Open Literature (open + literature)

Distribution by Scientific Domains
Distribution within Chemistry


Selected Abstracts


Sodium Borohydride Hydrolysis as Hydrogen Generator: Issues, State of the Art and Applicability Upstream from a Fuel Cell

FUEL CELLS, Issue 3 2010
U. B. Demirci
Abstract Today there is a consensus regarding the potential of NaBH4 as a good candidate for hydrogen storage and release via hydrolysis reaction, especially for mobile, portable and niche applications. However as gone through in the present paper two main issues, which are the most investigated throughout the open literature, still avoid NaBH4 to be competitive. The first one is water handling. The second one is the catalytic material used to accelerate the hydrolysis reaction. Both issues are objects of great attentions as it can be noticed throughout the open literature. This review presents and discusses the various strategies which were considered until now by many studies to manage water and to improve catalysts performances (reactivity and durability). Published studies show real improvements and much more efforts might lead to significant overhangs. Nevertheless, the results show that we are still far from envisaging short-term commercialisation. [source]


The effect of jet array arrangement on the flow characteristics of the outlet hole in short confined channels

HEAT TRANSFER - ASIAN RESEARCH (FORMERLY HEAT TRANSFER-JAPANESE RESEARCH), Issue 1 2008
Liu Haiyong
Abstract This experimental study is part of the research program related to the aerodynamic characteristics of impingement in a confined channel. Experimental research on better understanding flow structure in confined channel with impingement cooling is rarely found in open literature. The main purposes of this project are (1) gaining greater insight into the structure of the impingement jet flow and flow in the outlet hole; (2) understanding the effect of impingement hole arrangement build up on the flow structure and aerodynamic parameters within holes and channels with different aspect ratios. The test models are two confined channels with three staggered circular jet holes, and a single large size outlet hole placed downstream of the jet plate. The structure parameters of these orifices are different. In this paper, detailed flow field in the outlet hole was measured with a straight five-hole probe, and the discharge coefficient of outlet holes with different aspect ratios was also studied in each channel. Experimental data shows that the jet arrangement has little influence on the flow behavior of the outlet hole when the aspect ratio of the passage was 1, but it played an important role on the discharge coefficient. Distinctively different flow patterns were found in two models with the aspect ratios of 3 and 5, while the variation of the discharge coefficient showed a slight influence on impingement hole arrangement. © 2007 Wiley Periodicals, Inc. Heat Trans Asian Res, 37(1): 20,28, 2008; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20188 [source]


A new modification of the immersed-boundary method for simulating flows with complex moving boundaries

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 11 2006
Jian Deng
Abstract In this paper, a new immersed-boundary method for simulating flows over complex immersed, moving boundaries is presented. The flow is computed on a fixed Cartesian mesh and the solid boundaries are allowed to move freely through the mesh. The present method is based on a finite-difference approach on a staggered mesh together with a fractional-step method. It must be noted that the immersed boundary is generally not coincident with the position of the solution variables on the grid, therefore, an appropriate strategy is needed to construct a relationship between the curved boundary and the grid points nearby. Furthermore, a momentum forcing is added on the body boundaries and also inside the body to satisfy the no-slip boundary condition. The immersed boundary is represented by a series of interfacial markers, and the markers are also used as Lagrangian forcing points. A linear interpolation is then used to scale the Lagrangian forcing from the interfacial markers to the corresponding grid points nearby. This treatment of the immersed-boundary is used to simulate several problems, which have been validated with previous experimental results in the open literature, verifying the accuracy of the present method. Copyright © 2006 John Wiley & Sons, Ltd. [source]


Prediction of unsteady, separated boundary layer over a blunt body for laminar, turbulent, and transitional flow

