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.     

The nutritional value of low lathyrogenic Lathyrus (Lathyrus sativus) for growing chicks

1. The feeding value of new low β‐N‐oxalyl‐amino‐L‐alanine (BOAA) lines of Lathyrus sativus (lathyrus) and the benefits of dehulling the seed or of pre‐adapting chicks to lathyrus‐based diets were examined in several experiments.

2. Chicks fed on diets containing 400 g/kg of the low (1.3 g BOAA/kg seed) and medium (2.2 g BOAA/kg seed) BOAA lines did not differ (P>0.05) in weight gain (WG) or in apparent fat and protein digestibilities compared to birds fed on a wheat‐based diet.

3. Consumption of 600 g low BOAA lathyrus/kg diet caused a slight, but significant (P< 0.05), decrease in WG. Food efficiency decreased as the amount of dietary lathyrus was increased, suggesting that lathyrus may contain an antinutritive factor(s) other than BOAA.

4. Removal of the hull (70 g hull/kg seed) from the seed did not affect chick performance (P> 0.05).

5. Pre‐adapting chicks for 7 d to diets containing up to 600 g medium line lathyrus/kg diet did not reduce the detrimental effects of the lathyrus.

6. Although dehulling and pre‐adaptation of chicks to lathyrus were not beneficial, the low and medium lines of lathyrus tested show potential for use in chick diets up to at least 400 g lathyrus/kg diet.     

Citrullinaemia in Friesian calves

Six Friesian calves from a pedigree herd died or were killed within 1 week of birth because of progressive central nervous disease in which the only consistent lesion was cerebral oedema. The cause was citrullinaemia, resulting from an autosomally inherited dysfunction of the urea cycle enzyme arginosuccinate synthetase. Citrullinaemia was diagnosed by demonstrating markedly elevated concentrations of citrulline in the blood of one calf and in the cerebral spinal fluid of another. One of two sires used in the herd was a heterozygous carrier of the disease. Heterozygocity was demonstrated using a polymerase chain reaction/restriction endonuclease test designed to detect the genetic mutation that causes citrullinaemia in cattle.     

Comparative studies of BHV-1 variants by in vivo--in vitro tests.

The new encephalitogenic BHV-1.3 and previously characterized BHV-1 strains were studied with reference to their immunogenic and protective potency and their antigenic relationships using "in vitro" and "in vivo" tests. The "in vitro" results obtained by neutralization kinetics showed that the Los Angeles (LA) strain (BHV-1.1) and a vaginal isolate L-114 strain (BHV-1.2) had antigenic similarities. Conversely, the behavior of the encephalitogenic strain A-663 (BHV-1.3), was significantly distinct. The "in vivo" protection test was carried out in calves using LA and A-663 strains. Post-vaccination antibodies and challenge with A-663 strain showed that the immunogenic behavior and protective capacities of both strains were similar. Neutralization kinetics differences between BHV-1.1 and BHV-1.3 did not alter the "in vivo" protection against BHV-1.3 challenge.