• Bulletin of the Korean Chemical Society
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• v.18 no.8
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• pp.880-886
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• 1997

Ab initio calculations were carried out on the gas phase acid-catalyzed hydrolysis reactions of sulfinamide using the 3-21G* basis sets. Single point calculations were also performed at the MP2/6-31G* level. The first step in the acid-catalyzed hydrolysis of N-methylmethanesulfinamide, Ⅰ, involves protonation. The most favorable form is the O-protonated one, Ⅱ, which is then transformed into a sulfurane intermediate, Ⅲ, by addition of a water molecule. The reaction proceeds further by an intramolecular proton transfer from O to N (TS2), which is followed by N-S bond cleavage (TS3) leading to the final products. The rate determining step is the N-S bond cleavage (TS3) at the RHF/3-21G* level, whereas it becomes indeterminable at the MP2/6-31G*//3-21G* level of theory. However, the substituent effect studies with N-protonated N-arylmethanesulfinamide, ⅩⅢ, at the MP2/6-31G*//3-21G* level support the N-S bond breaking step as rate limiting.

• Korean Journal of Weed Science
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• v.30 no.3
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• pp.300-307
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• 2010

Greenhouse experiment was conducted to evaluate tolerance of six rice cultivars, three Indica${\times}$Japonica rice (long grain, cv. Dasanbyeo, Segejinmi and Hanareumbyeo) and three Japonica rice (short grain, Nampyung, Ilpumbyeo and Junamjosaeng) cultivars, to mesotrione+pretilachlor (MP) and bensulfuron-methyl+mesotrione+pretilachlor+pyriftalid (BMPP) in transplanting rice. Two herbicides were applied at 90 g and 180 g a.i. $ha^{-1}$ to three to four leaf stage rice at 5 and 15 days after transplanting, respectively. Related study was also conducted to compare $GR_{50}$ for Indica${\times}$Japonica and Japonica rice cultivars at different MP rates. Response to two herbicides varied with respect to rice cultivars and herbicide rates. All Indica${\times}$Japonica rice cultivars exhibited susceptible to both MP and BMPP as reflected by increased visual injury, shorter plant height and higher plant dry matter reduction when compared with nontreated rice cutlivars. The degree of foliar chlorosis by MP at 90 g a.i. $ha^{-1}$ was 5~6 at 7 days after treatment(DAT) but it was decreased to 3~6 at 14DAT. The degree of leaf chlorosis treated with 180 g a.i. $ha^{-1}$ MP was 6~7 at 7DAT and it was also decreased to 3~8 at 14 DAT. The plant hight of Indica${\times}$Japonica rices was inhibited by 18~43% at application of 90 g a.i. $ha^{-1}$ MP and 30~50% at 180 g a.i. $ha^{-1}$ MP. The dry matter reduction was greater than that of plant height inhibition, showing 46~73% at 90 g a.i. $ha^{-1}$ MP and 65~82% at 180 g a.i. $ha^{-1}$ MP. Similar leaf chlorosis injury and growth inhibition of rice cultivars was observed in the BMPP treatment. The injury and growth inhibition by MP and BMPP increased with increase in herbicide rate from 90 g a.i. $ha^{-1}$ to 180 g a.i. $ha^{-1}$. However, most of the Japonica cultivars are tolerant to MP and BMPP at both rates. There was no visible leaf chlorosis but plant height and dry matter production were slightly reduced at 180 g a.i. $ha^{-1}$. Based on $GR_{50}$ value determined in reduction of shoot dry weight for MP, the Indica${\times}$Japonica rice showed 12.9 fold lower compared with the Japonica rice. The result indicates that rice cultivars vary in tolerance to herbicides of MP and BMPP and Indica${\times}$Japonica rices were more susceptible than the Japonica rices to the MP and BMPP.