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 12 2004
D. Scott Holloway
Abstract The focus of this paper is to study the ability of unsteady RANS-based CFD to predict separation over a blunt body for a wide range of Reynolds numbers particularly the ability to capture laminar-to-turbulent transition. A perfect test case to demonstrate this point is the cylinder-in-crossflow for which a comparison between experimental results from the open literature and a series of unsteady simulations is made. Reynolds number based on cylinder diameter is varied from 104 to 107 (subcritical through supercritical flow). Two methods are used to account for the turbulence in the simulations: currently available eddy,viscosity models, including standard and realizable forms of the k,, model; and a newly developed eddy,viscosity model capable of resolving boundary layer transition, which is absolutely necessary for the type and range of flow under consideration. The new model does not require user input or ,empirical' fixes to force transition. For the first time in the open literature, three distinct flow regimes and the drag crisis due to the downstream shift of the separation point are predicted using an eddy,viscosity based model with transition effects. Discrepancies between experimental and computational results are discussed, and difficulties for CFD prediction are highlighted. Copyright © 2004 John Wiley & Sons, Ltd. [source]


A new second-moment closure approach for turbulent swirling confined flows

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 2 2003
Pisi Lu
Abstract An improved anisotropic model for the dissipation rate,,,of the turbulent kinetic energy (k), to be used together with a non-linear pressure-strain correlations model, is proposed. Experimental data from the open literature for two confined turbulent swirling flows are used to assess the performance of the proposed model in comparison to the standard , transport equation and to a linear approach to model the pressure-strain term that appears in the exact equations for the Reynolds-stress tensor. For the less strongly swirling flow the predictions show much more sensitivity to the ,transport equation than to the pressure-strain model. In opposition, for the more strongly swirling flow, the results show that the predictions are much sensitive to the pressure-strain model. Nevertheless, the improved ,transport equation together with the non-linear pressure strain model yield predictions in good agreement with experiments in both studied cases. Copyright © 2003 John Wiley & Sons, Ltd. [source]


Kinetic modeling of aqueous phenol degradation by UV/H2O2 process

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 1 2008
Maryam Edalatmanesh
A dynamic kinetic model for the oxidation of phenol in water by an UV/H2O2 process is developed. The model is based on the elementary chemical and photochemical reactions, initiated by the photolysis of hydrogen peroxide into hydroxyl radicals. The model is validated by using experimental data obtained from the open literature for an actual UV/H2O2 process. Using those data and the developed kinetic model, kinetic rate constants for phenol intermediates, catechol and hydroquinone, are estimated. Moreover, the optimum initial hydrogen peroxide concentration is estimated by means of the validated model. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 40: 34,43, 2008 [source]


Joint packet scheduling and dynamic base station assignment for CDMA data networks

INTERNATIONAL JOURNAL OF COMMUNICATION SYSTEMS, Issue 2 2008
Christian Makaya
Abstract In current code division multiple access (CDMA) based wireless systems, a base station (BS) schedules packets independently of its neighbours, which may lead to resource wastage and the degradation of the system's performance. In wireless networks, in order to achieve an efficient packet scheduling, there are two conflicting performance metrics that have to be optimized: throughput and fairness. Their maximization is a key goal, particularly in next-generation wireless networks. This paper proposes joint packet scheduling and BS assignment schemes for a cluster of interdependent neighbouring BSs in CDMA-based wireless networks, in order to enhance the system performance through dynamic load balancing. The proposed schemes are based on sector subdivision in terms of average required resource per mobile station and utility function approach. The fairness is achieved by minimizing the variance of the delay for the remaining head-of-queue packets. Inter-cell and intra-cell interferences from scheduled packets are also minimized in order to increase the system capacity and performance. The simulation results show that our proposed schemes perform better than existing schemes available in the open literature. Copyright © 2007 John Wiley & Sons, Ltd. [source]


On the effect of the local turbulence scales on the mixing rate of diffusion flames: assessment of two different combustion models

