• Korean Journal of Community Nutrition
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• v.3 no.3
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• pp.430-439
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• 1998

This study was performed to investigate the nutritional status of neurosurgical tube-fed patients. The objective of this study was to improve the nutrition management of tube-fed patients. The current practices of tube feeding and enteral nutrition formula as for 95 patients in the hospital were examined by reviewing patients charts, and interviewing patients, nurses and their family members. The results are summarized as follows ; 57.9% of patients that received the formula showed a decrease in mental status. Among the subjects, 55.7% had nervous system diseases due to old age. Most of the tube-fed patients were hospitalized in the emergency room and while hospitalized, the status of their respiratory organ was abnormal. The method of tube-feeding was by Bolus injection and the type of the tube was a 16Fr size silicone tube. The amount of the injection per day while tube-feeding was on average 1424kcal for men and 1322kcal for women and the calories per day ranged from 1000-1500kcal(50.5%). The injection volume averaged 332.7ml and 45% of patients received more than 300ml per injection. The tube feeding intake rate was 127.9ml/min with 50% of subjects in the range of 50-100ml/min and 10% at 20ml/min. The longer the hospitalization, the older age, coma status, and the higher tube feeding rate, the more decreased were the biochemical parameters.

• Bulletin of the Korean Chemical Society
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• v.20 no.8
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• pp.948-952
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• 1999

Electrophilic substitutions on β-position of 2,5-dimethyl pyrrole have been investigated theoretically. The electron donating methyl groups enrich electron densities on C-3, C-4 positions and π* interactions with methyl groups substituted on C-2 and C-5 positions pushed up the HOMO level of the pyrroles consequently induce rapid substitutions on C-3, C-4 sites. Substitution of phenylsulfonyl group on nitrogen stabilized LUMO levels through weak π bonding interactions. Unexpected deoxidation reaction underwent on the sulfonyl group substituted at C-3 position. The structures were solved by X-ray crystallography. Meanwhile, gas phase HF/6-31G* and density functional method (B3LYP/6-31G*) calculations gave favorable energies for 1-phenylsulfinyl pyrrole (6) over 3-phenylsulfinyl pyrrole (5) by 3.6-4.7 kcal/mol which is contrary to the experimental result. However the methods involve the effects of molecular polarizability and solvent, molecular dynamics (MD) and ab-initio self consistent reaction field (SCRF) calculations showed same trend as experiments. According to MD calculations, compound 5 is more stable than compound 6 by 4.15 kcal/mol and the SCRF, HF/6-31G* calculations gave more stable energy value for structure 5 than 6 by 0.03 kcal/mol.

• Bulletin of the Korean Chemical Society
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• v.16 no.5
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• pp.410-416
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• 1995

The proton transfer energies of gas phase glycine and alanine and those of hydrated glycine and alanine were calculated both with Hartree-Fock and $M{\Phi}ller-Plesset$ ab initio molecular orbital (MO) calculations with 6-31G** basis set. The transition states of the proton transfer of gas phase glycine was also investigated. For zwitterions, both for glycine and alanine, the water bound to -NH3+ site stabilize the complex more compared with the water bound to -CO2-. The proton transfer energy, ΔEpt, of glycine, alanine, mono-hydrated glycine, mono-hydrated alanine, di-hydrated glycine and di-hydrated alanine were obtained as 30.78 (MP2: 22.57), 31.43, 23.99 (MP2: 17.00), 24.98, 22.87, and 25.63 kcal/mol, respectively. The activation energy for proton transfer from neutral (Nt) glycine to zwitterion (Zw) glycine, Ea, was obtained as 16.13 kcal/mol and that for reverse process, Ear, was obtained as 0.85 kcal/mol. Since the transition state of the proton transfer of gas phase glycine locate near the glycine zwitterion on the potential energy surface and the shape of the potential well of the zwitterion is shallow, the zwitterion easily changed to neutral glycine through the proton transfer.

• Bulletin of the Korean Chemical Society
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• v.21 no.5
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• pp.503-509
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• 2000

The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for $Rb^+$ to $K^+$ mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory(SPT). In comparing the relative free energies for interconversion of one ion pair, $Rb^+$ to $K^+$, in $H_2O$(TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study with the relative free energies of the computert simulations and the experimental, we found that the figure in this study is $-5.00\pm0.11$ kcal/mol and those of the computer simulations are $-5.40\pm1.9$, -5.5, and -5.4 kcal/mol. The experimental is -5.1 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the $Rb^+$ and $K^+$ ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients.

