Fatty Acids Distribution Networks in Ruminal Membrane by Computational and Experimental Studies

Abstract

The present communication introduces a new classification model for fatty acids (FA) distribution networks in ruminal microbe membrane based on experimental and computational studies. In the experimental part, long chain fatty acids and volatile fatty acids in ruminal microbe membrane or liquid phase were investigated by supplementation of different ratios of Omega-6 / Omega-3 and in the processes of base-/ acid-methylation. In the computational part, Perturbation Theory (PT) and Linear Free-Energy Relationships (LFER), combined with corresponding Box-Jenkins (ΔVkj) and PT Operators (ΔΔVkj) were applied into the calculation of physicochemical parameters (Vk) of fatty acids. The best PT-LFER model found to predict the effects of perturbations over the FA distribution network with Sensitivity, Specificity, and Accuracy > 80% for 407,655 cases. In final, PT-LFER model based on LDA was used to reconstruct the complex networks of perturbations in the FA distribution and compared with random Erdős-Ré nyi network models. The detail results have been published in Mol. BioSyst., 2015, Aug., the present is a short communications.