INTERNATIONAL JOURNAL OF ENERGY RESEARCH, Issue 10 2002
Jose Lopes
Abstract A mathematical model for the prediction of the turbulent flow, diffusion combustion process, heat transfer including thermal radiation and pollutants formation inside combustion chambers is described. In order to validate the model the results are compared herein against experimental data available in the open literature. The model comprises differential transport equations governing the above-mentioned phenomena, resulting from the mathematical and physical modelling, which are solved by the control volume formulation technique. The results yielded by the two different turbulent-mixing physical models used for combustion, the simple chemical reacting system (SCRS) and the eddy break-up (EBU), are analysed so that the need to make recourse to local turbulent scales to evaluate the reactants' mixing rate is assessed. Predictions are performed for a gaseous-fuelled combustor fired with two different burners that induce different aerodynamic conditions inside the combustion chamber. One of the burners has a typical geometry of that used in gaseous fired boilers,fuel firing in the centre surrounded by concentric oxidant firing,while the other burner introduces the air into the combustor through two different swirling concentric streams. Generally, the results exhibit a good agreement with the experimental values. Also, NO predictions are performed by a prompt-NO formation model used as a post-processor together with a thermal-NO formation model, the results being generally in good agreement with the experimental values. The predictions revealed that the mixture between the reactants occurred very close to the burner and almost instantaneously, that is, immediately after the fuel-containing eddies came into contact with the oxidant-containing eddies. As a result, away from the burner, the SCRS model, that assumes an infinitely fast mixing rate, appeared to be as accurate as the EBU model for the present predictions. Closer to the burner, the EBU model, that establishes the reactants mixing rate as a function of the local turbulent scales, yielded slightly slower rates of mixture, the fuel and oxidant concentrations which are slightly higher than those obtained with the SCRS model. As a consequence, the NO concentration predictions with the EBU combustion model are generally higher than those obtained with the SCRS model. This is due to the existence of higher concentrations of fuel and oxygen closer to the burner when predictions were performed taking into account the local turbulent scales in the mixing process of the reactants. The SCRS, being faster and as accurate as the EBU model in the predictions of combustion properties appears to be more appropriate. However, should NO be a variable that is predicted, then the EBU model becomes more appropriate. This is due to the better results of oxygen concentration yielded by that model, since it solves a transport equation for the oxidant concentration, which plays a dominant role in the prompt-NO formation rate. Copyright © 2002 John Wiley & Sons, Ltd. [source]


Visualization of the foaming mechanism of polyethylene blown by chemical blowing agents under ambient pressure

ADVANCES IN POLYMER TECHNOLOGY, Issue 4 2007
Remon Pop-Iliev
Abstract Understanding the fundamental mechanisms that govern the foaming process is the most essential universal prerequisite for developing effective processing strategies for fabricating high-quality foamed plastic products using any type of foaming technology. Despite chemically blown foaming of thermoplastics under atmospheric pressure has been successfully implemented in rotational foam molding over the last decade, the related open literature does not provide substantial research addressing the fundamentals of this unique foaming mechanism. The present study focuses on clarifying the fundamental foaming mechanisms that govern the successful manufacture of thermoplastic foams using a chemical blowing agent under low-pressure (atmospheric) conditions. The presented research is mainly based on observing a series of visualization experiments conducted using a custom-made visualization system including an optical microscope and a computerized CCD camera imaging system, which was utilized for investigating the behavior of foamable polyethylene samples prepared by using the compression-molding method. © 2008 Wiley Periodicals, Inc. Adv Polym Techn 26:213,222, 2007; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/adv.20102 [source]


Experimental problems in the application of UV/visible based methods as the quantification tool for the entrapped/released insulin from PLGA carriers

JOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 9 2009
V.L. Lassalle
Abstract BACKGROUND: Controlled release of medicaments from biodegradable polymers remains the most convenient way for their sustained release. Although a number of articles have been published, experimental work involving the preparation of polymer-based carriers and release procedures are not described with sufficient level of detail to allow other researchers to reproduce the experiments and to compare published results with their own. In this contribution the experimental background of the entrapment and release of insulin from PLGA carriers is described and the problems found at each step related to UV/Visible method used to quantify them are addressed in detail. RESULTS: The quantification of entrapped insulin by UV/visible methods was affected by aggregation. The design of the release experiment influenced the results regarding the entrapment efficiency (EE) and the maximum percentage of released insulin. It was also found that the presence of colloidal polymeric particles, insufficient centrifugation times and the kind of solvent used in the release test might lead to mistakes in the percentage of liberated insulin when UV/visible based methods are employed. CONCLUSIONS: This contribution demonstrates that serious discrepancies in the EE and percentage of released protein may arise if some key experimental factors are not taken into account. Therefore, the analysis presented here tries to point out important aspects of this topic currently not reported, unnoticed or not properly analyzed in the open literature. The results are useful for the entrapment of any protein on any polymeric device using UV/visible based methods to quantify them. Copyright © 2009 Society of Chemical Industry [source]


SIMULATION OF THIN-FILM DEODORIZERS IN PALM OIL REFINING

JOURNAL OF FOOD PROCESS ENGINEERING, Issue 2010
ROBERTA CERIANI
ABSTRACT As the need for healthier fats and oils (natural vitamin and trans fat contents) and interest in biofuels are growing, many changes in the world's vegetable oil market are driving the oil industry to developing new technologies and recycling traditional ones. Computational simulation is widely used in the chemical and petrochemical industries as a tool for optimization and design of (new) processes, but that is not the case for the edible oil industry. Thin-film deodorizers are novel equipment developed for steam deacidification of vegetable oils, and no work on the simulation of this type of equipment could be found in the open literature. This paper tries to fill this gap by presenting results from the study of the effect of processing variables, such as temperature, pressure and percentage of stripping steam, in the final quality of product (deacidified palm oil) in terms of final oil acidity, the tocopherol content and neutral oil loss. The simulation results have been evaluated by using the response surface methodology. The model generated by the statistical analysis for tocopherol retention has been validated by matching its results with industrial data published in the open literature. PRACTICAL APPLICATIONS This work is a continuation of our previous works (Ceriani and Meirelles 2004a, 2006; Ceriani et al. 2008), dealing with the simulation of continuous deodorization and/or steam deacidification for a variety of vegetable oils using stage-wised columns, and analyzing both the countercurrent and the cross-flow patterns. In this work, we have studied thin-film deodorizers, which are novel equipment developed for steam deacidification of vegetable oils. Here, we highlight issues related to final oil product quality and the corresponding process variables. [source]


Evaluation of correlation forecasting models for risk management

JOURNAL OF FORECASTING, Issue 7 2007
Vasiliki D. Skintzi
Abstract Reliable correlation forecasts are of paramount importance in modern risk management systems. A plethora of correlation forecasting models have been proposed in the open literature, yet their impact on the accuracy of value-at-risk calculations has not been explicitly investigated. In this paper, traditional and modern correlation forecasting techniques are compared using standard statistical and risk management loss functions. Three portfolios consisting of stocks, bonds and currencies are considered. We find that GARCH models can better account for the correlation's dynamic structure in the stock and bond portfolios. On the other hand, simpler specifications such as the historical mean model or simple moving average models are better suited for the currency portfolio.,,Copyright © 2007 John Wiley & Sons, Ltd. [source]


Advancement of Fischer-Tropsch synthesis via utilization of supercritical fluid reaction media

AICHE JOURNAL, Issue 4 2010
Nimir O. Elbashir
Abstract The Fischer Tropsch Synthesis (FTS) reaction has been studied and for nearly a century for the production of fuels and chemicals from nonpetroleum sources. Research and utilization have occurred in both gas phase (fixed bed) and liquid phase (slurry bed) operation. The use of supercritical fluids as the reaction media for FTS (SCF-FTS) now has a 20-year history. Although a great deal of progress in SCF-FTS has been made on the lab scale, this process has yet to be expanded to pilot or industrial scale. This article reviews the research activities involving supercritical FTS and published in open literature from 1989 to 2008. © 2009 American Institute of Chemical Engineers AIChE J, 2010 [source]


