The effects of dispersion interactions on the dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol are investigated through first principles simulations with a dispersion corrected density functional. Calculations are done at two different temperatures of 300 and 350 K and the results are compared with those of an earlier study where no such dispersion corrections we...

Neisseria gonorrhoeae, the causative agent of the sexually transmitted infection (STI) gonorrhea, is a growing public health threat for which a vaccine is urgently needed. We characterized the functional role of the gonococcal MetQ protein, which is the methionine binding component of an ABC transporter system, and assessed its potential as a candidate antigen for inclusion in a gonococcal vacc...

Coppo, M. and A. Ferrari, Type inference, abstract interpretation and strictness analysis, Theoretical Computer Science 121 (1993) 113-143. Filter domains (Coppo et al., 1984) can be seen as abstract domains for the interpretation of (functional) type-free programming languages. What is remarkable is the fact that in filter domains the interpretation of a term is given by the set of its types i...

Feeding specializations such as herbivory are an often cited example of convergent and adaptive evolution. However, some groups such as lizards appear constrained in the evolution of morphological specializations associated with specialized diets. Here we examine whether the inclusion of plant matter into the diet of omnivorous lacertid lizards has resulted in morphological specializations and ...

The recently proposed constrained-pairing mean-field theory (CPMFT) is here extended to include exchange and correlation effects from density functional theory (DFT) via alternative densities. We transform from alpha and beta spin densities to alternatives based on the total and on-top pair densities. This transformation is needed because CPMFT produces correct spin-symmetry and space-symmetry ...

Tekeli, A., H. RuSTu kuTlu and l. Celik, 2014. Dietary inclusion of grape seed oil in functional broiler meat production. Bulg. J. Agric. Sci., 20: 924-932 The purpose of this study is to explore the effects of grape seed oil on growth performance, some blood parameters and fatty acid composition in broiler meat. in order to formulate isocaloric ratios, the corresponding amounts of soy oil were...

The e€ect of the inclusion of the exact exchange into self-interaction corrected generalized gradient approximation density functional theory (GGA-DFT) for the simplest hydrogen abstraction reaction, H + H 2 ® H 3 ® H 2 + H, is presented using a triple-zeta augmented 6-311++G(d,3pd) basis set. The introduction of the self-interaction correction has a considerably larger e€ect on molecular geome...

background and aims: inclusion body hepatitis (ibh) is one of the most important reemerging diseases in many countries with intensive poultry industries. in iran, the etiological agent of ibh (fowl adenovirus) has not been yet confirmed. the aim of this study was the molecular detection and identification of fowl adenovirus involving ibh in chicken flocks in iran. materials and methods: polymer...

background and objectives: application of garlic oil in food industry can be improved by encapsulation. there is no study about the formation of inclusion complex of garlic oil by beta-cyclodextrin. the aim of the present study is comparison of the antioxidant and antibacterial activities of free and encapsulated garlic oil with beta-cyclodextrin. materials and methods: antioxidant activity was...

this study was conducted to molecularly detect avian adenoviruses in broiler flocks showing liver lesions and respiratory syndrome in northeast iran. in total, 60 tissue samples were collected from broiler farms with liver lesions, respiratory syndrome and also from clinically healthy flocks. six samples were positive; however, three samples were selected for molecular studies. pcr products wer...