• Bulletin of the Korean Chemical Society
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• 제26권12호
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• pp.2007-2016
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• 2005

An artificial neural network (ANN) is successfully presented for prediction acidity constant (pKa) of various benzoic acids and phenols with diverse chemical structures using a nonlinear quantitative structure-property relationship. A three-layered feed forward ANN with back-propagation of error was generated using six molecular descriptors appearing in the multi-parameter linear regression (MLR) model. The polarizability term $(\pi_1)$, most positive charge of acidic hydrogen atom $(q^+)$, molecular weight (MW), most negative charge of the acidic oxygen atom $(q^-)$, the hydrogen-bond accepting ability $(\epsilon_B)$ and partial charge weighted topological electronic (PCWTE) descriptors are inputs and its output is pKa. It was found that properly selected and trained neural network with 205 compounds could fairly represent dependence of the acidity constant on molecular descriptors. For evaluation of the predictive power of the generated ANN, an optimized network was applied for prediction pKa values of 37 compounds in the prediction set, which were not used in the optimization procedure. Squared correlation coefficient $(R^2)$ and root mean square error (RMSE) of 0.9147 and 0.9388 for prediction set by the MLR model should be compared with the values of 0.9939 and 0.2575 by the ANN model. These improvements are due to the fact that acidity constant of benzoic acids and phenols in water shows nonlinear correlations with the molecular descriptors.

• Bulletin of the Korean Chemical Society
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• 제22권6호
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• pp.559-564
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• 2001

A method for calculating the main characteristics of a potentiometric titration curve in a carboxylic ion exchanger has been investigated. The potentiometric titration curves of simple electrolyte and ion exchangers (polyelectrolytes) showed a great difference between them. The acidity parameters of the ion exchangers, the thermodynamic constant (pK0), apparent equilibrium constant (K), and correction for the apparent equilibrium constant (b), were introduced and used to express the characteristics of the carboxylic ion exchanger. A characteristic equation related to the acidity parameters of the ion exchangers systems was derived. A fibrous carboxylic cation exchanger was used and potentiometric titration curves at different concentrations of the supporting electrolyte were obtained . To prove the validity of the characteristic equation, the concentration of the supporting electroyte was varied. In the present study, good agreement between the data points and the fitted curves was found in all the cases. The g (number of moles of alkali to 1 g of ion exchanger) of carboxylic ion exchanger was calculated from the concentration of supporting electrolyte (C), pH of the solution, and degree of neutralization of ion exchanger (x).

• Korean Chemical Engineering Research
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• 제57권2호
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• pp.164-171
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• 2019

The protonation parameters, dissociation constants ($pK_{BH^+}$) of conjugate acid, slope values (m, ${\phi}$ and $m^*$) and correlation coefficients (r) of hydroxamic acids were determined by Hammett acidity function method, Bunnett-Olsen method and excess acidity method in hydrochloric and perchloric acid solutions. Effect of acid concentration on partition and percentage protonation was also studied. $pK_{BH^+}$ values show that hydroxamic acids do not behave as Hammett bases, but hydroxamic acids behave as weak bases in strong acidic solutions. The values of $pK_{BH^+}$ obtained through Bunnett-Olsen method and excess acidity method were compared with the Hammett acidity function. ChemAxon's MarvinSketch 6.1.5 software was also used for determining $pK_a$, pI and microspecies distribution (%) of hydroxamic acids with pH. Hydrogen donor and acceptor values and logD were also obtained. The results show that N-p-chlorophenyl-4-bromobenzohydroxamic acid has the highest $pK_a$ and lowest logD values. On the contrary, N-phenyl-3,5-dinitrobenzohydroxamic acid has lowest the $pK_a$ and highest logD values.

• 한국식품영양과학회지
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• 제26권6호
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• pp.1021-1027
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• 1997

$CO_2$production in fermentation of dongchimi was measured and interrelated with changes in pH and titratable acidity. The effects of salt content and temperature on $CO_2$production rate were analysed. Fermentation of dongchimi showed drastic pH decrease in early stage and subsequent levelling off around 3.9, with linearly increased acidity up to 0.3~0.4% optimum quality. $CO_2$production of dongchimi could be analysed to consist of two consecutive stages of constant rate. The first stage $CO_2$production of higher rate moved to the second stage of lower rate when acidity rose beyond 0.3%. When compared to those of 1 and 2% salt content, dongchimi of 3% salt showed lower $CO_2$production rate in the 1st stage and slower acidity change through the whole fermentation period. However, it resulted in the product of highest $CO_2$accumulation at optimal ripeness because of consistent $CO_2$production of longer 1st stage period and relatively high $CO_2$production rate in 2nd stage. $CO_2$production depended on temperature less compared to acidity change(activation energy: 57.3 and 44.3kJ/mol for $CO_2$production of 1st and 2nd stages, respectively; 79.3kJ/mol for acidity change), which means higher ratio of $CO_2$production rate relative to acidity increase at lower temperature. Slower increase in acidity at low temperature also was shown to extend the period of 1st stage $CO_2$production. Therefore, low temperature fermentation was effective in producing the high $CO_2$content dongchimi at adequate acidity, which is desirable organoleptically.