Multi-component analysis: blind extraction of pure components mass spectra using sparse component analysis

JOURNAL OF MASS SPECTROMETRY (INCORP BIOLOGICAL MASS SPECTROMETRY), Issue 9 2009
Ivica Kopriva
Abstract The paper presents sparse component analysis (SCA)-based blind decomposition of the mixtures of mass spectra into pure components, wherein the number of mixtures is less than number of pure components. Standard solutions of the related blind source separation (BSS) problem that are published in the open literature require the number of mixtures to be greater than or equal to the unknown number of pure components. Specifically, we have demonstrated experimentally the capability of the SCA to blindly extract five pure components mass spectra from two mixtures only. Two approaches to SCA are tested: the first one based on ,1 norm minimization implemented through linear programming and the second one implemented through multilayer hierarchical alternating least square nonnegative matrix factorization with sparseness constraints imposed on pure components spectra. In contrast to many existing blind decomposition methods no a priori information about the number of pure components is required. It is estimated from the mixtures using robust data clustering algorithm together with pure components concentration matrix. Proposed methodology can be implemented as a part of software packages used for the analysis of mass spectra and identification of chemical compounds. Copyright © 2009 John Wiley & Sons, Ltd. [source]


Determination of the equilibrium constant for the reaction between bisphenol A and diphenyl carbonate

JOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 1 2002
Stephen M. Gross
Abstract Despite the industrial significance of poly(bisphenol A carbonate), there is a scarcity of open literature on the equilibrium of the melt-phase process. In fact, the equilibrium constant (Keq) for this reaction has never been measured directly. This article describes a process on the basis of NMR for the measurement of Keq for the reaction between bisphenol A and diphenyl carbonate in the presence and absence of a catalyst. The apparent enthalpy and entropy were calculated using a van't Hoff plot. Decomposition of bisphenol A is a common side reaction in the melt-phase reaction performed at high temperatures in the presence of catalyst. The effect of these side reactions on the Keq in the presence of catalyst is determined. © 2001 John Wiley & Sons, Inc. J Polym Sci Part A: Polym Chem 40: 171,178, 2002 [source]


From Chelating Precursor to Perovskite Oxides and Hollow Fiber Membranes

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 1 2007
S. Liu
Perovskite Ba0.5Sr0.5Co0.8Fe0.2O3-, (BSCF) is a promising mixed-conducting ceramic membrane material in addition to being a good electrode catalyst for solid oxide fuel cells. In this study, BSCF powder was synthesized via a chelated water-soluble complex method at relatively low temperatures. The combined ethylenediaminetetraacetic acid and citric acid was used for the synthesis of a complex-based precursor, followed by thermal decomposition of the precursor at high temperatures. Thermal behavior, crystal phases, and structures of the prepared powders were characterized by thermogravimetric analysis/differential scanning calorimetry, XRD, and scanning electron microscopic (SEM) techniques, respectively. Pure and single-phase perovskite could be obtained after sintering at a temperature higher than 800°C for 5 h. The soft precursor powder synthesized at lower temperatures, i.e., 600°C, is water insoluble and more appropriate for use as a membrane material to prepare gas-tight tubular or hollow fiber ceramic membranes. By contrast, the hollow fibers prepared via the traditional techniques where the perovskite powder is used as the starting membrane materials display gas leakage. The fibers were characterized by SEM, XRD, and tested for air separation at ambient pressure and temperatures between 700° and 950°C. The oxygen flux measured in this work reached 3.90 mL·(min·cm2),1 and compares favorably with any experimental values reported in the open literature. [source]


