Explicit calculation of natural aeration using a Volume-of-Fluid model

This is the author accepted manuscript. The final version is available from the publisher via the DOI in this record.Accurate prediction of the air-entrainment process in air-water two-phase turbulent flows is one of the most computationally challenging subjects under current investigation in hydraulic engineering. An ideal numerical model for air-entrainment needs to be accurate and fast in the definition of a macroscopic interface and simultaneously precise enough to take into account the formation of bubbles through the free-surface, their transport and their natural interactions: bubble-bubble and bubble-fluid. The problem is made more complex by the strong coupling between mesh and solution exhibited by interface capturing schemes which are commonly used for such problems. This paper examines numerical and modelling aspects of the entrainment process for two canonical cases; the 2D dam break and 3D circular plunging jet cases. We start by investigating the capacities of a Volume-of-Fluid based model to detect the free-surface and predict the velocities inside the water phase, examining the effect of coarsening and refining the mesh on the prediction of the interface location. A reformulated explicit term is used to detect bubble formation and air-entrainment at the free-surface, without the need of a calibration process and adapted to run together with Volume-of-Fluid models. The results obtained with this new approach are further compared with similar cases in the literature in terms of bubble formation and free-surface wave's amplitude. The correct definition of the free-surface was found to be strongly dependent on the mesh refinement in a way that has very significant implications for the development of air-entrainment modelling.This study was funded by FCT (Portuguese Foundation for Science 29 and Technology) through the Projects UID/MAR/04292/2013 and Grant SFRH/BD/85783/2012, financed by MEC 30 (Portuguese Ministry of Education and Science) and FSE (European Social Fund), under the programs POPH/QREN 31 (Human Potential Operational Programme from National Strategic Reference Framework) and POCH (Human Capital 32 Operational Programme) from Portugal2020

Directly probing surfactant adsorption on nanoscopic trenches and pillars

Hypothesis: Confinement causes a change in the amount of surfactant adsorbed and in the adsorption morphology. Experiments: Two cationic surfactants, tetradecyltrimethylammonium bromide (TTAB) and cetylpyridinium chloride (CPC) were adsorbed at the silica-water interface. Atomic force microscopy (AFM) force curves were measured on 50 nm and 80 nm wide trenches. Force curves were also measured on silica pillars, and the results were quantified based on distance from the edge. Findings: Trenches: Adsorbed surfactants films in 50 nm and 80 nm trenches showed the same break-through values. However, compared to unconfined values, TTAB in trenches had decreased break-through and adhesion forces while CPC in trenches had increased break-through and adhesion forces, indicating that surfactant identity varies the confinement effect. Pillars: Near the edge, few surfactants adsorb, and those that do extend in the direction normal to the surface. While the experimental data agree qualitatively with previous coarse-grained molecular dynamic simulations, the length scales at which the phenomena are detected differ by ~ half-order of magnitude. Specifically, experimental data show measurable effects on adsorbed surfactant morphology at a distance from the edge 10–20 times the length of a surfactant molecule after accounting for the ~8 nm size of the probe

Spontaneous surface adsorption of aqueous graphene oxide by synergy with surfactants.

