• Journal of the Korean Chemical Society
• /
• v.20 no.2
• /
• pp.111-117
• /
• 1976

The configuration and conformation of methyl benzamidoxime have been studied from extended Huckel molecular orbital calculations.The results show that the E-configuration of the C=N double bond is favored compared with that of Z-configuration with the sp-conformation of the C-N bond rotamers, but Z-configuration is more stable with the ap-conformation of the C-N bond rotamers. The conformation of C-N bond with equal configuration of C=N bond and equal conformation of N-O bond, sp-form is favored, but the conformation of N-O bond with equal configuration and equal conformation of C-N bond ap-form is more stable. The major part of the stabilization energies can be accounted for by the electrostatic energies between the atoms involved.

• Asian-Australasian Journal of Animal Sciences
• /
• v.32 no.2
• /
• pp.183-191
• /
• 2019

Objective: The purpose of this study was to compare intended and actual yearly genetic gains for milk production and conformation traits and to investigate the simple selection criterion practiced among milk production and conformation traits during the last two decades in Japan. Learning how to utilize the information on intended and actual genetic gains during the last two decades into the genomic era is vital. Methods: Genetic superiority for each trait for four paths of selection (sires to breed bulls [SB], sires to breed cows [SC], dams to breed bulls [DB], and dams to breed cows [DC]) was estimated. Actual practiced simple selection criteria were investigated among milk production and conformation traits and relative emphasis on milk production and conformation traits was compared. Results: Selection differentials in milk production traits were greater than those of conformation traits in all four paths of selection. Realized yearly genetic gain was less than that intended for milk production traits. Actual annual genetic gain for conformation traits was equivalent to or greater than intended. Retrospective selection weights of milk production and conformation traits were 0.73:0.27 and 0.56:0.44 for intended and realized genetic gains, respectively. Conclusion: Selection was aimed more toward increasing genetic gain in milk production than toward conformation traits over the past two decades in Japan. In contrast, actual annual genetic gain for conformation traits was equivalent to or greater than intended. Balanced selection between milk production and conformation traits tended to be favored during actual selection. Each of four paths of selection (SB, SC, DB, and DC) has played an individual and important role. With shortening generation interval in the genomic era, a young sire arises before the completion of sire's daughters' milk production records. How to integrate these four paths of selection in the genomic era is vital.

• YAKHAK HOEJI
• /
• v.38 no.6
• /
• pp.721-724
• /
• 1994

According to computer graphics/Grid search analysis, ${\beta}-keto$ carboxylic acid of nalidixic acid which has an antibacterial activity as DNA-gyrase inhibitor has been known to have got four different conformational energy values. In orders, the energy value of conformation A,B,C and D was -6.603, -4.114, -1.766 and 7.327 kcal/mol. The difference of energy value between conformation A and D was 13.9 kcal/mol. Usually conformation C was used in literature. However, it had a energy value of -1.766 kcal/mol as the result of the analysis which is about 5 kcal/mol higher than the most stable conformation A. Therefore, conformation A is expected to be more stable than conformation C.

• Animal Bioscience
• /
• v.37 no.4
• /
• pp.555-566
• /
• 2024

Objective: This study aimed to assess the genetic parameters and accuracy of genomic predictions for twenty-four linear body conformation traits and overall conformation scores in Korean Holstein dairy cows. Methods: A dataset of 2,206 Korean Holsteins was collected, and genotyping was performed using the Illumina Bovine 50K single nucleotide polymorphism (SNP) chip. The traits investigated included body traits (stature, height at front end, chest width, body depth, angularity, body condition score, and locomotion), rump traits (rump angle, rump width, and loin strength), feet and leg traits (rear leg set, rear leg rear view, foot angle, heel depth, and bone quality), udder traits (udder depth, udder texture, udder support, fore udder attachment, front teat placement, front teat length, rear udder height, rear udder width, and rear teat placement), and overall conformation score. Accuracy of genomic predictions was assessed using the single-trait animal model genomic best linear unbiased prediction method implemented in the ASReml-SA v4.2 software. Results: Heritability estimates ranged from 0.10 to 0.50 for body traits, 0.21 to 0.35 for rump traits, 0.13 to 0.29 for feet and leg traits, and 0.05 to 0.46 for udder traits. Rump traits exhibited the highest average heritability (0.29), while feet and leg traits had the lowest estimates (0.21). Accuracy of genomic predictions varied among the twenty-four linear body conformation traits, ranging from 0.26 to 0.49. The heritability and prediction accuracy of genomic estimated breeding value (GEBV) for the overall conformation score were 0.45 and 0.46, respectively. The GEBVs for body conformation traits in Korean Holstein cows had low accuracy, falling below the 50% threshold. Conclusion: The limited response to selection for body conformation traits in Korean Holsteins may be attributed to both the low heritability of these traits and the lower accuracy estimates for GEBVs. Further research is needed to enhance the accuracy of GEBVs and improve the selection response for these traits.

• International Journal of Industrial Entomology and Biomaterials
• /
• v.26 no.2
• /
• pp.113-118
• /
• 2013

In this study, silk sericin films were prepared using different extraction methods, and the molecular conformation of sericin was examined using Fourier-transform infrared spectroscopy with attenuated total reflection geometry. Additionally, the effect of the film side (air-facing side or plate-facing side) on the molecular conformation of the sericin films was investigated. Interestingly, the molecular conformation of the sericin film depended on the film side. The molecular conformation of air-facing side of the sericin film was significantly influenced by extraction solution and time. The ${\beta}$-sheet crystallization and the crystallinity index of the sericin film markedly increased with an increase in the extraction time in hot water. The order of the crystallinity indices for the sericin films obtained with different extraction solutions was as follows: citric acid solution > urea solution >> hot water. In contrast, no remarkable differences were observed in the molecular conformation of the plate-facing side of the sericin film after extraction in hot water for different time periods. Urea and citric acid solution extractions showed remarkably higher crystallinity indices for sericin than those obtained after hot water extraction. However, no significant differences were observed in the crystallinity index of sericin between urea and citric acid solution extraction in plate-facing side of the film.