Model Development in Thermal Styrene Polymerization

MACROMOLECULAR SYMPOSIA, Issue 1 2007
Bryan Matthews
Abstract Summary: The thermal polymerization of styrene is usually modeled by relying on a reaction scheme and a set of equations that were developed more than three decades ago by Hui and Hamielec. Many detailed models of styrene polymerization are available in the open literature and they are mostly based on the work of Hui and Hamielec, which nearly makes this the standard to follow in explaining the behavior of polystyrene reactors. The model of Hui and Hamielec does a very nice job of describing monomer conversion data but discrepancies are seen between observed and predicted values of number and weight average molecular weights, Mn and Mw. Discrepancies in number average molecular weight seem to be the result of random noise. Discrepancies in weight average molecular weight grow as the polymerization temperature decreases and some of the trends observed in the residuals over the entire temperature range cannot be attributed to random noise. Hui and Hamielec attributed the observed deficiencies to a standard deviation of ±10% in their GPC measurements. A new data set with an experimental error of 2% for average molecular weights is presented. The set contains measured values of Mn, Mw and Mz, so the polymerization scheme has been extended to include third order moments. The data set also includes the effect of ethylbenzene as a chain transfer agent. We present the results of comparing model predictions to our measurements and the adjustments made in the original set of kinetic parameters published by Hui and Hamielec. [source]


Crystal Shape Characterisation of Dry Samples using Microscopic and Dynamic Image Analysis

PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, Issue 4 2009
Kumar Patchigolla
Abstract A standard method to determine particle shape and size is by image analysis. This paper addresses microscopic image analysis (semi-automated) investigations of two different organic crystalline chemicals generated by batch cooling crystallisation. The results generated from microscopic image analysis were compared with data obtained by dynamic image analysis (automated) because very few contributions are available in the open literature. The chemical systems were polymorphic L-glutamic acid which crystallises into , (prismatic) or , (needle) form and the non-polymorphic mono sodium glutamate which crystallises into needles. The images from these techniques were processed to generate information on crystal shape and size. It has been observed that shape effects can distort the size obtained in size characterization studies. In this study, comparisons were made of processing time, number of crystals and accuracy between microscopic and dynamic image analysis. For representative microscopic image analysis, 5000 crystals were analysed in an average of eight hours while several hundred thousand crystals were processed using dynamic image analysis within 15 minutes. Using the parameters D10, D50, D90, span and aspect ratio for statistical comparison, it was found that the results obtained for D50 by the two techniques were comparable and in accordance with other measurements (laser diffraction spectroscopy and ultrasonic attenuation spectroscopy) even though these non-spherical particles had different orientations during measurement by the two methods. However, substantial differences in span of the distribution and aspect ratio were returned by the two techniques. [source]


Inactivation of Virulent Burkholderia pseudomallei by Sunlight

PHOTOCHEMISTRY & PHOTOBIOLOGY, Issue 4 2009
Jose-Luis Sagripanti
The goal of this study was to determine the sensitivity of virulent Burkholderia pseudomallei to natural sunlight. We describe solar dosimetry calibrated to integrate radiation between 295 and 305 nm and an exposure system that minimizes thermal effects on bacterial cells. Burkholderia pseudomallei cells were either exposed to sunlight in UV transparent dishes or maintained in the dark covered by opaque foil. The cells maintained in the dark remained at constant levels for the duration of all experiments. The exposed cells nearby were killed with a kinetic studied through 5 Log10 inactivation. We found that cells in stationary phase of growth were nearly two-fold more resistant to sunlight than cells in lag or exponential growth. A virulent strain of B. pseudomallei that produced mucoid colonies showed sensitivity to sunlight similar to both a virulent strain that produced nonmucoid colonies and a strain of B. thailandensis. The inactivation of B. pseudomallei by sunlight in different types of water of environmental relevance or inside amoebae was investigated. The sensitivity of virulent B. pseudomallei was calculated and its comparison with previous studies employing monochromatic germicidal light (254 nm) is discussed. This may be the first report in the open literature of the inactivation of a virulent biological threat agent by natural sunlight. These data should assist in estimating the risk for contracting melioidosis and in predicting the time period during which B. pseudomallei remains infectious after an accidental or intentional release in the environment. [source]


Methyl methacrylate modification of polyolefin in a batch mixer and a twin-screw extruder experiment and kinetic model

