Quantum mechanical calculations to chemical accuracy

Full configuraton-interaction (FCI) calculations have given an unambiguous standard by which the accuracy of theoretical approaches of incorporating electron correlation into molecular structure calculations can be judged. In addition, improvements in vectorization of programs, computer technology, and algorithms now permit a systematic study of the convergence of the atomic orbital (or so-called one-particle) basis set. These advances are discussed and some examples of the solution of chemical problems by quantum mechanical calculations are given to illustrate the accuracy of current techniques.     

Influence of stocking density and layer age on production traits and egg quality in Japanese quail

1. Japanese quail hens were housed from 6 to 26 weeks of age in cages providing areas of 150, 180, 210 and 240 cm²/bird.

2. Body weight gain, age at 50% egg production, mortality, hen‐day egg production and food conversion values showed significant improvement with proportionate increase in cage space per layer.

3. Egg weight gradually increased with age but shell thickness was influenced neither by age of the hen nor by stocking density.

4. Yolk index and colour were superior in the lowest stocking density (more cage space) group; other egg quality traits and egg weight were not influenced by stocking density.

5. The albumen index, internal quality unit, yolk index and yolk colour values increased with age.     

The possible role of methionine in the detoxification of faba bean (Vicia faba L.) tannins in chick diets

1. A metabolism trial was designed to investigate the role of methionine as a specific detoxifying agent of the condensed tannins present in faba beans (Vicia faba L.).

2. A 5 x 5 factorial approach was employed where 5 concentrations of dietary methionine were obtained (ranging from 3.9 to 12.15 g/kg diet dry matter) by the addition of DL‐methionine, and 5 concentrations of condensed tannins (ranging from 0.5 to 19.7 g/kg diet dry matter) by altering the ratio of tannin‐free and tannin‐containing faba bean hulls added to a basal diet.

3. The intake of condensed tannins had a significant, depressive effect on apparent available nitrogen (P< 0.001) and nitrogen corrected apparent metabolisable energy (AME_n ) (P< 0.001). There was no interaction between methionine and tannin (P>0.05). Thus the depressive effect of tannin was independent of methionine levels in the diet.

4. Methionine does not act as a specific detoxifier of faba bean condensed tannins.     

Estrus and ovulation synchronization in Merino meat sheep. 2. Fertility outcome after estrus and ovulation synchronization with Cloprostenol "Jenapharm" and Gonovet "Berlin-Chemie" and term-oriented artificial insemination]

49 of 102 sheep of one production herd, which had returned to oestrus once or twice within the 1985 breeding season, were treated twice in a nine-day interval with the PGF2 alpha analogue Cloprostenol "Jenapharm". 53 animals received an additional dose of 10 micrograms of Gonavet "Berlin-Chemie". A lambing rate of merely 15% was achieved by subsequent term-oriented artificial insemination. 31 sheep still in oestrus one day after term-oriented artificial insemination were served, bringing the lambing rate from synchronisation of oestrus and ovulation to 26% and the lambing result to 154%. Serving of the remaining sheep in 2 subsequent oestric cycles, on balance, yielded lambing rates and results of the remaining sheep in 2 subsequent oestric cycles, on balance, yielded lambing rates and results which were higher with significance than those recorded from untreated sheep in the same herd.     

Determination of bacterial N portions in feces and differently collected ileum chymus from swine]

In faeces and ileal digesta samples of 31 intact (INT) as well as 73 surgically differently prepared pigs bacterial fractionations and 2.6-diaminopimelic acid (DAP) estimations were carried out in order to calculate the bacterial N proportion in faeces N and digesta N after feeding various diets. Because of a high individual variability and the analytical variation width of the DAP/N-ratios no distinct influences of the fed diets could be found. The average DAP/N-values in the faeces (0.224) of INT pigs ranged in the same magnitude as in the digesta (0.0272) of ileorectostomized (IRA) pigs with open colon descendens (IRAo), where a digesta backflow is possible. Distinct lower DAP/N-ratios (0.0125 resp. 0.0043), however, were found in the digesta of pigs with ileo-caecal cannulae (IZB) or IRA pigs with closed colon (IRAg). On the base of various premises (N of the "bacterial fraction" C is only bacterial N; the DAP found in fraction A originates from intestinal bacteria adhering to feed particles) conducted calculations of the bacterial N proportions (in per cent of total N) led to the following data: Faeces of INT pigs: 43.0 ... 68.2 vs. 69.6 ... 89.0; digesta of operated pigs (except protein free diet) IRAo: 22.3 ... 57.0 vs. 46.2 ... 73.8; IZB: 17.0 ... 35.7 vs. 25.2 ... 53.6; IRAg (only 3 pigs): 23.6 vs. 24.2. The proportion of bacterial N in the digesta N of protein free fed IRAo pigs was 22.0 vs. 22.6%.     

Age and exercise effects on mitochondrial density and capillary fibre ratio in bird leg muscle

1. Muscle fibre composition, capillary-fibre ratio and mitochondrial density of the Iliotibialis lateralis muscle were monitored during growth from the age of 8 weeks to sexual maturity (24 weeks) in sedentary birds and in birds subjected to regular treadmill exercise. 2. The Iliotibialis lateralis muscle consists almost exclusively of type IIA and IIB fibres with a small percentage of "unclassified" fibres. Over the 16-week period of growth there was no change in fibre composition but a marked fibre hypertrophy linked with a fall in the capillary-fibre ratio. Mitochondrial volume density increased with age but this was not significant. 3. Exercise significantly increased the IIA:IIB fibres ratio from 0.77 to 1.1 but had no significant effect on any other measured characteristics. 4. It is concluded that exercise at the intensity and duration employed (10-15 min daily, ca. 70-80% maximum oxygen consumption) has little effect on the growth and development of avian skeletal muscle although there was evidence of an increased oxidative capacity of the muscle.