• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1141-1149
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• 2003

The structures and gas-phase ionization energies (ΔG°) of Meldrum's acid (I) and related cyclic (II-VI) and acyclic compounds (VII-IX) are investigated theoretically at the MP2/6-31+$G^*$, B3LYP/6-31+$G^*$, B3LYP/6- 311+$G^{**}$, B3LYP/6-311++G(3df,2p) and G3(+)(MP2) levels. Conformations of three neutral cyclic series vary gradually from boat (Meldrum's acid, I), to twisted chair (II) and to chair (III) as the methylene group is substituted for the ether oxygen successively. The preferred boat form of I can be ascribed to the two strong $n_O$ → σ* c-c antiperiplanar vicinal charge transfer interactions and electrostatic attraction between negatively charged C¹ and positively charged C⁴at the opposite end of the boat. All the deprotonated anionic forms have half-chair forms due to the two strong $n_C$ → π* c=0 vicinal charge transfer interactions. The dipole-dipole interaction theory cannot account for the higher acidity of Meldrum's acid (I) than dimedone (III). The origin of the anomalously high acidity of I is the strong increase in the vicinal charge transfer ($n_C$ → π* c=0) and 1,4-attrative electrostatic interactions (C¹↔C⁴) in the ionization (I → $I^-$ + $H^+$). In the acyclic series (VII-IX) the positively charged end atom, C⁴, is absent and the attractive electrostatic stabilization (C¹↔C⁴) is missing in the anionic form so that the acidities are much less than the corresponding cyclic series.

• Journal of Digital Convergence
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• v.10 no.6
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• pp.331-339
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• 2012

The easy and simple simultaneous analytical method of preservatives (BA, SA, DHA, MP, EP, IPP, PP, IBP and BP) was studied by more easily changing from method used in food and drug using HPLC with scherzo SM-C18 column. All presevatives were seperated successfully in mobile phase of 50 mM ammonium formate : 0.1% phosphoric acid (50:50 v/v%) and 50 mM ammonium formate : acetonitrile (30 : 70). Retention time of BA, SA, DHA, MP, EP, IPP, PP, IBP and BP was 7.74, 9.08, 12.57, 13.83, 21.62, 27.29, 28.20, 33.20 and 33.68 min, respectively. The calibration curves of BA, SA, DHA, MP, EP, IPP, PP, IBP and BP were linear over the concentration range of 5~80 ${\mu}g/mL$ with correlation coefficient of above 0.999. The limit of detection (LOD) and limit of quantitation (LOQ) of BA, SA, DHA, MP, EP, IPP, PP, IBP and BP were 0.52 and 1.58, 1.09 and 3.29, 1.00 and 3.03, 1.36 and 4.13, 1.26 and 3.83, 1.02 and 3.08, 1.11 and 3.37, 0.82 and 2.48, 0.85 and 2.59 ${\mu}g/mL$, respectively. The coefficients of variation for intra- and inter-day assay were 0.12~2.68 and 0.18~2.66%, respectively. The developed method showed good intra- and inter-day precision and accuracy. The preservatives used in mouthwashes were BA, MP and PP and were detected in 24 samples(86%) except for 4 samples and not showed significant difference in using dose of adult and children. In conclusion, the developed method can be useful for simultaneous analysis of preservatives in mouthwashes and these results suggest that could be applied to fundamental study and guideline on content of preservatives in mouthwashes.

• Bulletin of the Korean Chemical Society
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• v.24 no.3
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• pp.369-376
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• 2003