POLYMER ENGINEERING & SCIENCE, Issue 12 2003
Jaehyug Cha
Free radical grafting with methyl methacrylate onto molten polypropylene was investigated in both an internal mixer and a modular co-rotating twin-screw extruder. There has been little open literature on melt free radical grafting copolymerization of methyl methacrylate. There is also little information on the evolution of grafting reaction with respect to reaction time in an internal mixer and along the screw axes with methyl methacrylate. The influence of residence time on the degree of grafting in an internal mixer and a twin-screw extruder was studied through measuring reaction yields with respect to reaction time in a mixer and evolution of reaction yield along the screw axis. The degree of grafting increased with initial monomer and peroxide concentration. The grafting reactions with three different peroxides were also investigated. The grafting levels were similar to maleic anhydride and suggested that only an individual methyl methacrylate unit be grafted. The melt viscosity was dramatically reduced with addition of peroxide. A kinetic scheme of our reaction system for methyl methacrylate was proposed and compared with the experimental results. [source]


Microsynthesis and mass spectral study of Chemical Weapons Convention related 2-alkyl-1,3,6,2-dioxathiaphosphocane-2-oxides

RAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 12 2008
Meehir Palit
Chemical Weapons Convention (CWC)-related compounds where the phosphorus atom is part of a ring have very limited representation in mass spectral libraries and the open literature. Here we report electron ionization (EI), chemical ionization (CI) and electrospray ionization tandem mass spectrometry (ESI-MSn) spectra and retention indices for 2-alkyl-1,3,6,2-dioxathiaphosphocane-2-oxides (alkyl C1 to C3) which are new cyclic chemicals covered under the CWC. The EI mass spectra show a pattern of ion fragmentation that is similar to that of other cyclic phosphonates in that loss of the alkylphosphonic acid as a neutral loss is more important than the presence of the protonated alkylphosphonic acid. In contrast to other cyclic phosphonates, the 2-alkyl-1,3,6,2-dioxathiaphosphocane-2-oxides show almost no protonated alkylphosphonic acid and as a result the spectra do not carry the same distinctive signature of the phosphorus,carbon bond that is required for the chemical to be covered under the CWC. Copyright © 2008 John Wiley & Sons, Ltd. [source]


Principles of antidote pharmacology: an update on prophylaxis, post-exposure treatment recommendations and research initiatives for biological agents

BRITISH JOURNAL OF PHARMACOLOGY, Issue 4 2010
S Ramasamy
The use of biological agents has generally been confined to military-led conflicts. However, there has been an increase in non-state-based terrorism, including the use of asymmetric warfare, such as biological agents in the past few decades. Thus, it is becoming increasingly important to consider strategies for preventing and preparing for attacks by insurgents, such as the development of pre- and post-exposure medical countermeasures. There are a wide range of prophylactics and treatments being investigated to combat the effects of biological agents. These include antibiotics (for both conventional and unconventional use), antibodies, anti-virals, immunomodulators, nucleic acids (analogues, antisense, ribozymes and DNAzymes), bacteriophage therapy and micro-encapsulation. While vaccines are commercially available for the prevention of anthrax, cholera, plague, Q fever and smallpox, there are no licensed vaccines available for use in the case of botulinum toxins, viral encephalitis, melioidosis or ricin. Antibiotics are still recommended as the mainstay treatment following exposure to anthrax, plague, Q fever and melioidosis. Anti-toxin therapy and anti-virals may be used in the case of botulinum toxins or smallpox respectively. However, supportive care is the only, or mainstay, post-exposure treatment for cholera, viral encephalitis and ricin , a recommendation that has not changed in decades. Indeed, with the difficulty that antibiotic resistance poses, the development and further evaluation of techniques and atypical pharmaceuticals are fundamental to the development of prophylaxis and post-exposure treatment options. The aim of this review is to present an update on prophylaxis and post-exposure treatment recommendations and research initiatives for biological agents in the open literature from 2007 to 2009. [source]