Diisononyl phthalate – organics interactions : a phase equilibrium study using modified UNIFAC models

Volatile organic compounds (VOCs) are a series of organic compounds that readily vaporize at room temperature. When emitted into the environment can affect climate change and plants growth, and cause long term human health risks. Absorption abatement technique has been the most preferred to reduce VOCs from contaminated gaseous streams, hence the need for a polymeric solvent with a greater affinity for end-pipe inventory. This phase equilibrium study investigated the ability of diisononyl phthalate (DINP) as an absorbent to 80 selected VOCs at infinite dilution. The solvent-solute(s) interactions were studied using modified UNIFAC Lyngby and Dortmund group contribution methods, with the latter being consistent and reliable, as its results are related to literature. Alkanes, alkanes, aldehydes and cyclo-alkanes with shorter carbon-chain length are highly soluble in DINP, with their solubility decreasing with increasing molecular weight or size, at infinite dilution. Alkynes, ketones, alcohols and carboxylic acids are less soluble in DINP, as a result of their dominating polarity compared to the DINP non-polarity structure. However, results could be improved with further studies and publication of solvent-solute(s) sub-groups interaction parameters, and thus further development of modified UNIFAC Lyngby model. DINP is a good absorbent for short-chained non-polar VOCs

Vegetal diamine oxidase alleviates histamine-induced contraction of colonic muscles

Excess of histamine in gut lumen generates a pronounced gastrointestinal discomfort, which may include diarrhea and peristalsis dysfunctions. Deleterious effects of histamine can be alleviated with antihistamine drugs targeting histamine receptors. However, many antihistamine agents come with various undesirable side effects. Vegetal diamine oxidase (vDAO) might be a relevant alternative owing to its histaminase activity. Mammalian intestinal mucosa contains an endogenous DAO, yet possessing lower activity compared to that of vDAO preparation. Moreover, in several pathological conditions such as inflammatory bowel disease and irritable bowel syndrome, this endogenous DAO enzyme can be lost or inactivated. Here, we tested the therapeutic potential of vDAO by focusing on the well-known effect of histamine on gut motility. Using ex vivo and in vitro assays, we found that vDAO is more potent than commercial anti-histamine drugs at inhibiting histamine-induced contraction of murine distal colon muscles. We also identified pyridoxal 5′-phosphate (the biologically active form of vitamin B6) as an effective enhancer of vDAO antispasmodic activity. Furthermore, we discovered that rectally administered vDAO can be retained on gut mucosa and remain active. These observations make administration of vDAO in the gut lumen a valid alternative treatment for histamine-induced intestinal dysfunctions

A service-oriented architecture for integrating the modeling and formal verification of genetic regulatory networks

<p>Abstract</p> <p>Background</p> <p>The study of biological networks has led to the development of increasingly large and detailed models. Computer tools are essential for the simulation of the dynamical behavior of the networks from the model. However, as the size of the models grows, it becomes infeasible to manually verify the predictions against experimental data or identify interesting features in a large number of simulation traces. Formal verification based on temporal logic and model checking provides promising methods to automate and scale the analysis of the models. However, a framework that tightly integrates modeling and simulation tools with model checkers is currently missing, on both the conceptual and the implementational level.</p> <p>Results</p> <p>We have developed a generic and modular web service, based on a service-oriented architecture, for integrating the modeling and formal verification of genetic regulatory networks. The architecture has been implemented in the context of the qualitative modeling and simulation tool G<smcaps>NA</smcaps> and the model checkers N<smcaps>U</smcaps>SMV and C<smcaps>ADP</smcaps>. G<smcaps>NA</smcaps> has been extended with a verification module for the specification and checking of biological properties. The verification module also allows the display and visual inspection of the verification results.</p> <p>Conclusions</p> <p>The practical use of the proposed web service is illustrated by means of a scenario involving the analysis of a qualitative model of the carbon starvation response in <it>E. coli</it>. The service-oriented architecture allows modelers to define the model and proceed with the specification and formal verification of the biological properties by means of a unified graphical user interface. This guarantees a transparent access to formal verification technology for modelers of genetic regulatory networks.</p

