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https://www.readbyqxmd.com/read/28822932/hydrochemistry-of-waters-in-snowpacks-lakes-and-streams-of-mt-dagu-eastern-of-tibet-plateau
#1
Guang Zhao, Wei Li, Feng Li, Fu Zhang, Gangcai Liu
There is little available information on hydrochemistry of waters from glacial source to downstream of glacierized catchments. Here we examine the water chemistry of the snowpacks, lakes and streams at eight sampling sites within glacial basin in Mt. Dagu, east Tibetan Plateau. An air mass trajectory model, correlation analysis, Gibbs model, Piper diagram and hydrograph separation analysis were utilized to investigate the characteristics and solutes sources of these waters. Generally, the TDS (Total dissolved solids; 7...
August 17, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28822333/virtual-screening-and-repositioning-of-inconclusive-molecules-of-beta-lactamase-bioassays-a-data-mining-approach
#2
Akshata Gad, Andrew Titus Manuel, Jinuraj K R, Lijo John, Sajeev R, Shanmuga Priya V G, Abdul Jaleel U C
This study focuses on the best possible way forward in utilizing inconclusive molecules of PubChem bioassays AID 1332, AID 434987 and AID 434955, which are related to beta-lactamase inhibitors of Mycobacterium tuberculosis (Mtb). The inadequacy in the experimental methods that were observed during the invitro screening resulted in an inconclusive dataset. This could be due to certain moieties present within the molecules. In order to reconsider such molecules, insilico methods can be suggested in place of invitro methods For instance, datamining and medicinal chemistry methods: have been adopted to prioritise the inconclusive dataset into active or inactive molecules...
July 29, 2017: Computational Biology and Chemistry
https://www.readbyqxmd.com/read/28822288/two-sides-of-the-coin-part-2-colloid-and-surface-science-meets-real-biointerfaces
#3
Barry W Ninham, Kåre Larsson, Pierandrea Lo Nostro
Part 1 revisited developments in lipid and surfactant self assembly over the past 40 years [1]. New concepts emerged. Here we explore how these developments can be used to make sense of and bring order to a range of complex biological phenomena. Together with Part 1, this contribution is a fundamental revision of intuition at the boundaries of Colloid Science and Biological interfaces from a perspective of nearly 50 years. We offer new insights on a unified treatment of self assembly of lipids, surfactants and proteins in the light of developments presented in Part 1...
August 5, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28822040/the-effect-of-sources-and-air-mass-transport-on-the-variability-of-trace-element-deposition-in-central-poland-a-cluster-based-approach
#4
Patrycja Siudek, Marcin Frankowski
Measurements of trace element (As, Cu, Cd, Cr, Ni, Pb, Zn) deposition fluxes were conducted simultaneously in two contrasted environments, i.e., urban and forest, between April 2013 and October 2014. This was the first such project in central Poland, aimed at long-term observations of trace elements in the atmosphere and their distribution, transport, and deposition pattern. The receptor sites were different in terms of local meteorological conditions, emission potential, and distance to major anthropogenic sources...
August 19, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28821552/differences-in-temperature-and-water-chemistry-shape-distinct-diversity-patterns-in-thermophilic-microbial-communities
#5
Cecilia M Chiriac, Edina Szekeres, Knut Rudi, Andreea Baricz, Adriana Hegedus, Nicolae Dragoş, Cristian Coman
This study presents the biodiversity and ecology of microbial mats developed in thermal gradients (20-65 °C) in the surroundings of three drillings (CH, CI, MB) tapping a hyperthermal aquifer from Romania. Using a metabarcoding approach, 16S rRNA genes were sequenced from both DNA and RNA transcripts (cDNA) and compared. The relationships between the microbial diversity and the physico-chemical factors were explored. Additionally, the cDNA data was used for in silico functionality predictions, bringing new insights into the functional potential and dynamics of these communities...
August 18, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/28821347/stable-oil-laden-foams-formation-and-evolution
#6
REVIEW
Rémy Mensire, Elise Lorenceau
The interaction between oil and foam has been the subject of various studies. Indeed, oil can be an efficient defoaming agent, which can be highly valuable in various industrial applications where undesired foaming may occur, as seen in jet-dyeing processes or waste water treatment plant. However, oil and foam can also constructively interact as observed in detergency, fire-fighting, food and petroleum industries, where oil can be in the foam structure or put into contact with the foam without observing a catastrophic break-up of the foam...
August 2, 2017: Advances in Colloid and Interface Science
https://www.readbyqxmd.com/read/28821265/poncet-s-disease-after-the-intravesical-instillation-of-bacillus-calmette-gu%C3%A3-rin-bcg-a-case-report
#7
Paula Cíntia Machado Sampaio, Yan Garcia Lira, Hellen Yuki Umemura Ribeiro, Fernanda de Paula Moreira, Maitê Silva Martins Gadelha, Sérgio Ferreira Santos da Cruz
BACKGROUND: Poncet's disease is a rare syndrome characterized by articular impairment in a form of rare tuberculid. One of the theories of its cause involves an autoimmune response induced by the intravesical administration of the Calmette-Guerin Bacillus or the treatment of bladder carcinoma. Furthermore, there may be an appearance of oligoarticular or polyarticular arthritis, beginning 1-3 months after the start of therapy. Few physicians know the disease and the literature related to that syndrome is scarce and restricted to case reports, which contributes to its under diagnosis...
