437 research outputs found
Applications of aerospace technology to petroleum extraction and reservoir engineering
Through contacts with the petroleum industry, the petroleum service industry, universities and government agencies, important petroleum extraction problems were identified. For each problem, areas of aerospace technology that might aid in its solution were also identified, where possible. Some of the problems were selected for further consideration. Work on these problems led to the formulation of specific concepts as candidate for development. Each concept is addressed to the solution of specific extraction problems and makes use of specific areas of aerospace technology
Driving calmodulin protein towards conformational shift by changing ionization states of select residues
Proteins are complex systems made up of many conformational sub-states which are mainly determined by the folded structure. External factors such as solvent type, temperature, pH and ionic strength play a very important role in the conformations sampled by proteins. Here we study the conformational multiplicity of calmodulin (CaM) which is a protein that plays an important role in calcium signaling pathways in the eukaryotic cells. CaM can bind to a variety of other proteins or small organic compounds, and mediates different physiological processes by activating various enzymes. Binding of calcium ions and proteins or small organic molecules to CaM induces large conformational changes that are distinct to each interacting partner. In particular, we discuss the effect of pH variation on the conformations of CaM. By using the pKa values of the charged residues as a basis to assign protonation states, the conformational changes induced in CaM by reducing the pH are studied by molecular dynamics simulations. Our current view suggests that at high pH, barrier crossing to the compact form is prevented by repulsive electrostatic interactions between the two lobes. At reduced pH, not only is barrier crossing facilitated by protonation of residues, but also conformations which are on average more compact are attained. The latter are in accordance with the fluorescence resonance energy transfer experiment results of other workers. The key events leading to the conformational change from the open to the compact conformation are (i) formation of a salt bridge between the N-lobe and the linker, stabilizing their relative motions, (ii) bending of the C-lobe towards the N-lobe, leading to a lowering of the interaction energy between the two-lobes, (iii) formation of a hydrophobic patch between the two lobes, further stabilizing the bent conformation by reducing the entropic cost of the compact form, (iv) sharing of a Ca+2 ion between the two lobes
Free energy barrier for melittin reorientation from a membrane-bound state to a transmembrane state
An important step in a phospholipid membrane pore formation by melittin
antimicrobial peptide is a reorientation of the peptide from a surface into a
transmembrane conformation. In this work we perform umbrella sampling
simulations to calculate the potential of mean force (PMF) for the
reorientation of melittin from a surface-bound state to a transmembrane state
and provide a molecular level insight into understanding peptide and lipid
properties that influence the existence of the free energy barrier. The PMFs
were calculated for a peptide to lipid (P/L) ratio of 1/128 and 4/128. We
observe that the free energy barrier is reduced when the P/L ratio increased.
In addition, we study the cooperative effect; specifically we investigate if
the barrier is smaller for a second melittin reorientation, given that another
neighboring melittin was already in the transmembrane state. We observe that
indeed the barrier of the PMF curve is reduced in this case, thus confirming
the presence of a cooperative effect
Surface Affinity of the Hydronium Ion: The Effective Fragment Potential and Umbrella Sampling
The surface affinity of the hydronium ion in water is investigated with umbrella sampling and classical molecular dynamics simulations, in which the system is described with the effective fragment potential (EFP). The solvated hydronium ion is also explored using second order perturbation theory for the hydronium ion and the empirical TIP5P potential for the waters. Umbrella sampling is used to analyze the surface affinity of the hydronium ion, varying the number of solvent water molecules from 32 to 256. Umbrella sampling with the EFP method predicts the hydronium ion to most probably lie about halfway between the center and edge of the water cluster, independent of the cluster size. Umbrella sampling using MP2 for the hydronium ion and TIP5P for the solvating waters predicts that the solvated proton most probably lies about 0.5–2.0 Å from the edge of the water cluster independent of the cluster size
Predictors of COVID-19 epidemics in countries of the World Health Organization African Region
The implications of three major new trials for the effect of water, sanitation and hygiene on childhood diarrhea and stunting: a consensus statement