A model of inversion of DNA charge by a positive polymer: fractionization of the polymer charge

Charge inversion of a DNA double helix by an oppositely charged flexible polyelectrolyte (PE) is considered. We assume that, in the neutral state of the DNA-PE complex, each of the DNA charges is locally compensated by a PE charge. When an additional PE molecule is adsorbed by DNA, its charge gets fractionized into monomer charges of defects (tails and arches) on the background of the perfectly neutralized DNA. These charges spread all over the DNA eliminating the self-energy of PE. This fractionization mechanism leads to a substantial inversion of the DNA charge, a phenomenon which is widely used for gene delivery.Comment: 4 pages, 2 figures. Improved figures and various corrections to tex

Unambiguous 1-Uniform Morphisms

A morphism h is unambiguous with respect to a word w if there is no other morphism g that maps w to the same image as h. In the present paper we study the question of whether, for any given word, there exists an unambiguous 1-uniform morphism, i.e., a morphism that maps every letter in the word to an image of length 1.Comment: In Proceedings WORDS 2011, arXiv:1108.341

Conformation of a Polyelectrolyte Complexed to a Like-Charged Colloid

We report results from a molecular dynamics (MD) simulation on the conformations of a long flexible polyelectrolyte complexed to a charged sphere, \textit{both negatively charged}, in the presence of neutralizing counterions in the strong Coulomb coupling regime. The structure of this complex is very sensitive to the charge density of the polyelectrolyte. For a fully charged polyelectrolyte the polymer forms a dense two-dimensional "disk", whereas for a partially charged polyelectrolyte the monomers are spread over the colloidal surface. A mechanism involving the \textit{overcharging} of the polyelectrolyte by counterions is proposed to explain the observed conformations.Comment: 4 pages, 4 figures (6 EPS files

Black Sea coastal forecasting system

The Black Sea coastal nowcasting and forecasting system was built within the framework of EU FP6 ECOOP (European COastalshelf sea OPerational observing and forecasting system) project for five regions: the south-western basin along the coasts of Bulgaria and Turkey, the north-western shelf along the Romanian and Ukrainian coasts, coastal zone around of the Crimea peninsula, the north-eastern Russian coastal zone and the coastal zone of Georgia. The system operates in the real-time mode during the ECOOP project and afterwards. The forecasts include temperature, salinity and current velocity fields. Ecosystem model operates in the off-line mode near the Crimea coast

Algebraic Principles for Rely-Guarantee Style Concurrency Verification Tools

We provide simple equational principles for deriving rely-guarantee-style inference rules and refinement laws based on idempotent semirings. We link the algebraic layer with concrete models of programs based on languages and execution traces. We have implemented the approach in Isabelle/HOL as a lightweight concurrency verification tool that supports reasoning about the control and data flow of concurrent programs with shared variables at different levels of abstraction. This is illustrated on two simple verification examples

Expanded binding specificity of the human histone chaperone NASP

NASP (nuclear autoantigenic sperm protein) has been reported to be an H1-specific histone chaperone. However, NASP shares a high degree of sequence similarity with the N1/N2 family of proteins, whose members are H3/H4-specific histone chaperones. To resolve this paradox, we have performed a detailed and quantitative analysis of the binding specificity of human NASP. Our results confirm that NASP can interact with histone H1 and that this interaction occurs with high affinity. In addition, multiple in vitro and in vivo experiments, including native gel electrophoresis, traditional and affinity chromatography assays and surface plasmon resonance, all indicate that NASP also forms distinct, high specificity complexes with histones H3 and H4. The interaction between NASP and histones H3 and H4 is functional as NASP is active in in vitro chromatin assembly assays using histone substrates depleted of H1

Analysis and Verification of Service Interaction Protocols - A Brief Survey

Modeling and analysis of interactions among services is a crucial issue in Service-Oriented Computing. Composing Web services is a complicated task which requires techniques and tools to verify that the new system will behave correctly. In this paper, we first overview some formal models proposed in the literature to describe services. Second, we give a brief survey of verification techniques that can be used to analyse services and their interaction. Last, we focus on the realizability and conformance of choreographies.Comment: In Proceedings TAV-WEB 2010, arXiv:1009.330