SAFT-γ force field for the simulation of molecular fluids: 8. Hetero-segmented coarse-grained models of perfluoroalkylalkanes assessed with new vapour–liquid interfacial tension data

<p>The air–liquid interfacial behaviour of linear perfluoroalkylalkanes (PFAAs) is reported through a combined experimental and computer simulation study. The surface tensions of seven liquid PFAAs (perfluorobutylethane, F₄H₂; perfluorobutylpentane, F₄H₅; perfluorobutylhexane, F₄H₆, perfluorobutyloctane, F₄H₈; perfluorohexylethane, F₆H₂; perfluorohexylhexane, F₆H₆; and perfluorohexyloctane, F₆H₈) are experimentally determined over a wide temperature range (276–350 K). The corresponding surface thermodynamic properties and the critical temperatures of the studied compounds are estimated from the temperature dependence of the surface tension. Experimental density and vapour pressure data are employed to parameterize a generic heteronuclear coarse-grained intermolecular potential of the SAFT-γ family for PFAAs. The resulting force field is used in direct molecular-dynamics simulations to predict the experimental tensions with quantitative agreement and to explore the conformations of the molecules in the interfacial region revealing a preferential alignment of the PFAA molecules towards the interface and an enrichment of the perfluoro groups at the outer interface region.</p

Additional file 2: of Chronic disease management perspectives of colorectal cancer survivors using the Veterans Affairs healthcare system: a qualitative analysis

Qualitative guide sample interview questions. This is an example of questions asked during individual qualitative interviews with colorectal cancer survivors. (DOCX 63 kb

Additional file 1: of Chronic disease management perspectives of colorectal cancer survivors using the Veterans Affairs healthcare system: a qualitative analysis

Figure S1. Association between CRC and CVD risk factors. This figure depicts individual and shared risk factors for CRC and CVD. (DOCX 266 kb

Additional file 3: Figure S3. of Uncoupling neuronal death and dysfunction in Drosophila models of neurodegenerative disease

Low power histologic sections. (PDF 158 kb

Additional file 1: of Supporting teams to optimize function and independence in Veterans: a multi-study program and mixed methods protocol

Function QUERI implementation activities, by phase of REP (indicated by green arrows) and highlighting application of CONNECT (red arrows) for each project. (DOCX 222 kb

Additional file 4: Figure S4. of Uncoupling neuronal death and dysfunction in Drosophila models of neurodegenerative disease

Expression and toxicity of non-codon optimized ÎąSyn. (PDF 141 kb

Additional file 1: Figure S1. of Uncoupling neuronal death and dysfunction in Drosophila models of neurodegenerative disease

Quantitation of transgenic expression of Tau, Aβ, and ιSyn. (PDF 130 kb

Distribution of peptide ions with similarity to CAZy enzymes, proteins with predicted function (PF) and proteins with hypothetical function (HYP).

<p>The tandem mass spectrometry analyses of the <i>P. echinulatum</i> secretome allowed the unambiguous assignment of 206 unique peptides, which were distributed across 18 CAZy families. The bar size indicates the percentage of total peptide matches in each condition.</p

Heat map showing the relative abundance of the unique peptide ions in the different secretomes analyzed.

<p>Rows of the heat map correspond to the protein families, and columns correspond to the carbon sources used for fungal growth: SCB, HDT, SET, SAT and MCL. The peptide matches were categorized based on their similarity to CAZy families, proteins with predicted function (PF) and hypothetical proteins (HYP). The color of each protein families related to unique peptides matches abundance in the different growth conditions, varying from a minimum (red) to maximum (green) abundance.</p

The distribution of protein matches identified in each growth condition with the respect to their classification in CAZy families of cellulases (Blue), hemicellulases and other GH family members (Red), proteins of predicted function (Green) and hypothetical proteins (Purple).

<p>The distribution of protein matches identified in each growth condition with the respect to their classification in CAZy families of cellulases (Blue), hemicellulases and other GH family members (Red), proteins of predicted function (Green) and hypothetical proteins (Purple).</p