• 한국잠사곤충학회지
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• 제15권2호
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• pp.45-53
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• 1973

1. 용수의 M-알카리도가 높을수록 견층 sericin의 용해도는 급격히 증가 하였다. 2. 처리후의 시수 조사결과 M-알카리도 25p.p.m. 이상애서 산도는 완전히 중화되었다. 3. 시수의 M-알카리도가 상승함에 따라 처리후의 M-알카리도도 증가 하였다. 즉 견층을 처리한 시수의 M-알카리도가 높을수록 견층내의 M-알카리도 용출량도 증가하는 경향이 있었다. 4. 총경도는 시수의 M-알카리도가 증가 하는데 따라 감소하는 경향을 나타 내었다. .5. 用水의 산도가 높을수록 견층 sericin의 용해도는 현저히 감소되는 경향을 나타내었다. 6. 공시견 처리후의 수질변화를 보면 시수의 산도가 증가함에 따라 처리후 시수의 산도와 경도도 현저히 상승하는 반면 M-알카리도는 시수의 산도 20~40p.p.m. 에서 완전 중화되어 40p.p.m. 이상의 시수에서는 처리후 M-알카리도를 발견할 수 없었다. 7. 용수율의 철분 함유량이 증가하는데 따라 견층 sericin 용해도는 서서히 감소되는 경향이 있었다. 또한 망강에서는 용수중의 망강이 증가하는데 따라 견층 sericin 용해도는 다소 감소 하였으나 그 경향은 매우 완만하였다. 8. 견층 처리후의 수질변화를 보면 산도 M-알카리도 및 총경도가 상당량 견층에서 용출된 것을 볼 수 있었으나 이것은 시수의 pH 및 처리온도에 의한 것으로 보여지며 철분 함유량과는 아무런 관계도 인정할 수 없었다. 또한 망강에서는 시험후 수질변화를 조사한 결과 시수의 망강 함유량이 증가 하는데 따라 처리후의 M-알카리도는 감소 하였으나 산도 및 총경도는 증가되는 경향을 볼 수 있었다. 9. M-알카리도와 총경도를 변화하여 시험을 행한 결과 sericin 용해량이 증대되었다. 10. pH 및 총경도를 고정하고 M-알카리도 만을 변화시킨 경우 M-알카리도가 증가할 수록 sericin 용해도도 증대 되었다. 11. pH 총경도 및 M-알카리도를 고정하고 산도를 변화하여 시험한 결과 sericin 용해가 상당히 억제 되었다. 12. pH(6.8), M-알카리도를 고정하고 총경도만을 변화시킨 경우 sericin의 용해가 상당히 억제 되었다. 13. 각각의 수질 항목별로 sericin 용해에 미치는 작용면을 기본으로 분류하고 다시 "용해력증대" "용해력 보통" "용해력감소"의 구로 복합수질을 조제하여 시험 용해력 증대의 구는 용해력 감소의 구에 비하여 약 2.2%의 sericin 용해가 증대 되었으며 용해력 보통의 구에 있어 sericin 용해량은 2.4~2.9% 정도였다. 14. 4항 및 5항의 시험결과 견층 sericin 변성에 가장 크게 영향을 미치는 제사용수의 성분은 pH, M-알카리도, 산도 및 총경처이므로 앞으로 이상의 4개 항목을 기본으로 한 제사시험을 행하고 이 결과에 따라 최적의 제사용수 수질 조건을 설정코저 한다. 15. 동일 시수를 가지고 견층을 반복처리 하는데 따라 시수내의 완충력이 증가하여 견층 sericin의 용해량은 감소하는 경향이 있었다.견층 sericin의 용해량은 감소하는 경향이 있었다.

• Tribology and Lubricants
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• 제37권6호
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• pp.203-207
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• 2021

This study presents the development of dielectric constant sensors to measure lubricant properties. The lubricant oil sensor is used to measure oil properties and machine conditions. Various condition monitoring methods are applied to diagnose machine conditions. Machine condition monitoring using oil sensors has advantage over other machine condition monitoring methods. The fault conditions can be noticed at the early stages by the detection of wear particles using oil sensors. Therefore, it provides an early warning in the failure procedure. A variety of oil sensors are applied to check the machine condition. Among all oil sensors, only one sensor can measure the tendency of several properties such as acidity and water content. A dielectric constant sensor is also used to measure various oil properties; therefore, it is very useful. The dielectric constant is the ratio of the capacitance of a capacitor using that material as a dielectric to that of a similar capacitor using vacuum as its dielectric. The dielectric constant has an effect on water content, contaminants, base oil, additive, and so forth. In this study, the dielectric constant sensor is fabricated using MEMS process. In the fabrication process, the shape, gap of the electrode array, and thickness of the insulation material are considered to improve the sensitivity of the sensor.