August 18, 2017: BMC Research Notes
https://www.readbyqxmd.com/read/28821052/industrial-scale-salt-free-reactive-dyeing-of-cationized-cotton-fabric-with-different-reactive-dye-chemistry
#8
Arivithamani Nallathambi, Giri Dev Venkateshwarapuram Rengaswami
Dyeing of knitted cotton goods in the industry has been mostly with reactive dyes. Handling of salt laden coloured effluent arising out of dyeing process is one of the prime concerns of the industry. Cationization of cotton is one of the effective alternative to overcome the above problem. But for cationization to be successful at industrial scale it has to be carried out by exhaust process and should be adoptable for the various dye chemistries currently practiced in the industry. Hence, in the present work, industrial level exhaust method of cationization process was carried out with concentration of 40g/L and 80g/L...
October 15, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28820933/surface-chemistry-of-la0-99sr0-01nbo4-d-and-its-implication-for-proton-conduction
#9
Cheng Li, Stevin S Pramana, Na Ni, John A Kilner, Stephen J Skinner
Acceptor doped LaNbO4 is a promising electrolyte material for proton conducting fuel cell (PCFC) applications. As charge transfer processes govern device performance, the outermost surface of acceptor doped LaNbO4 will play an important role in determining the overall cell performance. However, the surface composition is poorly characterized, and the understanding of its impact on the proton exchange process is rudimentary. In this work, the surface chemistry of 1 at% Sr doped LaNbO4 (La0.99Sr0.01NbO4-d, denoted as LSNO) proton conductor is characterized using LEIS and SIMS...
August 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28820592/copper-i-no-g-reductive-coupling-producing-a-trans-hyponitrite-bridged-dicopper-ii-complex-redox-reversal-giving-copper-i-no-g-disproportionation
#10
Gayan B Wijeratne, Shabnam Hematian, Maxime A Siegler, Kenneth D Karlin
A copper complex, [CuI(tmpa)(MeCN)]+, effectively reductively couples NO(g) at RT in methanol, giving a structurally characterized hyponitrito-dicopper(II) adduct. Hydrogen-bonding from MeOH is critical for the hyponitrite complex formation and stabilization. This complex exhibits the reverse redox process in aprotic solvents, giving CuI + NO, leading to CuI-mediated NO disproportionation. The relation-ship of this chemistry to biological iron and/or copper mediated NO reductive coupling to give N2O(g) is discussed...
August 18, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28820586/dissociation-chemistry-of-3-oxetanone-in-the-gas-phase
#11
Sumitra Godara, Pooja Verma, Manikandan Paranjothy
3-Oxetanone is a strained cyclic molecule which plays an important role in synthetic chemistry. A few studies exist in the literature about the equilibrium properties of this molecule and the dissociation patterns of substituted 3-oxetanones. For the unsubstituted 3-oxetanone, formation of ketene (CH2CO) and formaldehyde (HCHO) was considered to be the major dissociation pathway. In a recent work, pyrolysis products of 3-oxetanone molecule in the gas phase were investigated by Fourier transform infrared spectroscopy and photoionization mass spectrometry...
August 18, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28820267/causes-and-significance-of-increased-compound-potency-in-cellular-or-physiological-contexts
#12
Adam G Schwaid, Ivan Cornella-Taracido
Compound potency is a key metric that is often used to drive medicinal chemistry programs. Compound potency is also taken into account when identifying the mechanism of action of compounds whose pharmacological target is unknown, particularly when these compounds are identified in phenotypic screens. Often compound potency is determined from assays using recombinantly generated, purified protein. It is well understood in the medicinal chemistry community that potency measured with recombinant enzyme and potency measured in cell may not entirely coincide...
August 18, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28820253/bioinorganic-chemistry-of-parkinson-s-disease-affinity-and-structural-features-of-cu-i-binding-to-the-full-length-%C3%AE-synuclein-protein
#13
Marco C Miotto, Mayra D Pavese, Liliana Quintanar, Markus Zweckstetter, Christian Griesinger, Claudio O Fernández
Alterations in the levels of copper in brain tissue and formation of α-synuclein (αS)-copper complexes might play a key role in the amyloid aggregation of αS and the onset of Parkinson's disease (PD). Recently, we demonstrated that formation of the high-affinity Cu(I) complex with the N-terminally acetylated form of the protein αS substantially increases and stabilizes local conformations with α-helical secondary structure and restricted motility. In this work, we performed a detailed NMR-based structural characterization of the Cu(I) complexes with the full-length acetylated form of its homologue β-synuclein (βS), which is colocalized with αS in vivo and can bind copper ions...