• Bulletin of the Korean Chemical Society
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• v.14 no.6
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• pp.669-673
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• 1993

The CO substitution reactions of the complex, $Cp(S-2,4-Me_2C_5H_5)CrCo$ with $PR_3(PR_3=PMePh_2,\;P(OCH_3)_3,\;PMe_2Ph)$ were investigated spectrophotometrically at various temperatures. From the reaction rates, it was suggested that the CO substitution reaction took place by first-order (dissociative) pathway. Activation parameters in decaline were ${\Delta}H^{\neq}\;=\;22.0\;kcal{\cdot}mol^{-1}$, ${\Delta}S^{\neq}=\;-3.8cal{\cdot}mol^{-1}{\cdot}K^{-1}$. Unusually low value of ${\Delta}S{\neq}$ suggests an ${\eta}^5-S{\to}{\eta}^5-U$ conversion of the pentadienyl ligand. This suggestion was confirmed by the Extended-Huckel molecular orbital (EHMO) calculations, which revealed that the total energy of $Cp(S-2,4-Me_2C_5H_5$)CrCO is about 0.42 kcal/mol more lower than that of $Cp(U-2,4-Me_2C_5H_5)CrCO$ and the energy of $[Cp(U-2,4-Me_2C_5H_5)Cr{\cdots}CO]^{\neq} $ transition state is about 2.43 kcal/mol lower than that of $[Cp(S-2,4-Me_2C_5H_5)Cr{\cdots}CO]^{\neq}$ transition state.

• The Korean Journal of Food & Health Convergence
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• v.5 no.2
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• pp.35-43
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• 2019

The effect of pan frying method was evaluated for proximate composition of selected fish species Pampus argenteus, Lethrinus nebulosus and Acanthopagarus arabicus which were determined by standard procedures. Proximate compositions found in the frying fillets were different to the raw fish samples. The moisture content seems to decrease in all fried samples. The reason of moisture loss at the time of frying produced is excessive protein amount in fried fish as compare to raw fish. Protein content seemed to increase in Pampus argentus > Lethrinus nebulosus and >Acanthopagrus arabicus in their particular fried form. The outcomes shown that protein content was in the ranges of 14.83-25.07 g/100g in fried samples, while the fat content was between 3.76-9.77 g/100 g. The energy content was the highest in the fried fish Lethrinus nebulosus (236 kcal/100 g), Pampus argentus (161 kcal/100 g) and Acanthopagrus arabicus (135 kcal/100 g). The information achieved in this study would be very important to fish consumers, processors and nutritionists to academically increase their awareness regarding the nutrients contents in selected fish species.

• Bulletin of the Korean Chemical Society
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• v.6 no.4
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• pp.196-202
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• 1985

A Very Low Pressure Reactor (VLPR) is constructed for the kinetic study of atom-molecule bimolecular elementary reactions. The basic principles and the versatility of the method are described. By using the VLPR technique the forward (k1) and the reverse (k-1) rate constants for Br atom reaction with trimethylsilane are studied; Br + $(CH_3)_3$SiH k1 ${\leftrightarrow}$ k-1 HBr + $(CH_3)_3$Si. From the kinetic data and the entropy estimation the bond dissociation energy for Si-H bond in trimethylsilane is calculated to be 90.1 kcal/mole $({\pm}1.1$ kcal/mole). The Arrhenius parameters for k1 are found to be log A = 10.6 l/mole·sec, $E_a$ = 4.4 kcal/mole respectively. For the comparison purpose analogous reaction for carbon compound ; Br + $(CH_3)_3$CH ${\rightarrow}$ HBr + $(CH_3)_3$C was also studied. The corresponding rate constant and equilibrium constant at $25^{\circ}C$ are found to be 2.67 ${\times}$ $10^6l$/mole${\cdot}$sec and 160 respectively.

• Bulletin of the Korean Chemical Society
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• v.14 no.2
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• pp.207-211
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• 1993

The CO substitution reactions in the complex, $Cp(S-C_5H_7)CrCO$ with $PR_3(PR_3=PMePh_2,\;P(OCH_3)_3,\;PMe_2Ph)$ were investigated spectrophotometrically at various temperatures. From the reaction rates, it was suggested that the CO substitution reaction takes place by first-order (dissociative) pathway. Activation parameters in decaline are ${\Delta}H^{\neq}\;=\;24.58\;kcal\;{\cdot}\;mol^{-1},\;{\Delta}S^{\neq}\;=\;3.05 cal\;{\cdot}\;mol^{-1}{\cdot}K^{-1}$. Unusually low value of ${\Delta}S^{\neq}$ suggests an ${\eta}^5-S\;{\to}\;{\eta}^5-U$ conversion of the pentadienyl ligand. This was confirmed by the extended-Huckel molecular orbital (EHMO) calculations, which revealed that the total energy Of $Cp(S-C_5H_7)CrCO$ is about 6.84 kcal/mol more stable than that of $Cp(U-C_5H_7)CrCO$ and the energy of $[Cp(U-C_5H_7)CrCO^{\neq}$ transition state is about 4.25 kcal/mol lower than that of $[Cp(S-C_5H_7)Cr]^{\neq}$ transition state.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.265-270
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• 1991