• 대한화학회지
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• 제46권4호
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• pp.323-330
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• 2002

5-치환 2-Furaldehyde류의 양성자화 반응을 25$^{\circ}C$, 황산 수용액 속에서 분광광도법으로 조사하여 각 반응물질의 염기도 상수인 p$K_{BH+}$값을 과산도 (execess acidity)법으로 구하였다. 전자 주게 치환기를 가진 5-methyl-2-Furaldehyde의 염기도 상수는 전자 받게 치환기를 가진 5-nitro-2-Furaldehyde의 염기도 상수보다 크게 나타났으며 pK단위로 3.25정도 차이가 나는 것을 알수 있었다. 각 반응기질의 양성자화 반응으로부터 형성된 짝산의 용매화 정도를 나타내는 m값은 본 반응계와 유사한 반응물질인 acetophenone과 비슷한 크기로 나타남을 알 수 있었다. 2-Furaldehyde의 치환기 변화에 따른 염기고 상수의 변화 값인 -${\Delta}pK_{BH+}$과 m의 상관관계가 좋은 직선성을 보였다

• 한국식품영양학회지
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• 제29권5호
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• pp.801-807
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• 2016

In Western countries, kimchi, the Korean traditional fermented cabbage, is considered to be a healthy. However, it is one of the main sources of the high sodium content of the Korean diet. In order to decrease the sodium content, we manufactured a low-sodium kimchi (LK, salinity 1.0%) and 4 additional low-sodium kimchi starters in which each of 4 lactic acid bacteria (Lb. sakei 1, Lb. sakei 2, Lb. palntarum and W. koreensis) were added. The LKL1 to LKL4 samples were prepared by adding 4 single LAB starters, each with an inoculum size of $10^6CFU/g$, when the cabbage was mixed with kimchi sauce. The kimchi starters were fermented at $10^{\circ}C$ until reaching 0.5% acidity, and then stored at $-1.5^{\circ}C$ until reaching 0.75% acidity. The pH and acidity of the starter kimchi changed more rapidly in the early phase of fermentation (up to 0.75% acidity) than control low-sodium kimchi. After the acidity of the kimchi starters reached 0.75% it remained constant. As the fermentation progressed, the total aerobic and lactic acid bacteria concentrations in the kimchi starter with added Lb. sakei 1 were the same as in the control low-sodium kimchi. The low-sodium kimchi fermentation of the kimchi starter with added Lb. palntarum progressed differently due to a difference in acid resistance. The kimchi starter with added Lb. sakei 2 had an overall liking score that was slightly higher than that of the control low-sodium kimchi due to a lower off-flavor.

• Preventive Nutrition and Food Science
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• 제4권4호
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• pp.246-250
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• 1999

This study was conducted to develop the fermentation kinetic modeling for the prediction of pH and acidity changes in kimchi at isothermal and nonisothermal fermentation temperatures(0~15$^{\circ}C$) and salt concentrations(1.5~4.0%) using the traditional two-step method and alternative one-step method. The calculations of the two-step method of pH and acidity change during fermentation followed the pattern of the first order and zero order, respectively. The reaction rate constant of pH by the first order was increased from 0.008 {TEX}$day^{-1}${/TEX} to 0.017 {TEX}$day^{-1}${/TEX} by increasing the temperature from $0^{\circ}C$ to 15$^{\circ}C$ at 2.75% of salt concentration, and was decreased from 0.013 {TEX}$day^{-1}${/TEX} to 0.010 {TEX}$day^{-1}${/TEX} by increasing the salt concentration from 1.5% to 4.0% at 5$^{\circ}C$. For the pH and acidity of Kimchi, the zero order had a higher correlation than the first order to the estimate of the kinetics parameters by the one-step method. The {TEX}$E_{a}${/TEX} ranges of pH and acidity were 61.057~66.086 and 62.417~68.772 kJ/mole with different temperatures and salt concentrations. This one-step method had smaller and more realistic estimates of error(p〈0.05). The effective temperatures, {TEX}$T_{eff}${/TEX}, with 0~15$^{\circ}C$ of square function type of 12 hr intervals were 12.85, 11.48 and 12.46$^{\circ}C$ as increasing the salt concentration, 1.50, 2.75 and 4.00%, respectively. The {TEX}$T_{eff}${/TEX} were higher values than the mean temperature(7.5$^{\circ}C$).

• Elastomers and Composites
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• 제12권1호
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• pp.27-32
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• 1977

The kinetics of azo-coupling reaction of N-acetyl-H-acid (1-acetamino-8-hydroxynaphthalene-3, 6-disulfonic acid) with several heterocyclic diasonium compounds such as diazotiged 3-aminopyridine, 3-aminoquinoline, 8-aminoauinoline and aniline was studied. It was found that reactions proceeded at remarkably different rate. Reaction rate was in increasing order; 3-aminopyridine, 3-aminoquinoline, 8-aminoauinoline and aniline. And the activation energies were 9.62, 10.10, 10.39, 10.70 Kcal/mole, respectively. Especially, the rate constant of 3-aminopyridine was 100 times larger than that of benzene diasonium compound even in strong acidity. Hammett plot was also made of the rate constants obtained against the heterocyclic substituent constants reported in the literature. A good linear relationship was obtained and the reaction constant of N-acetyl H-acid was calculated to be 3.14.