Conformal stabilty molecular docking
Never published before.
This is a paper of my own invented chemical structure based Approach to molecular docking. This is a paper of my own invented chemical structure based Approach to molecular docking.
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Seen by:Peptidic coating for gold nanospheres multifunctionalizable with photostable and photolabile moieties
Journal of Materials Chemistry 2012 (RSC), doi: 10.1039/C2JM31782F
A single-step method to coat and trifunctionalize water-dispersed gold nanospheres (AuNss) with
carboxylic acids,... more
A single-step method to coat and trifunctionalize water-dispersed gold nanospheres (AuNss) with
carboxylic acids, amines, and alkynes is reported. The coating is based on a mix of two hexa-peptides,
differing only in the C-terminal amino acid. The process yields AuNss that are non-cytotoxic, stable in
physiological environments, and which present three reactive surface groups allowing rapid, selective,
10 and modular conjugation (click- and peptide-reactions) to virtually any chosen biomolecule or
fluorophore. Conjugated nanostructures were analyzed in vitro and in living cells. Confocal imaging and
colocalization analyses demonstrate the presence and reactivity of three different types of covalent bonds
with payloads: two of these are photostable while one bond is photolabile and can be cleaved by *Wpower
irradiation with a 561-nm cw laser.
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Seen by:Consistent temperature dependence of respiration across ecosystems contrasting in thermal history
by Dan Perkins
Ecosystem respiration is a primary component of the carbon cycle and understanding the mechanisms that determine its... more Ecosystem respiration is a primary component of the carbon cycle and understanding the mechanisms that determine its temperature dependence will be important for predicting how rates of carbon efflux might respond to global warming. We used a rare model system, comprising a network of geothermally heated streams ranging in temperature from 5 °C to 25 °C, to explore the nature of the relationship between respiration and temperature. Using this ‘natural experiment’, we tested whether the natal thermal regime of stream communities influenced the temperature dependence of respiration in the absence of other potentially confounding variables. An empirical survey of 13 streams across the thermal gradient revealed that the temperature dependence of whole-stream respiration was equivalent to the average activation energy of the respiratory complex (0.6–0.7 eV). This observation was also consistent for in-situ benthic respiration. Laboratory experiments, incubating biofilms from four streams across the thermal gradient at a range of temperatures, revealed that the activation energy and Q10 of respiration were remarkably consistent across streams, despite marked differences in their thermal history and significant turnover in species composition. Furthermore, absolute rates of respiration at standardised temperature were also unrelated to ambient stream temperature, but strongly reflected differences in biofilm biomass. Together, our results suggest that the core biochemistry,which drives the kinetics of oxidative respiratory metabolism, may be well conserved among diverse taxa and environments, and that the intrinsic sensitivity of respiration to temperature is not influenced by ambient environmental temperature.
Beyond the Barrier: A Hypothetical Model for Cause and Progression of Morgellons Disease
The author proposes the symptoms set often referred to as Morgellons Disease is the result of increasing inorganic
mercury levels beyond the blood/brain barrier (hereafter referred to as the Barrier Theory). While inorganic
mercury does not easily pass beyond the barrier, organic mercury does and may return to an inorganic
state beyond the barrier. If proven valid, our present understanding of mercury will need reevaluation.
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Seen by:Crystal Structure of ChrR - A Quinone Reductase with the Capacity to Reduce Chromate
PLoS ONE, 2012
Eswaramoorthy S and Poulain S (equal contributors), Hienerwadel R, Brémond N, Sylvester MD, Zhang Y-B, Berthomieu C, Van Der Lelie D, Matin A.
