized surface plasmon resonances due to the considerable free electrons originating from the efficient incorporation of Nb(5+) ions (<15...
June 26, 2017: Nanoscale
https://www.readbyqxmd.com/read/28650020/difference-in-chemical-bonding-between-lithium-and-sodium-salts-influence-of-covalency-on-their-solubility
#13
Su Chen, Jun Ishii, Shunsuke Horiuchi, Masahiro Yoshizawa-Fujita, Ekaterina I Izgorodina
Recent thermal runaways in lithium-ion batteries have reinforced the focus on the research of safer electrolytes based on ionic liquids. A simple switch from organic solvents to ionic liquids has been proven difficult due to the decreased efficiency of batteries caused by decreased conductivity and increased viscosity of ionic liquids upon addition of lithium salts. The new trend in replacing lithium salts with a cheaper alternative, sodium salts, has resulted in rather poor solubility of sodium salts in commonly used ionic liquids...
June 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28650016/prediction-of-1-h-nmr-chemical-shifts-for-clusters-of-imidazolium-based-ionic-liquids
#14
Su Chen, Ekaterina I Izgorodina
Nuclear magnetic resonance (NMR) has been widely used to elucidate the bulk structure of ionic liquids. In this work, we calculated (1)H NMR chemical shifts of 1-ethyl-3-methylimidazolium (C2mim(+)) ionic liquids combined with various anions such as chloride (Cl), tetrafluoroborate (BF4), hexafluorophosphate (PF6), acetate (OAc), trifluoroacetate (TFA), and dicyanamide (DCA). The previously established level of theory, HF/6-311G+(3df,2p), was used for the accurate prediction of NMR chemical shifts both in gas phase and in solvents with varying dielectric constant such as CHCl3 and ethanol...
June 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28650012/high-cross-plane-thermoelectric-performance-of-metallo-porphyrin-molecular-junctions
#15
Mohammed Noori, Hatef Sadeghi, Qusiy Al-Galiby, Steven W D Bailey, Colin J Lambert
We investigated the thermoelectric properties of flat-stacked 5,15-diphenylporphyrins containing divalent metal ions Ni, Co, Cu or Zn, which are strongly coordinated with the nitrogens of pyridyl coated gold electrodes. Changing metal atom has little effect on the thermal conductance due to the phonons. The room-temperature Seebeck coefficients of these junctions are rather high, ranging from 90 μV K(-1) for Cu, Ni and Zn-porphyrins to -16 μV K(-1) for Co-porphyrin. These values could be further increased by lowering molecular energy levels relative to the DFT-predicted Fermi energy...
June 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28649367/nitric-oxide-signalling-and-neuronal-nitric-oxide-synthase-in-the-heart-under-stress
#16
REVIEW
Yin Hua Zhang
Nitric oxide (NO) is an imperative regulator of the cardiovascular system and is a critical mechanism in preventing the pathogenesis and progression of the diseased heart. The scenario of bioavailable NO in the myocardium is complex: 1) NO is derived from both endogenous NO synthases (endothelial, neuronal, and/or inducible NOSs [eNOS, nNOS, and/or iNOS]) and exogenous sources (entero-salivary NO pathway) and the amount of NO from exogenous sources varies significantly; 2) NOSs are located at discrete compartments of cardiac myocytes and are regulated by distinctive mechanisms under stress; 3) NO regulates diverse target proteins through different modes of post-transcriptional modification (soluble guanylate cyclase [sGC]/cyclic guanosine monophosphate [cGMP]/protein kinase G [PKG]-dependent phosphorylation, S-nitrosylation, and transnitrosylation); 4) the downstream effectors of NO are multidimensional and vary from ion channels in the plasma membrane to signalling proteins and enzymes in the mitochondria, cytosol, nucleus, and myofilament; 5) NOS produces several radicals in addition to NO (e...
2017: F1000Research
https://www.readbyqxmd.com/read/28648579/release-mechanism-of-doxazosin-from-carrageenan-matrix-tablets-effect-of-ionic-strength-and-addition-of-sodium-dodecyl-sulphate
#17
Petra Kos, Matej Pavli, Saša Baumgartner, Ksenija Kogej
The polyelectrolyte matrix tablets loaded with an oppositely charged drug exhibit complex drug-release mechanisms. In this study, the release mechanism of a cationic drug doxazosin mesylate (DM) from matrix tablets based on an anionic polyelectrolyte λ-carrageenan (λ-CARR) is investigated. The drug release rates from λ-CARR matrices are correlated with binding results based on potentiometric measurements using the DM ion-sensitive membrane electrode and with molecular characteristics of the DM-λ-CARR-complex particles through hydrodynamic size measurements...
June 22, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/28647825/contribution-characteristics-of-the-in-situ-extracellular-polymeric-substances-eps-in-phanerochaete-chrysosporium-to-pb-immobilization
#18
Ningjie Li, Xuehong Zhang, Dunqiu Wang, Yan Cheng, Lei Wu, Linbo Fu
White rot fungi have been extensively reported to have strong adsorption capacity to heavy metal ions, whereas the knowledge of extracellular polymeric substances (EPS) from the fungus has been rarely involved. In this study, the contribution characteristics of 'the in situ EPS in Phanerochaete chrysosporium to Pb immobilization were investigated. First of all, the component and amount of EPS were investigated. It was found that the main component of EPS was carbohydrates, and highest EPS amount was produced at 5 days...
June 24, 2017: Bioprocess and Biosystems Engineering
https://www.readbyqxmd.com/read/28647261/removal-of-ammonium-ion-from-water-by-na-rich-birnessite-performance-and-mechanisms
#19
Ya Cheng, Tinglin Huang, Xinxin Shi, Gang Wen, Yuankui Sun
Na-rich birnessite (NRB) was synthesized by a simple synthesis method and used as a high-efficiency adsorbent for the removal of ammonium ion (NH4(+)) from aqueous solution. In order to demonstrate the adsorption performance of the synthesized material, the effects of contact time, pH, initial ammonium ion concentration, and temperature were investigated. Adsorption kinetics showed that the adsorption behavior followed the pseudo second-order kinetic model. The equilibrium adsorption data were fitted to Langmuir and Freundlich adsorption models and the model parameters were evaluated...
July 2017: Journal of Environmental Sciences (China)
https://www.readbyqxmd.com/read/28646738/the-effect-of-soil-properties-on-the-toxicity-and-bioaccumulation-of-ag-nanoparticles-and-ag-ions-in-enchytraeus-crypticus
#20
Emel Topuz, Cornelis A M van Gestel
Standard natural Lufa soils (2.2, 2.3 and 5M) with different organic carbon contents (0.67-1.61%) and pHCaCl2 (5.5-7.3) were spiked with ionic Ag (AgNO3) and polyvinyl pyrrolidone (AgNP-PVP) and citrate (AgNP-Cit) coated Ag nanoparticles (NPs). Enchytraeus crypticus were exposed for 21 days to assess effects on survival and reproduction. Soil, pore water and animals were analyzed for Ag. AgNP-Cit had a strong increasing effect on soil pH, leading to high enchytraeid mortality at concentrations higher than 60-100mg Ag/kg dry soil which made it impossible to determine the influence of soil properties on its toxicity...
June 21, 2017: Ecotoxicology and Environmental Safety
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