Diphosphazane-monoxide and Phosphine-sulfonate Palladium Catalyzed Ethylene Copolymerization with Polar Monomers: A Computational Study

Density functional theory (DFT) calculations have been comparatively carried out to disclose the origin of different catalytic performance of diphosphazane-monoxide and phosphine-sulfonate palladium complexes toward copolymerization of ethylene and vinyl polar monomers. A theoretical comparison of the two catalytic systems indicates that the rigid five-membered backbone and cationic nature of the diphosphazane-monoxide palladium complex are beneficial for its copolymerization activity. Having achieved agreement between theory and experiment, it is found that the favorable 2,1-selective insertion of methyl methacrylate (MMA) into the diphosphazane-monoxide palladium complex originates from less geometrical deformation and the MeO···H interaction between the ancillary ligand and the methyl of MMA. In this catalyst system, it is kinetically difficult for the MMA pre-enchained species to undergo subsequent ethylene insertion due to the steric repulsion between the methyl of MMA and the inserting ethylene moiety, but it relatively favors β-H elimination, yielding the MMA-terminated copolymer observed experimentally. In contrast, comparable insertion energy barriers were observed for phosphine-sulfonate palladium catalyzed MMA 1,2- and 2,1-insertions, which may account for the lower regioselectivity of this catalyst

Table_5_Effects of Herbal Tea Residue on Growth Performance, Meat Quality, Muscle Metabolome, and Rumen Microbiota Characteristics in Finishing Steers.XLSX

Herbal tea residue (HTR) contains various medicinal and nutritional components and is a potential high-quality unconventional source of roughage. In this study, a total of 30 healthy Simmental crossbred finishing steers were equally divided into two groups: CN (fed with a basic diet) and RE (HTR partly replaced Pennisetum purpureum). HTR did not alter the growth performance of steers but increased the net meat rate, tenderness, and water-holding capacity and increased the moisture content and oleic acid and linoleic acid concentrations in longissimus dorsi. It altered muscle metabolic pathways and improved rumen fermentation by increasing the propionic acid concentration and propionic acid-to-acetic acid ratio. We studied the steers’ rumen microbial community composition and determined their correlation with the tested parameters. Certain rumen microorganisms were closely associated with muscle glucolipid metabolites and rumen NH3-N and volatile fatty acid levels. Our findings suggest that, as a functional roughage source, HTR improved to a certain extent the meat quality of steers by altering the rumen microbial composition and affecting the rumen fatty acid composition and muscle glucolipid metabolism.</p

Image_3_Effects of Herbal Tea Residue on Growth Performance, Meat Quality, Muscle Metabolome, and Rumen Microbiota Characteristics in Finishing Steers.pdf

Herbal tea residue (HTR) contains various medicinal and nutritional components and is a potential high-quality unconventional source of roughage. In this study, a total of 30 healthy Simmental crossbred finishing steers were equally divided into two groups: CN (fed with a basic diet) and RE (HTR partly replaced Pennisetum purpureum). HTR did not alter the growth performance of steers but increased the net meat rate, tenderness, and water-holding capacity and increased the moisture content and oleic acid and linoleic acid concentrations in longissimus dorsi. It altered muscle metabolic pathways and improved rumen fermentation by increasing the propionic acid concentration and propionic acid-to-acetic acid ratio. We studied the steers’ rumen microbial community composition and determined their correlation with the tested parameters. Certain rumen microorganisms were closely associated with muscle glucolipid metabolites and rumen NH3-N and volatile fatty acid levels. Our findings suggest that, as a functional roughage source, HTR improved to a certain extent the meat quality of steers by altering the rumen microbial composition and affecting the rumen fatty acid composition and muscle glucolipid metabolism.</p

The differential expression of bovine conserved (A) and novel (B) miRNAs between AF and AM tissue were shown.