• Korea-Australia Rheology Journal
• /
• v.21 no.2
• /
• pp.143-146
• /
• 2009

Breakthrough of high Weisenberg number problem is related with keeping the positive definiteness of the conformation tensor in numerical procedures. In this paper, we suggest a simple method to preserve the positive definiteness by use of vector decomposition of the conformation tensor which does not require eigenvalue problem. We also derive the constitutive equation of tensor-logarithmic transform in simpler way than that of Fattal and Kupferman and discuss the comparison between the vector decomposition and tensor-logarithmic transformation.

• Archives of Pharmacal Research
• /
• v.13 no.1
• /
• pp.43-50
• /
• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and hydration shell model were carried out on the four-4-aminodiphenyl sulfone analogues of 4, 4'-diamino-2' methyldiphenyl sulfone, 4, 2', 4-triaminodiphenyl sulfone, 4, 4'-diaminodiphenyl sulfone, and 4-aminodiphenyl sulfone as antibacterial agents on Mycobacterium lufu. The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the contributions of water-accessible volume and the hydration free energy of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of four analogues with their antibacterial activities, it is known that the conformation and the hydrophobicity of sulfonyl group and its adjacent carbon atom in each compound are the essential factors to show the strong antibacterial activity.

• YAKHAK HOEJI
• /
• v.33 no.6
• /
• pp.350-360
• /
• 1989

The conformation and activity of the four benzenesulfonyl analogues of 4-aminobenzene-sulfonamide, 4-aminobenzenesulfonic acid, 4-methylbenzenesulfonamide, and 4-methylbenzenesulfonic acid with antibacterial activity on Staphylococcus aureus were studied using an empirical potential function (ECEPP/2) and the hydration shell model. The conformational energies were minimized from the starting conformations which included possible combinations of torsion angles in each molecule. To understand the hydration effect on the conformation of the molecule in aqueous solution, the hydration free energy of each group was calculated and compared each other. The conformational entropies of low-free-energy coformation of benzenesulfonly analogues were computed by a harmonic approximation. From the correlation of lowest-free-energy conformation of each compound and its antibacterial activity, it was found that the hydration of sulfonyl groups and the substituents are the decisive factors to show antibacterial activities.

• YAKHAK HOEJI
• /
• v.36 no.6
• /
• pp.518-528
• /
• 1992

To determine the optimal conformation of sulfonylureas, the correlation between conformation and hypoglycemic activity of the two sulfonylureas of tolbutamide and chlorpropamide as hypoglycemic agent was studied using an empirical potential function (ECEPP/2) and the hydration shell model in the unhydrated and hydrated states. The conformational energy was minimized from several starting conformations with possible torsion angles in each molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecules in aqueous solution, the contribution of water-accessible volume of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of two sulfonylureas, it could be suggested that the hydration of sulfonylurea moiety is related to increase the hypoglycemic activity. From the calculation results, it was known that the conformational entropy is the major contribution to stabilize the low-free-energy conformations of two sulfonylureas in unhydrated state. Whereas, in hydrated state, the hydration free energy largely contributes to the total free energies of low-free-energy conformations of tolbutamide and conformational entropy contributes to stabilize the low-free-energy conformations of chlorpropamide. The torsion angles from phenyl ring to urea moiety of the low-free-energy conformations of the two sulfonylureas were shown the nearly regular trend. On the basis of these results, the conformation exhibiting the optimal hypoglycemic activity of sulfonylureas and the binding direction to pancreatic receptor site A could be predicted. Also, according to the side chain lengthening of urea moiety, tolbutamide showed various conformational change. Therefore, steric effect may be important factor in the interaction between sulfonylureas and the putative pancreatic receptor.

• Journal of Animal Science and Technology
• /
• v.63 no.4
• /
• pp.740-750
• /
• 2021

This study was performed to investigate genetic relationship of age at first calving (AFC) with body development and reproduction capacity in female Hanwoo. The data sets of 52,299 reproduction records of 19,566 heads calved from 2011 to 2019 and conformation records of 19565 heads born from 1997 to 2017 were analyzed by separating them based on age at first calving. In the analysis, conformation traits included the body condition score (BCS), height (HT), body width (BW), hip bone length (HL), hip bone width (HW), and final score (FS). The heritability and genetic correlation of AFC with conformation traits and calving interval (CI) were analyzed. The heritability for AFC was 0.716, 0.087, and 0.097 for the before and after 24 months and combined data, respectively. The genetic correlation of AFC before 24 months with BCS was -0.778, -0.600 with BW, and 0.442 with HT. The genetic correlation of AFC after 24 months with HT was -0.826, -0.706 with BW, -0.623 with HL, -0.456 with HW, and -0.675 with FS. When the first calving age of young heifers approached 24 months, BCS and BW decreased, and HT increased. When first calving is delayed to after 24 months, the conformation traits become smaller, which indicates that conformation to some extent affects the delay in AFC. The genetic correlation between CI and AFC was -0.116, 0.307, and 0.250 for the before and after 24 month of AFC and combined data, respectively. When first calving date approached 24 months, CI was reduced. The obtained results suggest that it is important that first calving occurs at an appropriate age. Additional research is needed to perform proper genetic evaluation of first calving age in Hanwoo cattle in Korea.