74,798 research outputs found

    Response to Deng

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    Statistical thermodynamic basis in drug-receptor interactions: double annihilation and double decoupling alchemical theories, revisited

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    Alchemical theory is emerging as a promising tool in the context of molecular dynamics simulations for drug discovery projects. In this theoretical contribution, I revisit the statistical mechanics foundation of non covalent interactions in drug-receptor systems, providing a unifying treatment that encompasses the most important variants in the alchemical approaches, from the seminal Double Annihilation Method by Jorgensen and Ravimohan [W.L. Jorgensen and C. Ravimohan, J. Chem. Phys. 83,3050, 1985], to the Gilson's Double Decoupling Method [M. K. Gilson and J. A. Given and B. L. Bush and J. A. McCammon, Biophys. J. 72, 1047 1997] and the Deng and Roux alchemical theory [Y. Deng and B. Roux, J. Chem. Theory Comput., 2, 1255 2006]. Connections and differences between the various alchemical approaches are highlighted and discussed, and finally placed into the broader context of nonequilibrium thermodynamics.Comment: 25 pages, 4 figure

    Generalized resolution for orthogonal arrays

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    The generalized word length pattern of an orthogonal array allows a ranking of orthogonal arrays in terms of the generalized minimum aberration criterion (Xu and Wu [Ann. Statist. 29 (2001) 1066-1077]). We provide a statistical interpretation for the number of shortest words of an orthogonal array in terms of sums of R2R^2 values (based on orthogonal coding) or sums of squared canonical correlations (based on arbitrary coding). Directly related to these results, we derive two versions of generalized resolution for qualitative factors, both of which are generalizations of the generalized resolution by Deng and Tang [Statist. Sinica 9 (1999) 1071-1082] and Tang and Deng [Ann. Statist. 27 (1999) 1914-1926]. We provide a sufficient condition for one of these to attain its upper bound, and we provide explicit upper bounds for two classes of symmetric designs. Factor-wise generalized resolution values provide useful additional detail.Comment: Published in at http://dx.doi.org/10.1214/14-AOS1205 the Annals of Statistics (http://www.imstat.org/aos/) by the Institute of Mathematical Statistics (http://www.imstat.org

    Jiang Zemin's discourse on intellectuals: the political use of formalised language and the conundrum of stability

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    This article focuses on the specific forms of power that are embodied in the properties and functions of formalised language, as it was used by Jiang Zemin in crucial political documents on the Party’s policy towards intellectuals. This inquiry illuminates various possibilities for the normalisation and inculcation of formalised language in the understudied decade of the 1990s, when the mantra “without stability, nothing can be achieved” became a tautology. The internal constitution of the selected texts is examined with an eye to the dialogic interaction with the production and reception of Mao Zedong and Deng Xiaoping’s political discourses on intellectuals (Mao 1942; Deng 1978). The analysis of language practices and discursive formations in a comparative per-spective sheds light on the respective socio-political and historical contexts. It also reveals the extreme involution-devolution of formalised language in the Jiang Zemin era, when “preserving stability” was reaffirmed as a crucial concern of the Party leadership with the ultimate aim of preserving its monopoly of power

    Water absorption and curing time performance of urea formaldehyde resin mixed with different amount phosphorous-based fire retardants.

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    The curing time and the properties of urea formaldehyde (UF) resin mixed with fire retardants, BP (mixture of boric acid, guanylurea phosphate and phosphoric acid), monoammonium phosphate (MAP) and diammonium phosphate (DAP) were studied. There were two amounts used, 8% w/w and 10% w/w. The curing time of the mixed resin was determined by using thermo oil at the temperature of 170ºC. Water absorption test and physical observations were done to evaluate the properties of the fire retardant-mixed resin. The non-fire retardant UF resin samples were used as controls. The solubility of MAP and DAP in the water at different weights also has been studied. The solubility test was done with and without the involvement of heat. The study showed that UF resin mixed with MAP and BP cured faster than DAP-mixed UF and control samples. The time taken for UF resin to mix with 10 % w/w and 8 % w/w MAP were 20 s and 28 s respectively. The time taken for UF resin mixed with 10 % and 8 % w/w DAP was slightly than the controls, which are 160 s and 150 s respectively. The time taken for UF resin mixed with 10 % w/w and 8 % w/w BP was 101 s and 92 s respectively.The curing time for control samples was 140 s respectively. MAP and DAP were shown to be highly soluble, as they took less than 1 minute to be dissolved in the water without heat, but BP took 30 minutes to be dissolved in the water without heat and less than 1 minute with heat. Water absorption test showed that the higher the amount of MAP, DAP and BP mixed into the resin, the higher would be the rate of water absorbed