The spontaneous adsorption of graphene oxide (GO) sheets at the air-water interface is explored using X-ray reflectivity (XRR) measurements. As a pure aqueous dispersion, GO sheets do not spontaneously adsorb at the air-water interface due to their high negative surface potential (-60 mV) and hydrophilic functionality. However, when incorporated with surfactant molecules at optimal ratios and loadings, GO sheets can spontaneously be driven to the surface. It is hypothesised that surfactant molecules experience favourable attractive interactions with the surfaces of GO sheets, resulting in co-assembly that serves to render the sheets surface active. The GO/surfactant composites then collectively adsorb at the air-water interface, with XRR analysis suggesting an interfacial structure comprising surfactant tailgroups in air and GO/surfactant headgroups in water for a combined thickness of 30-40 Å, depending on the surfactant used. Addition of too much surfactant appears to inhibit GO surface adsorption by saturating the interface, and low loadings of GO/surfactant composites (even at optimal ratios) do not show significant adsorption indicating a partitioning effect. Lastly, surfactant chemistry is also a key factor dictating adsorption capacity of GO. The zwitterionic surfactant oleyl amidopropyl betaine causes marked increases in GO surface activity even at very low concentrations (≤0.2 mM), whereas non-ionic surfactants such as Triton X-100 and hexaethyleneglycol monododecyl ether require higher concentrations (ca. 1 mM) in order to impart spontaneous adsorption of the sheets. Anionic surfactants do not enhance GO surface activity presumably due to like-charge repulsions that prevent co-assembly. This work provides useful insight into the synergy between GO sheets and molecular amphiphiles in aqueous systems for enhancing the surface activity of GO, and can be used to inform system formulation for developing water-friendly, surface active composites based around atomically thin materials

Exploring shear alignment of concentrated wormlike micelles using rheology coupled with small-angle neutron scattering

Wormlike micelles (WLMs) are vital components of many consumer products and industrial fluids, adding a shear-dependent viscous texture through their entanglement in solutions. It is now well accepted from experiments such as coupling rheology and scattering that, similar to many polymer solutions and dispersions of highly anisotropic particles, WLM behavior during shear arises from the alignment of the "worms"with the shear field, resulting in ordering that is rapidly lost in the cessation of shear. Most studies of such systems have been limited to dilute systems that are far below concentrations used industrially and commercially, due to the complexity of analyzing shear-induced many-body effects in high volume fraction dispersions. Here, we explore the shear alignment of concentrated WLM solutions comprising sodium laureth sulfate and cocamidopropyl betaine in 0.38 M aqueous sodium chloride. By analyzing only scattering data at high values of the scattering vector (i.e., correlations at short length scales that are dominant in such concentrated systems), we explore whether useful information can be obtained by naïvely approximating the WLMs as an ensemble of unconnected short rods representing sections of the worms. By taking this reductionist approach to analyzing the obtained two-dimensional scattering patterns from these systems under shear, we find that in this regime, such concentrated worms can be approximated as cylinders that become more aligned with the direction of shear as volume fraction and shear rate increase

Investigating Adsorption of Cellulose Nanocrystals at Air–Liquid and Substrate–Liquid Interfaces after pH Manipulation

Coatings of anisotropic nanoparticles such as cellulose nanocrystals (CNCs) can provide tuneable physicochemical surface properties to a substrate such as modifying wettability. These coatings are often formed using dip coating, with CNCs enriched at the air–water interface transferred to a substrate as a monolayer. This process is commonly facilitated by surfactants, which can remain present in the final product, affecting coating properties. In this work, an “additive free” method for creating CNC coatings by exploiting electrostatic interactions within the pH window between pH 2–4 is demonstrated. Within this pH window, the air–water interface is positively charged and CNCs are negatively charged, with surface pressure tensiometry, X-ray reflectivity, and Brewster angle microscopy indicating that CNCs are driven to the air–water interface. The optimal condition for monolayer coverage was pH 3; at pH 2 charge screening causes localized flocculation at the air–water interface, and at pH 4 interparticle repulsion leads to incomplete, patchy coverage. These findings successfully translate to dip coated CNC monolayers as characterized by atomic force microscopy, showing that the manipulation of pH can facilitate the surfactant-free dip coating of CNCs, with advantages over the surfactants that are more typically used

M6P/IGF2R loss of heterozygosity in head and neck cancer associated with poor patient prognosis