<p>Note: Expression level (AF): Expression level of adult bovine backfat tissue; Expression level (AM): Expression level of adult bovine muscle tissue. Each point in the figure represents a miRNA. Red points represent miRNAs with a fold change >2, blue points represent miRNAs with 1/2</p

Image_2_Effects of Herbal Tea Residue on Growth Performance, Meat Quality, Muscle Metabolome, and Rumen Microbiota Characteristics in Finishing Steers.pdf

Herbal tea residue (HTR) contains various medicinal and nutritional components and is a potential high-quality unconventional source of roughage. In this study, a total of 30 healthy Simmental crossbred finishing steers were equally divided into two groups: CN (fed with a basic diet) and RE (HTR partly replaced Pennisetum purpureum). HTR did not alter the growth performance of steers but increased the net meat rate, tenderness, and water-holding capacity and increased the moisture content and oleic acid and linoleic acid concentrations in longissimus dorsi. It altered muscle metabolic pathways and improved rumen fermentation by increasing the propionic acid concentration and propionic acid-to-acetic acid ratio. We studied the steers’ rumen microbial community composition and determined their correlation with the tested parameters. Certain rumen microorganisms were closely associated with muscle glucolipid metabolites and rumen NH3-N and volatile fatty acid levels. Our findings suggest that, as a functional roughage source, HTR improved to a certain extent the meat quality of steers by altering the rumen microbial composition and affecting the rumen fatty acid composition and muscle glucolipid metabolism.</p

The expression of miRNAs in bovine different tissues were detected by RT-qPCR.

<p>The expression of miRNAs in bovine different tissues were detected by RT-qPCR.</p

Table_1_Effects of Herbal Tea Residue on Growth Performance, Meat Quality, Muscle Metabolome, and Rumen Microbiota Characteristics in Finishing Steers.DOCX

Herbal tea residue (HTR) contains various medicinal and nutritional components and is a potential high-quality unconventional source of roughage. In this study, a total of 30 healthy Simmental crossbred finishing steers were equally divided into two groups: CN (fed with a basic diet) and RE (HTR partly replaced Pennisetum purpureum). HTR did not alter the growth performance of steers but increased the net meat rate, tenderness, and water-holding capacity and increased the moisture content and oleic acid and linoleic acid concentrations in longissimus dorsi. It altered muscle metabolic pathways and improved rumen fermentation by increasing the propionic acid concentration and propionic acid-to-acetic acid ratio. We studied the steers’ rumen microbial community composition and determined their correlation with the tested parameters. Certain rumen microorganisms were closely associated with muscle glucolipid metabolites and rumen NH3-N and volatile fatty acid levels. Our findings suggest that, as a functional roughage source, HTR improved to a certain extent the meat quality of steers by altering the rumen microbial composition and affecting the rumen fatty acid composition and muscle glucolipid metabolism.</p

Additional file 2: of MicroRNA expression profiles of bovine milk exosomes in response to Staphylococcus aureus infection

Total (A) and Normalized (B) Sequence Counts per Known Bovine miRNA Homolog Group. (XLSX 73 kb

Image_1_Effects of Herbal Tea Residue on Growth Performance, Meat Quality, Muscle Metabolome, and Rumen Microbiota Characteristics in Finishing Steers.pdf

Herbal tea residue (HTR) contains various medicinal and nutritional components and is a potential high-quality unconventional source of roughage. In this study, a total of 30 healthy Simmental crossbred finishing steers were equally divided into two groups: CN (fed with a basic diet) and RE (HTR partly replaced Pennisetum purpureum). HTR did not alter the growth performance of steers but increased the net meat rate, tenderness, and water-holding capacity and increased the moisture content and oleic acid and linoleic acid concentrations in longissimus dorsi. It altered muscle metabolic pathways and improved rumen fermentation by increasing the propionic acid concentration and propionic acid-to-acetic acid ratio. We studied the steers’ rumen microbial community composition and determined their correlation with the tested parameters. Certain rumen microorganisms were closely associated with muscle glucolipid metabolites and rumen NH3-N and volatile fatty acid levels. Our findings suggest that, as a functional roughage source, HTR improved to a certain extent the meat quality of steers by altering the rumen microbial composition and affecting the rumen fatty acid composition and muscle glucolipid metabolism.</p