Coulson (ZINDO), Mulliken $(MP2/6-31G^*)$ and Natural $(MP2/6-31G^*)$ population analyses of several large molecules were performed by the Fragment Reassociation (FR) method. The agreement between the conventional ZINDO (or conventional MP2) and FR-ZINDO (or FR-MP2) charges of these molecules was excellent. The standard deviations of the FR-ZINDO net atomic charges from the conventional ZINDO net atomic charges were 0.0008 for $C_{10}H_{22}$ (32 atoms), 0.0012 for $NH_2-C_{16}O_2H_{28}-COOH$ (53 atoms), 0.0014 for $NH_3^+-C_{16}O_2H_{28}-COOH$ (54 atoms), 0.0017 for $NH_2-C_{16}O_2H_{28}-COO^-$ (52 atoms), 0.0019 for $NH_3^+-C_{16}O_2H_{28}-COO^-$ (53 atoms), 0.0024 for a conjugated model $(O=CH-(CH=CH)_{15}-C=O-(CH=CH)_{12}-CH=CH_2)$, 118 atoms), 0.0038 for aglycoristocetin $(C_{60}N_7O_{19}H_{52}^+$, 138 atoms), 0.0023 for a polypropylene model complexed with a zirconocene catalyst $(C_{68}H-{121}Zr^+$, 190 atoms) and 0.0013 for magainin $(C_{112}N_{29}O_{28}SH_{177}$, 347 atoms), respectively. The standard deviations of the FR-MP2 Mulliken (or Natural) partial atomic charges from the conventional ones were 0.0016 (or 0.0016) for $C_{10}H_{22}$, 0.0019 (or 0.0018) for $NH_2-C_{16}O_2H_{28}-COOH$ and 0.0033 (or 0.0023) for $NH_3^+-C_{16}O_2H_{28}-COO^-$, respectively. These errors were attributed to the shape of molecules, the choice of fragments and the degree of ionic characters of molecules as well as the choice of methods. The CPU time of aglycoristocetin, conjugated model, polypropylene model complexed with zirconocene and magainin computed by the FR-ZINDO method was respectively 2, 4, 6 and 21 times faster than that by the normal ZINDO method. The CPU time of $NH_2-C_{16}O_2H_{28}-COOH\;and\;NH_3^+-C_{16}O_2H_{28}-COO^-$ computed by the FR-MP2 method was, respectively, 6 and 20 times faster than that by the normal MP2 method. The largest molecule calculated by the FR-ZINDO method was B-DNA (766 atoms). These results will enable us to compute atomic charges of huge molecules near future.

• Journal of Animal Science and Technology
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• v.44 no.5
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• pp.573-584
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• 2002

Milk urea nitrogen (MUN) and Milk protein (MP) are being used as indicators of the protein-energy balance and for actual farm feeding practices. The purpose of this study was to investigate the MUN and MP concentrations of individual cows and bulk tank milk to evaluate the dietary protein-energy balance from lactating Holstein cows. Mean MUN and MP concentrations in the milk samples obtained from 132,636 cows of 4,856 herd during Jan. 1999 to Dec. 2001 were 16.2 5.2mg/dl and 3.30 0.35%, respectively. The highest values were found during summer and lowest valued during winter in MUN. But, the average contents of MP were the highest during winter and the lowest during summer. In order to evaluate protein-energy balance for feeding, we set the level of recommended MP range of 2.90${\sim}$3.29% in early lactation considering a negative energy balance. The recommended level of MP in mid-lactation and late lactation were set as 3.10${\sim}$3.49%, and 3.30${\sim}$3.69%, respectively. Recommended MUN range of 12${\sim}$18 mg/dl was determined through the whole lactation period. Individual cows milk were analyzed by the 9 types based on this levels of MP and MUN in this study. Among the total cows investigated, 26.8%, 25.8%, and 22.2% have shown the recommended criteria of MP and MUN values, respectively. Also, of total herds surveyed, 11.6% had MUN values lower than 12.0 mg/dl and 32.9% had values higher than 18.0 mg/dl and 44.5% of total herd have not met with the recommended criteria of MP values in bulk tank milk. In case of MP, out of the total herd surveyed, 26.0% had MP values lower than 3.10% and 24.0% had values higher than 3.30% and 50.0% had MP values outside the recommended interval (3.1${\sim}$3.3%). This study has indicates that many dairy farms are under improper feeding management practice of the dietary protein-energy balance.