BACKGROUND: The mannose 6-phosphate/insulin-like growth factor 2 receptor (M6P/IGF2R) encodes for a multifunctional receptor involved in lysosomal enzyme trafficking, fetal organogenesis, cytotoxic T cell-induced apoptosis and tumor suppression. The purpose of this investigation was to determine if the M6P/IGF2R tumor suppressor gene is mutated in human head and neck cancer, and if allelic loss is associated with poor patient prognosis. METHODS: M6P/IGF2R loss of heterozygosity in locally advanced squamous cell carcinoma of the head and neck was assessed with six different gene-specific nucleotide polymorphisms. The patients studied were enrolled in a phase 3 trial of twice daily radiotherapy with or without concurrent chemotherapy; median follow-up for surviving patients is 76 months. RESULTS: M6P/IGF2R was polymorphic in 64% (56/87) of patients, and 54% (30/56) of the tumors in these informative patients had loss of heterozygosity. M6P/IGF2R loss of heterozygosity was associated with a significantly reduced 5 year relapse-free survival (23% vs. 69%, p = 0.02), locoregional control (34% vs. 75%, p = 0.03) and cause specific survival (29% vs. 75%, p = 0.02) in the patients treated with radiotherapy alone. Concomitant chemotherapy resulted in a better outcome when compared to radiotherapy alone only in those patients whose tumors had M6P/IGF2R loss of heterozygosity. CONCLUSIONS: This study provides the first evidence that M6P/IGF2R loss of heterozygosity predicts for poor therapeutic outcome in patients treated with radiotherapy alone. Our findings also indicate that head and neck cancer patients with M6P/IGF2R allelic loss benefit most from concurrent chemotherapy

Elemental and configural olfactory coding by antennal lobe neurons of the honeybee (Apis mellifera)

When smelling an odorant mixture, olfactory systems can be analytical (i.e. extract information about the mixture elements) or synthetic (i.e. creating a configural percept of the mixture). Here, we studied elemental and configural mixture coding in olfactory neurons of the honeybee antennal lobe, local neurons in particular. We conducted intracellular recordings and stimulated with monomolecular odorants and their coherent or incoherent binary mixtures to reproduce a temporally dynamic environment. We found that about half of the neurons responded as ‘elemental neurons’, i.e. responses evoked by mixtures reflected the underlying feature information from one of the components. The other half responded as ‘configural neurons’, i.e. responses to mixtures were clearly different from responses to their single components. Elemental neurons divided in late responders (above 60 ms) and early responder neurons (below 60 ms), whereas responses of configural coding neurons concentrated in-between these divisions. Latencies of neurons with configural responses express a tendency to be faster for coherent stimuli which implies employment in different processing circuits

Cancer initiation and progression: an unsimplifiable complexity

BACKGROUND: Cancer remains one of the most complex diseases affecting humans and, despite the impressive advances that have been made in molecular and cell biology, how cancer cells progress through carcinogenesis and acquire their metastatic ability is still widely debated. CONCLUSION: There is no doubt that human carcinogenesis is a dynamic process that depends on a large number of variables and is regulated at multiple spatial and temporal scales. Viewing cancer as a system that is dynamically complex in time and space will, however, probably reveal more about its underlying behavioural characteristics. It is encouraging that mathematicians, biologists and clinicians continue to contribute together towards a common quantitative understanding of cancer complexity. This way of thinking may further help to clarify concepts, interpret new and old experimental data, indicate alternative experiments and categorize the acquired knowledge on the basis of the similarities and/or shared behaviours of very different tumours

Protocol for investigating genetic determinants of posttraumatic stress disorder in women from the Nurses' Health Study II