• Korean Journal of Agricultural Science
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• v.47 no.3
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• pp.415-424
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• 2020

This study investigated the effects of an ethylene scrubber (ES) with a micro-perforated polypropylene (MP-PP, 30 ㎛) or a high density polyethylene (MP-HDPE, 30 ㎛) film liner for the export carton packaging box in 'Campbell Early' grapes. Rachis browning was highest in the untreated group, followed by MP-PP and MP-HDPE for 14 days of simulated marketing at 20℃. The combination treatment of ES with the film liners showed a partial inhibition of the rachis browning regardless of the film liners. The effects of an alcohol releaser (AR) sachet or chlorine dioxide (CD) diffuser co-packaging were also investigated in the 'Campbell Early' grapes packed with the MP-HDPE (40 × 99 pin hole·m^-2) film liner. The CD 1 g treatment showed a very limited weight loss of 1.1%, which was significantly lower than the 4.7% of the untreated control after 14 days of simulation marketing at 20℃. The berry shatter was 0.7% for the MP-HDPE + CD 1 g treatment and 1.8% for the MP-HDPE + CD 5 g treatment on the 10th day of the simulated marketing, which was significantly lower than the 8.9% of the control. The stem browning was significant suppressed until the 10th day of the simulated marketing. In particular, the CD 1 g treatment in combination with the MP-HDPE showed a low rachis and pedicel browning index of 2.0, which is 50% and 40% lower than that of the untreated control and the MP-HDPE single treatment, respectively. In addition, the CD 1 g treatment group showed a higher decay reduction effect than the CD 5 g treatment group, which caused high concentration damage.

• Journal of the Korean Chemical Society
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• v.52 no.3
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• pp.322-327
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• 2008

The geometrical structure, binding energy and vibrational frequencies of HOOCl-H2O cluster were investigated with MP2/6-311G(d,p) and MP2/6-311G(2d,2p) methods. The most stable conformer is skew HOOCl-H2O cluster and the binding energy was 46~48kJ/mol. The trans HOOCl-H2O cluster is less stable than skew form, but the binding energy is big enough to stablize the complex. The vibrational frequencies of skew and trans HOOCl-H2O cluster were calculated and compared with the spectrum of HOOCl.

• Journal of Aquaculture
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• v.18 no.4
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• pp.287-292
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• 2005

An 8-week of growth feeding trial was conducted to evaluate effects of the experimental extruded pellet (EP), commercial EP and raw fish-based moist pellet (MP) for growing flounder (Paralichthys olivaceus). Three replicate groups of the fish average weighing 43.5 g were fed four experimental diets (EP1, EP2, EP3 and EP4), four commercial diets (EP5, EP6, EP7 and EP8) and MP. Weight gain of fish fed the EP2, EP3 and EP4 was the highest among treatments, but not significantly different to that of fish fed the EPl, EP7 and MP. Feed efficiency and protein efficiency ratio of fish fed the MP were the lowest among treatments, but daily feed intake and daily protein intake of fish fed the MP were the highest among treatments. Moisture, lipid and ash contents of whole body were affected by diets, but protein content was not affected by diets. It is concluded that the dietary formulations used in the EP2, EP3 and EP4 can be applied in the practical exuded pellet feeds for growing flounder of 42-108g size.

• Food Science and Preservation
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• v.31 no.2
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• pp.245-255
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• 2024

The proximate composition, quality characteristics, antioxidant activity, and sensory evaluation scores of yakgwa added with mealworm powder (MP) were examined. MP contained 5.83 wt% moisture, 55.70 wt% crude protein, 35.96 wt% crude fat, 3.70 wt% crude ash, and 2.43 wt% carbohydrate and feature total polyphenol and flavonoid contents of 406.52 mg GAE/100 g and 21.18 mg NE/100 g, respectively. The DPPH and ABTS^•+ radical scavenging activities and the reducing power of MP were determined as 90.25%, 44.06%, and 1.74, respectively. Except for moisture and carbohydrate content, the proximate composition of mealworm yakgwa (MY) increased with the amount of MP increased. The pH of the dough increased with the addition of MP, whereas the expansion degree tended to decrease. Sugar content was highest at MP contents of 0 wt% and 12 wt% (FM4 group), and hardness was lowest in the FM4 group. With the increasing MP content, the L, b values and antioxidant activity increased, whereas a value decreased. The sensory evaluation scores for the overall preference, appearance, color, and taste were lowest in the FM4 group. These results suggested that MP contents of 6-9 wt% were optimal for mealworm-based yakgwa.