The Escherichia coli ChrR enzyme is an obligatory two-electron quinone reductase that has many applications, such as... more The Escherichia coli ChrR enzyme is an obligatory two-electron quinone reductase that has many applications, such as in chromate bioremediation. Its crystal structure, solved at 2.2 Å resolution, shows that it belongs to the flavodoxin superfamily in which flavin mononucleotide (FMN) is firmly anchored to the protein. ChrR crystallized as a tetramer, and size exclusion chromatography showed that this is the oligomeric form that catalyzes chromate reduction. Within the tetramer, the dimers interact by a pair of two hydrogen bond networks, each involving Tyr128 and Glu146 of one dimer and Arg125 and Tyr85 of the other; the latter extends to one of the redox FMN cofactors. Changes in each of these amino acids enhanced chromate reductase activity of the enzyme, showing that this network is centrally involved in chromate reduction.
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Seen by:A Necessary Condition for Proof of Abiotic Semiosis
To appear in Semiotica.
This short essay seeks to identify and prevent a pitfall that attends less careful inquiries into “physiosemiosis.” It... more This short essay seeks to identify and prevent a pitfall that attends less careful inquiries into “physiosemiosis.” It is emphasized that, in order to truly establish the presence of sign-action in the non-living world, all the components of a triadic sign — including the interpretant — would have to be abiotic (that is, not dependent on a living organism). Failure to heed this necessary condition can lead one to hastily confuse a natural sign (like smoke coming from fire) for an instance of abiotic semiosis. A more rigorous and reserved approach to the topic is called for.
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Seen by:The contribution of CK2 and spleen tyrosine kinase (SYK) to CFTR trafficking and PKA-induced activity
Simão Luz, Patthara Kongsuphol, Ana Mendes, Francisco Romeiras, Marisa Sousa, Rainer Schreiber, Paulo Matos, Peter Jordan, Anil Mehta, Margarida Amaral, Karl Kunzelmann, Carlos Farinha (2011) “The contribution of CK2 and spleen tyrosine kinase (SYK) to CFTR trafficking and PKA-induced activity” Mol Cell Biol [Epub ahead of print]
Metformin Treatment of Diabetes Mellitus Increases the Risk for Pancreatitis In Patients Bearing the CFTR-Mutation S573C
Patthara Kongsuphol, Diane Cassidy, Francisco Romeiras, Rainer Schreiber, Anil Mehta, Karl Kunzelmann (2010) “Metformin treatment of diabetes mellitus increases the risk for pancreatitis in patients bearing the CFTR-mutation S573C”. Cell Physiol Biochem. 25:389-396
STUDYING ANCIENT CROP PROVENANCE: IMPLICATIONS FROM δ13C AND δ15N OF CHARRED BARLEY IN A MIDDLE BRONZE AGE SILO AT EBLA (NW SYRIA)
Published in Rapid Communications in Mass Spectromentry 6, 327.
Co-authored with Girolamo Fiorentino, Grazia Casiello, Francesco Longobardi, Antonio Sacco,
The discovery of a storeroom full of barley and other cereals (L.9512) in the proto-historic site of Ebla has provided... more The discovery of a storeroom full of barley and other cereals (L.9512) in the proto-historic site of Ebla has provided a unique opportunity to study the early city-state’s centralized storage system from a different perspective. Epigraphic evidence available within the site reveals a complex system of taxation which included gathering grain tributes from satellite sites and redistributing semi-finished products such as flour. In this paper, we intend to explore the possibilities of a combined approach, based on estimated barley grain volumes and δ13C-δ15N analyses. This approach is used to distinguish between grain from different harvesting sites and to identify any grain cultivated using special agricultural practices (e.g. manuring or irrigation). The basic assumption for this kind of analysis is that the growth-site conditions, natural or anthropogenic, of harvested cereals are reflected in their grain size and δ13C-δ15N values. Since the remains found in the storeroom were charred, the first task was to evaluate the effect of carbonization on the δ13C-δ15N and the size of the grains. Thus, the effect of charring was tested on modern samples of Syrian barley landraces. Once ascertained that fresh grains reduced to charred remains retain their original biometric and isotopic traits, the ancient material was examined. 13 groups were identified, each characterized by a specific average volume and specific carbon and nitrogen values. The analysis revealed that what had first appeared to be a homogeneous concentration of grain was in fact an assemblage of barley harvested from different sites .
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