BACKGROUND: Three large new trials of unprecedented scale and cost, which included novel factorial designs, have found no effect of basic water, sanitation and hygiene (WASH) interventions on childhood stunting, and only mixed effects on childhood diarrhea. Arriving at the inception of the United Nations' Sustainable Development Goals, and the bold new target of safely managed water, sanitation and hygiene for all by 2030, these results warrant the attention of researchers, policy-makers and practitioners. MAIN BODY: Here we report the conclusions of an expert meeting convened by the World Health Organization and the Bill and Melinda Gates Foundation to discuss these findings, and present five key consensus messages as a basis for wider discussion and debate in the WASH and nutrition sectors. We judge these trials to have high internal validity, constituting good evidence that these specific interventions had no effect on childhood linear growth, and mixed effects on childhood diarrhea. These results suggest that, in settings such as these, more comprehensive or ambitious WASH interventions may be needed to achieve a major impact on child health. CONCLUSION: These results are important because such basic interventions are often deployed in low-income rural settings with the expectation of improving child health, although this is rarely the sole justification. Our view is that these three new trials do not show that WASH in general cannot influence child linear growth, but they do demonstrate that these specific interventions had no influence in settings where stunting remains an important public health challenge. We support a call for transformative WASH, in so much as it encapsulates the guiding principle that - in any context - a comprehensive package of WASH interventions is needed that is tailored to address the local exposure landscape and enteric disease burden
The economic geography of the meso-global spaces: integrating multinationals and clusters at the local-global level
This is an author's accepted manuscript of an article published in:
“European Planning Studies"; Volume 21, Issue 7, 2013; copyright Taylor & Francis; available online at: http://dx.doi.org/10.1080/09654313.2013.733853[EN] The local global phenomenon literature is fragmented between the fields of
international business and economic geography (EG). In the case of the latter, the literature,
produced within the global production networks (GPNs) and global value chain frameworks, does
not address the central role of firms, especially multinationals which co-locate and connect
territories along GPNs. This paper develops a cross-field conceptual integration in order to
enrich the EG perspective, using qualitative research methodology to test the framework. The
results have important implications for scholars and policymakers.We are very thankful to the “Ministry of Economics” funding ECO2010:17318 and “Generalitat Valenciana” for its support in visiting the London School of Economics and Political Science (BEST 2011 grants)Hervás Oliver, JL.; Boix Domenech, R. (2012). The economic geography of the meso-global spaces: integrating multinationals and clusters at the local-global level. European Planning Studies. 21(7):1064-1080. https://doi.org/10.1080/09654313.2013.733853S1064108021
Artificial Gravity Reveals that Economy of Action Determines the Stability of Sensorimotor Coordination
Background: When we move along in time with a piece of music, we synchronise the downward phase of our gesture with the beat. While it is easy to demonstrate this tendency, there is considerable debate as to its neural origins. It may have a structural basis, whereby the gravitational field acts as an orientation reference that biases the formulation of motor commands. Alternatively, it may be functional, and related to the economy with which motion assisted by gravity can be generated by the motor system
Cohabiting family members share microbiota with one another and with their dogs
Human-associated microbial communities vary across individuals: possible contributing factors include (genetic) relatedness, diet, and age. However, our surroundings, including individuals with whom we interact, also likely shape our microbial communities. To quantify this microbial exchange, we surveyed fecal, oral, and skin microbiota from 60 families (spousal units with children, dogs, both, or neither). Household members, particularly couples, shared more of their microbiota than individuals from different households, with stronger effects of co-habitation on skin than oral or fecal microbiota. Dog ownership significantly increased the shared skin microbiota in cohabiting adults, and dog-owning adults shared more ‘skin’ microbiota with their own dogs than with other dogs. Although the degree to which these shared microbes have a true niche on the human body, vs transient detection after direct contact, is unknown, these results suggest that direct and frequent contact with our cohabitants may significantly shape the composition of our microbial communities. DOI: http://dx.doi.org/10.7554/eLife.00458.00
5-Hydroxytryptamine receptors (version 2019.4) in the IUPHAR/BPS Guide to Pharmacology Database
oai:ojs.pkp.sfu.ca:article/31555-HT receptors (nomenclature as agreed by the NC-IUPHAR Subcommittee on 5-HT receptors [194] and subsequently revised [176]) are, with the exception of the ionotropic 5-HT3 class, GPCRs where the endogenous agonist is 5-hydroxytryptamine. The diversity of metabotropic 5-HT receptors is increased by alternative splicing that produces isoforms of the 5-HT2A (non-functional), 5-HT2C (non-functional), 5-HT4, 5-HT6 (non-functional) and 5-HT7 receptors. Unique amongst the GPCRs, RNA editing produces 5-HT2C receptor isoforms that differ in function, such as efficiency and specificity of coupling to Gq/11 and also pharmacology [40, 482]. Most 5-HT receptors (except 5-ht1e and 5-ht5b) play specific roles mediating functional responses in different tissues (reviewed by [463, 382])
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