• Journal of the Korean Chemical Society
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• v.44 no.3
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• pp.190-193
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• 2000

ab initio calculations are presented for M-Rg and M-Rg2 (M=Li, Na, Rg=He, Ar) van der Waals clusters.InternucIear distances and binding energies of LiHe, LiAr and NaAr obtained by all-electron MP2(6-311++G(3df,3pd)) method are in good agreement with experimental values. Calculated properties of LiHe$_2$, LiAr$_2$, NaHe$_2$ and NaAr$_2$ are also reported.

• Asian-Australasian Journal of Animal Sciences
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• v.30 no.5
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• pp.660-665
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• 2017

Objective: The objective of the study was to determine the effects of increasing levels of metabolizable protein (MP) on lactation performance and nitrogen (N) efficiencies in lactating dairy cows. Methods: Nine multiparous cows in mid lactation [$113{\pm}25$ days in milk] received three treatments in a $3{\times}3$ Latin square design with a period length of 21 days. The treatments were three diets, designed to provide similar energy and increasing supply of MP (g/d) (2,371 [low], 2,561 [medium], and 2,711 [high] with corresponding crude protein levels [%]) 15.2, 18.4, and 20.9, respectively. Results: Increasing MP supplies did not modify dry matter intake, however, it increased milk protein, fat, and lactose yield linearly. Similarly, fat corrected milk increased linearly (9.3%) due to an increase in both milk yield (5.2%) and milk fat content (7.8%). No effects were observed on milk protein and lactose contents across the treatments. Milk nitrogen efficiency (MNE) decreased from 0.26 to 0.20; whereas, the metabolic efficiency of MP decreased from 0.70 to 0.60 in low to high MP supplies, respectively. The concentration of blood urea nitrogen (BUN) increased linearly in response to increasing MP supplies. Conclusion: Increasing MP supplies resulted in increased milk protein yield; however, a higher BUN and low MNE indicated an efficient utilization of dietary protein at low MP supplies.

• Journal of Aquaculture
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• v.20 no.2
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• pp.114-120
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• 2007

Two feeding experiments were conducted to evaluate the effects of the experimental extruded pellet (EP), commercial EP and raw fish-based moist pellet (MP) on growth of growing flounder (Paralichthys olivaceus). In experiment 1, two replicate groups of the fish (average body weight of $115{\pm}3.2\;g$) were fed one of five experimental diets (EP1-EP5) and MP in circular concrete tanks (4.6 m $\phi$, 0.6 m depth) for 78 days. In experiment 2, in order to evaluate EP in the commercial scale ($8\;m\;{\times}\;8\;m$), flounder (average body weight of $137{\pm}11.4\;g$) were fed one of five EPs (EP1-EP5) used in experiment 1, commercial EP (EP6) and two MEPs (MEP4 and MEP6) as moist pellet types which were made from EP4 and EP6, respectively, by being sprayed with a mixture of water and additives for 80 days. In experiment 1, weight gain of fish fed the all EPs was not significantly different from that of MP. Feed efficiency of fish fed the EP4 was highest, and protein efficiency ratio of fish fed the EP4 and EP5 was significantly higher than that of fish fed the MP (P<0.05). Significant differences were observed in the contents of moisture and crude lipid in the muscle, and moisture in the liver of fish (P<0.05). In experiment 2, weight gain of fish fed the EP4 and MEP4 were highest and feed efficiency showed high tendency in EP4, MEP4 and MEP6. Fish fed the MEP6 showed higher weight gain and feed efficiency compared to those of fish fed the EP6, but there was no difference in those of fish fed EP4 and MEP4. Based on the results of this study, dietary formulations used in EPs could be most recommendable applied in the practical extruded pellet feeds for flounder grown from 114 g to 350 g.