Theoretical calculations on the stabilization energies of framework atoms in hydrolyses Co(Ⅱ )-exchanged zeolite A were made using some potential energy functions and optimization program. The protons which are produced by hydrolysis of $[Co(H_2O)_n]^{2+}$ ion in large cavity showed a tendency to attack the framework oxygen atom O(1) preferentially, and the oxygen atom O(4) within OH- ion was coordinated at Al atom. The weakness of bonds between T(Si, Al) and oxygen by attack of proton and too large coordination number around small aluminum atom will make the framework of Co(Ⅱ)-exchanged zeolite A more unstable. The stabilization energy of $Co_4Na_4$-A framework (- 361.57 kcal/mol) was less than that of thermally stable zeolite A($Na_{12-}$A: - 419.68 kcal/mol) and greater than that of extremely unstable Ba(Ⅱ)-exchanged zeolite A($Ba_{6-}$A: - 324.01 kcal/mol). All the data of powder X-ray diffraction, infrared and Raman spectroscopy of Co(Ⅱ)-exchanged zeolite A showed the evidence of instability of its framework in agreement with the theoretical calculation. Three different groups of water molecules are found in hydrated Co(Ⅱ )-exchanged zeolite A; W(Ⅰ) group of water molecules having only hydrogen-bonds, W(Ⅱ) group water coordinated to $Na^+$ ion, ans W(Ⅲ) group water coordinated to Co(Ⅱ) ion. The averaged interaction energy of each water group shows the decreasing order of W(Ⅲ)>W(Ⅱ)>W(Ⅰ).

• 한국신재생에너지학회:학술대회논문집
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• 2010.06a
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• pp.247-247
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• 2010

본 연구는 주류 제조과정에서 발생하는 생전분발효 부산물을 펠릿(pellet)연료로 전환하는 과정에서 효율적인 방법에 대해 기술한다. 술을 정제하는 과정에서 발생하는 주박을 펠릿화하고 재생청정에너지인 폐자원의 효율성을 높이기 위한 방법을 제안한다. 술을 정제하고 남은 지게미를 주박(酒粕, 술지게미)이라 하고 흔히 부드러운 것을 단단하게 뭉친 알갱이를 펠릿이라 한다. 현재 펠릿화는 폐목재를 분쇄후 성형, 가공하여 목재펠릿을 만들어 상용화하고 있다. 목재펠릿은 성형, 가공하는데 비용이 주박보다 많이 들고 열량도 더 낮음을 확인하였다. 목재소에서 나온 나무(톱밥)와 주박을 열량측정기를 이용하여 측정한 결과로 나무는 약 1850 Kcal이고 주박은 약 1989 Kcal가 측정되었다. 나무는 일반 목재소 세 곳에서 채취한 것이고 주박은 막걸리, 약주 및 청주의 술지게미를 실험에 사용한다. 주류업체에서도 술을 정제하고 남은 주박을 처리하는데 많은 곤란과 비용이 든다. 또한 주박을 해양에 투척하여 처리해 왔으나 2012년부터 해양투기가 금지되어 더욱 처리에 곤란을 겪게 된다. 최근 주박을 토양개량제(비료)로 개발하여 사용하기도 하나 본 연구에서 제안하는 장점은 농산물을 재배해서 주류제조시 발생되는 주박을 펠릿화하여 연료로 사용하고 남은 재를 토양개량제로 사용하는 장점이 있다. 제품의 전체 라이프 사이클을 통해 환경으로 방출되는 모든 것을 가능한 한 0(zero)으로 하는 활동인 제로-이미션(zero-emision)이 된다. 이는 단순히 배출량만을 줄이는 것이 아니라 폐기물을 유용한 자원으로 활용한다는 측면이 가장 큰 이점이 된다. 주박의 효율성을 높이기 위해 주박을 종류별로 주박과 목재를 섞는 방법으로 열량을 측정하였다. 먼저 열량이 높은 순서로 막걸리 주박과 약주 주박의 비율을 1:1, 1:0.5, 1:0.2, 두 번째 막걸리 주박과 청주 주박의 비율을 1:1, 1:0.5, 1:0.2, 세 번째 막걸리 주박과 나무 톱밥의 비율을 1:1, 1:0.5, 1:0.2로 섞어서 열량을 측정하였다. 열량이 높은 순서는 세 번째(2015Kcal), 두 번째(1995Kcal), 첫 번째(1868Kcal)의 순이었다. 가장 열량이 높은 막걸리 주박과 나무 톱밥을 섞은 것이 가장 효율성이 높다. 주박 펠릿의 장점은 친환경적인 소재이고 지속적으로 재생이 가능한 에너지원이다. 더욱이 주박 펠릿은 발열량이 높고 다른 바이오매스 원료에 비해 청정하다는 큰 장점을 지니고 있다. 또한 사용에 소요되는 유지 관리비용을 최소화할 수 있고 자동화가 가능하여 사용에 편리하다. 가격면에서 화석연료에 비해 안정적이고 체적 또한 작아 이송의 큰 장점을 가지고 있다. 현재 펠릿의 경우는 목재펠릿이 제품화되어 있지만 주박을 이용하여 제품의 펠릿화를 통한 연료원으로 사용하는 경우는 전 세계 전무한 상태로 폐자원을 재사용하는 효율성이 제시된다. 향후 과제로 주박을 이용한 펠릿 연료원의 기술이 개발되고 기계적인 시스템을 개발하면 저탄소 녹색성장 신재생에너지 연료의 획기적인 미래형 에너지시스템이 될 것이다.