<p>Abstract</p> <p>Background</p> <p>One in nine American women will meet criteria for the diagnosis of posttraumatic stress disorder (PTSD) in their lifetime. Although twin studies suggest genetic influences account for substantial variance in PTSD risk, little progress has been made in identifying variants in specific genes that influence liability to this common, debilitating disorder.</p> <p>Methods and design</p> <p>We are using the unique resource of the Nurses Health Study II, a prospective epidemiologic cohort of 68,518 women, to conduct what promises to be the largest candidate gene association study of PTSD to date. The entire cohort will be screened for trauma exposure and PTSD; 3,000 women will be selected for PTSD diagnostic interviews based on the screening data. Our nested case-control study will genotype1000 women who developed PTSD following a history of trauma exposure; 1000 controls will be selected from women who experienced similar traumas but did not develop PTSD.</p> <p>The primary aim of this study is to detect genetic variants that predict the development of PTSD following trauma. We posit inherited vulnerability to PTSD is mediated by genetic variation in three specific neurobiological systems whose alterations are implicated in PTSD etiology: the hypothalamic-pituitary-adrenal axis, the locus coeruleus/noradrenergic system, and the limbic-frontal neuro-circuitry of fear. The secondary, exploratory aim of this study is to dissect genetic influences on PTSD in the broader genetic and environmental context for the candidate genes that show significant association with PTSD in detection analyses. This will involve: conducting conditional tests to identify the causal genetic variant among multiple correlated signals; testing whether the effect of PTSD genetic risk variants is moderated by age of first trauma, trauma type, and trauma severity; and exploring gene-gene interactions using a novel gene-based statistical approach.</p> <p>Discussion</p> <p>Identification of liability genes for PTSD would represent a major advance in understanding the pathophysiology of the disorder. Such understanding could advance the development of new pharmacological agents for PTSD treatment and prevention. Moreover, the addition of PTSD assessment data will make the NHSII cohort an unparalleled resource for future genetic studies of PTSD as well as provide the unique opportunity for the prospective examination of PTSD-disease associations.</p

Inflammatory cell-mediated tumour progression and minisatellite mutation correlate with the decrease of antioxidative enzymes in murine fibrosarcoma cells

We isolated six clones of weakly tumorigenic fibrosarcoma (QR) from the tumorigenic clone BMT-11 cl-9. The QR clones were unable to grow in normal C57BL/6 mice when injected s.c. (1 × 105 cells). However, they formed aggressive tumours upon co-implantation with a ‘foreign body’, i.e. a gelatin sponge, and the rate of tumour take ranged from 8% to 58% among QR clones. The enhanced tumorigenicity was due to host cell-mediated reaction to the gelatin sponge (inflammation). Immunoblot analysis and enzyme activity assay revealed a significant inverse correlation between the frequencies of tumour formation by QR clones and the levels of manganese superoxide dismutase (Mn-SOD, P<0.005) and glutathione peroxidase (GPχ, P<0.01) in the respective tumour clones. Electron spin resonance (ESR) revealed that superoxide-scavenging ability of cell lysates of the QR clone with high level of Mn-SOD was significantly higher than that with low level of the antioxidative enzyme in the presence of potassium cyanide, an inhibitor for copper–zinc superoxide dismutase (CuZn-SOD) (P<0.001). Minisatellite mutation (MSM) induced by the inflammatory cells in tumour cells were investigated by DNA fingerprint analysis after QR clones had been co-cultured with gelatin-sponge-reactive cells. The MSM rate was significantly higher in the subclones with low levels of Mn-SOD and GPχ (P<0.05) than in the subclones with high levels of both enzymes. The MSM of the subclones with low levels of both enzymes was inhibited in the presence of mannitol, a hydroxyl radical scavenger. The content of 8-hydroxydeoxyguanosine (8-OHdG) by which the cellular DNA damage caused by active oxygen species can be assessed was significantly low in the tumours arising from the QR clone with high levels of Mn-SOD and GPχ even if the clone had been co-implanted with gelatin sponge, compared with the arising tumour from the QR clone with low levels of those antioxidative enzymes (P<0.001). In contrast, CuZn-SOD and catalase levels in the six QR clones did not have any correlation with tumour progression parameters. These results suggest that tumour progression is accelerated by inflammation-induced active oxygen species particularly accompanied with declined levels of intracellular antioxidative enzymes in tumour cells. © 1999 Cancer Research Campaig