• Bulletin of the Korean Chemical Society
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• v.21 no.9
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• pp.882-890
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• 2000

Ab initio calculations are carried out on protonation equilibria of 5-memberedheteroaromatic aldehydes (5MHAs;heteroatom Y = NH, O, PH,and S and substituentZ = NH2, OCH3, SCH3, CH3, H, Cl, CHO, CN,NO2) at the $MP2}6-31G*$ level. Naturalbond orbital (NBO) analyses show that the optimal localized natural Lewis structures of the protonated aldehydes,(P), are ortho (C3) protonated (for Y = O, PH and S) and N-pro-tonated (for Y = NH) forms in contrast to the standard structural Lewis formula for aldehydes, (R). The delo-calizability of ${\pilone}-pairon$ the heteroatom $(n{\pi}(Y))$ is in the order Y = NH > O > S > PH. The transmission efficiency of (Z) substituent effects to the carbonyl moiety run parallel to the delocalizability of $n{\pi}(Y)$ for R,but is dominantly influenced by the cationic charge on $C{\alpha}(C{\alpha}+)$ for P, which is in the reverse order of thede-localizability of $n{\pi}(Y).$ The Hammett ${\rho}values$ for variation of Z in the protonation are determined by the dif-ference in the transmission efficiencies between Pand R stateat simple interpretation of their magnitude is not warranted. However,the magnitude of the gas-phase ${\rho}z+$ values decreases as the level ofcomputation is raised from RHF/3-21G* to RHF/6-31G* and to $MP2}6-31G*$ but increases again at the MP4SDQ/6-31G* level. Further decrease occurs when solvent effect (water) is accounted for by the SCRF method. Comparison of the SCRF ${\rho}z+values$ with those determined in the aqueous acid solution for Y = S and CHCH shows inadequacy of accounting for the solvent effects on the ${\rho}values$ by a continuum model. It is noteworthy that semiempirical calculations, especially theAM1 method, give even lower magnitude of the gas-phase ${\rho}values.

• Journal of Aquaculture
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• v.18 no.1
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• pp.26-30
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• 2005

A 10-week feeding trial was conducted to determine the optimum feeding rate of two extruded pellets (EP1 and EP2) and raw fish-based moist pellet (MP) for juvenile flounder. Two replicate groups of the fish (average weight of 27 g) were fed EP and MP three times daily at different feeding rate (satiation and $85\%$ satiation). Weight gain of fish was not affected by diet, but affected by feeding rate. Weight gain with satiation feeding group showed :t tendency to higher compared to that of fish with $85\%$ satiation feeding at the same diet. Feed efficiency of fish was affected by diet, but not feeding rate. Feed efficiency of fish fed the EP1 and EP2 was higher than that of fish fed the MP at the same feeding rate. Daily feed intake was affected by diet and feeding rate. Daily feed intake of fish fed with satiation was higher than that of fish with $85\%$ satiation at same diet, and this variable of fish fed the MP was higher than that of fish fed the EP 1 and EP2. Protein efficiency ratio of fish fed the MP was significantly lower than that of fish fed the EP1 and EP2 regardless of feeding rate. Lipid content of whole body was affected by diet, and that of fish fed the EP2 and MP at satiation feeding was the highest. It can be concluded that satiation feeding will be good and EP is better than MP for growth of juvenile flounder grown from 27 g to 51 g.

• Food Science of Animal Resources
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• v.34 no.2
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• pp.207-213
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• 2014

This study investigated the effects of microbial transglutaminase (MTGase) and pH-shift processing on the functional properties of porcine myofibrillar proteins (MP). The pH-shift processing was carried out by decreasing the pH of MP suspension to 3.0, followed by re-adjustment to pH 6.2. The native (CM) and pH-shifted MP (PM) was reacted with and without MTGase, and the gelling and emulsion characteristics were compared. To compare the pH-shifted MTGase-treated MP (PT), deamidation (DM) was conducted by reacting MTGase with MP at pH 3.0. Rigid thermal gel was produced by MTGase-treated native MP (CT) and PT. PM and DM showed the lowest storage modulus (G') at the end of thermal scanning. Both MTGase and pH-shifting produced harder MP gel, and the highest gel strength was obtained in PT. All treatments yielded lower than CM, and CT showed significantly higher yield than PM and DM treatments. For emulsion characteristics, pH-shifting improved the emulsifying ability of MP-stabilized emulsion, while the treatments had lower emulsion stability. PM-stabilized emulsion exhibited the lowest creaming stability among all treatments. The emulsion stability could be improved by the usage of MTGase. The results indicated that pH-shifting combined with MTGase had a potential application to modify or improve functional properties of MP in manufacturing of meat products.