Estimates of marker effects for measures of milk flow in the Italian brown Swiss dairy cattle population

Background: Milkability is a complex trait that is characterized by milk flow traits including average milk flow rate, maximum milk flow rate and total milking time. Milkability has long been recognized as an economically important trait that can be improved through selection. By improving milkability, management costs of milking decrease through reduced labor and improved efficiency of the automatic milking system, which has been identified as an important factor affecting net profit. The objective of this study was to identify markers associated with electronically measured milk flow traits, in the Italian Brown Swiss population that could potentially improve selection based on genomic predictions.Results: Sires (n = 1351) of cows with milk flow information were genotyped for 33,074 single nucleotide polymorphism (SNP) markers distributed across 29 Bos taurus autosomes (BTA). Among the six milk flow traits collected, ascending time, time of plateau, descending time, total milking time, maximum milk flow and average milk flow, there were 6,929 (time of plateau) to 14,585 (maximum milk flow) significant SNP markers identified for each trait across all BTA. Unique regions were found for each of the 6 traits providing evidence that each individual milk flow trait offers distinct genetic information about milk flow. This study was also successful in identifying functional processes and genes associated with SNPs that influences milk flow.Conclusions: In addition to verifying the presence of previously identified milking speed quantitative trait loci (QTL) within the Italian Brown Swiss population, this study revealed a number of genomic regions associated with milk flow traits that have never been reported as milking speed QTL. While several of these regions were not associated with a known gene or QTL, a number of regions were associated with QTL that have been formerly reported as regions associated with somatic cell count, somatic cell score and udder morphometrics. This provides further evidence of the complexity of milk flow traits and the underlying relationship it has with other economically important traits for dairy cattle. Improved understanding of the overall milking pattern will aid in identification of cows with lower management costs and improved udder health

Computational studies of the catalytic reactions of group ivb and vib transition metal oxide clusters

Computational chemistry approaches have been used to study the reactivity of Group IVB and VIB transition metal oxide clusters. The hydrolysis of MCl4 (M = Zr, Hf) as the initial steps on the way to form zirconia and hafnia nanoparticles has been studied with density functional theory (DFT) and coupled cluster [CCSD(T)]theory. Instead of the direct production of MOCl2 and HCl or MO2 and HCl, the hydrolysis reaction starts with the formation of oxychlorohydroxides followed by the release of HCl due to the large endothermicities associated with the direct path to form gas phase MO2. The formation of MO2 nanoparticles by the high temperature oxidation method is complicated and is associated with the potential production of a wide range of intermediates. The interaction between H2O and small (MO2)n (M = Ti, Zr, Hf, n = 1−4) nanoclusters has been studied for the first step to understand the reaction mechanism of photocatalytic water splitting with the presence of (MO2)n as catalysts. Both the singlet and the first excited potential energy surfaces (PESs) are studied. The hydrolysis reactions begin with the formation Lewis acid-base adducts followed by proton transfer from H2O to the nanclusters. The reactions are highly exothermic with very small activation energies. Thus, H2O should readily decompose to generate two OH groups on (MO2)n nanoclusters. The generation of H2 and O2 starting from the hydroxides formed in the hydrolysis step has been studied with the same computational methods as used for the hydrolysis study. The water splitting reactions prefer to take place on the first excited triplet potential energy surface (PES) due to its requirement of less energy than that on the singlet PES. A low excess potential energy is needed to generate 2H2 and O2 from 2H2O if the endothermicity of the reaction is overcome on the first excited triplet PES using two visible photons. Hydrogen generation occurs via the formation of an M−H containing intermediate and this step can be considered to be a proton coupled, electron transfer (PCET) reactions with one or two electrons being transferred. Oxygen is produced by breaking two weak M−O bonds on the triplet PES. Ethanol (CH3CH2OD) conversions on cyclic (MO3)3 (M = Mo, W) clusters have been studied experimentally with temperature programmed desorption and computationally with both DFT and CCSD(T) methods. The addition of two alcohol molecules is required to match experiment. The reaction begins with the elimination of water with the formation of an intermediate of dialkoxy species for further reaction. The dehydration reaction proceeds through a β hydrogen transfer to a terminal MVI = O atom without the involvement of a redox process. The dehydrogenation reaction is through an α hydrogen transfer to an MoVI = O with redox involved or a WVI avoiding redox. The same computational methods have been used to study the other alcohol species such as methanol, n-propanol and isopropanol. The reactions with single, double and triple alcohols per M3O9 cluster have been studied. The dehydrogenation and dehydration for single alcohol reactions is via a common intermediate of metal hydroalkoxide formed by the dissociation of alcohol. The dehydration is through a β hydrogen transfer to OH group. The lowest energy pathway for dehydrogenation is the same for different alcohols in both single and double alcohol reactions. Three alcohols involved condensation reaction may lower the reaction barrier tremendously by the sacrifice of an alcohol to form a metal hydroalkoxide, a strong gas phase Brønsted acid. This is a Brønsted acid driven reaction different from dehydrogenation and dehydration reactions governed by the Lewis acidity of the metal center and its reducibility. (Published By University of Alabama Libraries