August 18, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28820210/spiers-memorial-lecture-%C3%A2-progress-and-prospects-of-reticular-chemistry
#14
Bunyarat Rungtaweevoranit, Christian S Diercks, Markus J Kalmutzki, Omar M Yaghi
Reticular chemistry, the linking of molecular building units by strong bonds to make crystalline, extended structures such as metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), and covalent organic frameworks (COFs), is currently one of the most rapidly expanding fields of science. In this contribution, we outline the origins of the field; the key intellectual and practical contributions, which have led to this expansion; and the new directions reticular chemistry is taking that are changing the way we think about making new materials and the manner with which we incorporate chemical information within structures to reach additional levels of functionality...
August 18, 2017: Faraday Discussions
https://www.readbyqxmd.com/read/28820196/on-the-mobility-of-carriers-at-semi-coherent-oxide-heterointerfaces
#15
Pratik P Dholabhai, Enrique Martínez, Nicholas T Brown, Blas Pedro Uberuaga
In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities...
August 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28820195/photoelectron-spectroscopy-of-isolated-luciferin-and-infraluciferin-anions-in-vacuo-competing-photodetachment-photofragmentation-and-internal-conversion
#16
Joanne L Woodhouse, Mariana Assmann, Michael A Parkes, Helen Grounds, Steven J Pacman, James C Anderson, Graham A Worth, Helen H Fielding
The electronic structure and excited-state dynamics of the ubiquitous bioluminescent probe luciferin and its furthest red-shifted analogue infraluciferin have been investigated using photoelectron spectroscopy and quantum chemistry calculations. In our electrospray ionization source, the deprotonated anions are formed predominantly in their phenolate forms and are directly relevant to studies of luciferin and infraluciferin as models for their unstable oxyluciferin and oxyinfraluciferin emitters. Following photoexcitation in the range 357-230 nm, we find that internal conversion from high-lying excited states to the S1(1ππ*) state competes efficiently with electron detachment...
August 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28819970/chemical-selectivity-at-grain-boundary-dislocations-in-monolayer-mo1-xwxs2-transition-metal-dichalcogenides
#17
Ziqian Wang, Yuhao Shen, Shoucong Ning, Yoshikazu Ito, Pan Liu, Zheng Tang, Takeshi Fujita, Akihiko Hirata, Mingwei Chen
Grain boundaries (GBs) are unavoidable crystal defects in polycrystalline materials and significantly influence their properties. However, the structure and chemistry of GBs in 2D transition metal dichalcogenide alloys have not been well established. Here we report significant chemical selectivity of transition metal atoms at GB dislocation cores in Mo1-xWxS2 monolayers. Different from classical elastic field-driven dislocation segregation in bulk crystals, the chemical selectivity in the 2D crystals originates prominently from variation of atomic coordination numbers at dislocation cores...
August 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28819646/a-molecular-quantum-spin-network-controlled-by-a-single-qubit
#18
Lukas Schlipf, Thomas Oeckinghaus, Kebiao Xu, Durga Bhaktavatsala Rao Dasari, Andrea Zappe, Felipe Fávaro de Oliveira, Bastian Kern, Mykhailo Azarkh, Malte Drescher, Markus Ternes, Klaus Kern, Jörg Wrachtrup, Amit Finkler
Scalable quantum technologies require an unprecedented combination of precision and complexity for designing stable structures of well-controllable quantum systems on the nanoscale. It is a challenging task to find a suitable elementary building block, of which a quantum network can be comprised in a scalable way. We present the working principle of such a basic unit, engineered using molecular chemistry, whose collective control and readout are executed using a nitrogen vacancy (NV) center in diamond. The basic unit we investigate is a synthetic polyproline with electron spins localized on attached molecular side groups separated by a few nanometers...
August 2017: Science Advances
https://www.readbyqxmd.com/read/28819465/chemical-control-and-spectral-fingerprints-of-electronic-coupling-in-carbon-nanostructures
#19
Jacek Kłos, Mijin Kim, Millard H Alexander, YuHuang Wang
The optical and electronic properties of atomically thin materials such as single-walled carbon nanotubes and graphene are sensitively influenced by substrates, the degree of aggregation, and the chemical environment. However, it has been experimentally challenging to determine the origin and quantify these effects. Here we use time-dependent density-functional-theory calculations to simulate these properties for well-defined molecular systems. We investigate a series of core-shell structures containing C60 enclosed in progressively larger carbon shells and their perhydrogenated or perfluorinated derivatives...
December 29, 2016: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28819353/a-metabolomics-guided-exploration-of-marine-natural-product-chemical-space
#20
Dimitrios J Floros, Paul R Jensen, Pieter C Dorrestein, Nobuhiro Koyama
INTRODUCTION: Natural products from culture collections have enormous impact in advancing discovery programs for metabolites of biotechnological importance. These discovery efforts rely on the metabolomic characterization of strain collections. OBJECTIVE: Many emerging approaches compare metabolomic profiles of such collections, but few enable the analysis and prioritization of thousands of samples from diverse organisms while delivering chemistry specific read outs...
September 2016: Metabolomics: Official Journal of the Metabolomic Society
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