• Journal of the Korean Chemical Society
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• v.48 no.3
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• pp.229-235
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• 2004

For the study of hydrogen bonding phenomenon of high energetic compounds, we have been carried out a theoretical calculations for the nitromethane with the program Gaussian-98. The calculations at levels of restricted BLYP/6-311++G(d,p), B3LYP/6-311++G(d,p) and MP2/6-311++G have been performed to obtain molecular structures, hydrogen bonding effects and vibrational spectra of nitromethane monomer and dimer. The results show nitromethane is favored to make two hydrogen bonds between molecules and the nitromethane dimer is more stable than the monomer about 15.2, 19.4 and 32.6 kJ/mol for the BLYP, B3LYP, and MP2 level calculations, respectively.

• Bulletin of the Korean Chemical Society
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• v.20 no.5
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• pp.559-566
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• 1999

Gas-phase alkylations of delocalized ambident anions, Y---CH---X- where X, Y=CH2, O, or S, have been investigated theoretically at the MP2/6-31+G*//MP2/6-31+G* and QCISD/6-31+G*//MP2/6-31+G* lev-els. O-and S-alkylations (X=O and S) are more favored kinetically by ΔE^≠ = 4.6 and 9.8 kcal mol-1 than the respective C-alkylations even though they are thermodynamically less favored by 22.4 and 6.0 kcal mol-1 respectively. It was found that the transition structures for the C-alkylations are imbalanced due to the endoergic rehybridi-zation of the carbon center from sp2 to sp3 which leads to premature bond contraction of the C-Y bond and delayed bond stretching of the C-X bond. In the O-, or S-alkylation, such endoergic process is not required since the σ-lone pair on O or S is involved in the initial stage of alkylation. The imbalanced TSs for the C-alkylation are accompanied by higher intrinsic barriers and deformation energies.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3718-3722
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• 2010

Theoretical investigations are carried out on the title reaction by means of ab-initio and DFT methods. The optimized geometries, frequencies and minimum energy path are obtained at UB3LYP/6-311G(d,p) level. Single point energy calculations are performed at MP2 and MP4 levels of theory. Energetics are further refined by calculating the energy of the species with a modified Gaussian-2 method, G2M(CC,MP2). The rate constant of the reaction is calculated using Canonical Transition State Theory (CTST) utilizing the ab-initio data obtained during the present study and is found to be $5.47{\times}10^{-12}\;cm^3\;molecule^{-1}s^{-1}$ at 298 K and 1 atm.

• KSII Transactions on Internet and Information Systems (TIIS)
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• v.11 no.2
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• pp.650-669
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• 2017

Coordinated multiple points transmission and reception (CoMP) technology is used to mitigate the inter-cell interference, and increase cell average user normalized throughput and cell edge user normalized throughput. There are two kinds of radio resource schedule strategies in LTE-A/5G CoMP system, and they are called centralized scheduling strategy and distributed scheduling strategy. The regional centralized scheduling cannot solve interference of inter-region, and the distributed scheduling leads to worse efficiency in the utilize of resources. In this paper, a novel distributed scheduling scheme named 9-Cell alternate authorization (9-CAA) is proposed. In our scheme, time-domain resources are divided orthogonally by coloring theory for inter-region cooperation in 9-Cell scenario [6]. Then, we provide a formula based on 0-1 integer programming to get chromatic number in 9-CAA. Moreover, a feasible optimal chromatic number search algorithm named CNS-9CAA is proposed. In addition, this scheme is expanded to 3-Cell scenario, and name it 3-Cell alternate authorization (3-CAA). At last, simulation results indicate that 9/3-CAA scheme exceed All CU CoMP, 9/3C CU CoMP and DLC resource scheduling scheme in cell average user normalized throughput. Especially, compared with the non-CoMP scheme as a benchmark, the 9-CAA and 3-CAA have improved the edge user normalized throughput by 17.2% and 13.0% respectively.