• Applied Chemistry for Engineering
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• v.16 no.6
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• pp.778-784
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• 2005

It has been found that the addition of cosurfactant is necessary in order to expand three phase region containing middle phase microemulsion in ternary systems containing alkyl ethoxylate (AEO) nonionic surfactant, commercial lubricant and water. Phase behavior in the surfactant systems with addition of cosurfactant over a temperature range of 30 to $60^{\circ}C$ showed different trends depending on surfactant, temperature and chain length of alcohol added. For the $C_{12}E_4$ system, addition of n-pentanol and n-hexanol both produced a three phase region over a wide range of temperatures but the middle-phase formed was found to be a $L_3$ or D' phase which would not facilitate solubilization of high molecular weight lubricants. On the other hand, for the $C_{12}E_5$ system, the middle-phase microemulsion was found to be formed with addition of a rather long-chain alcohol such as n-hexanol, n-heptanol, n-octanol, or n-nonanol. The results shown with the addition of cosurfactant was understood in connection with interfacial tension measurements and composition analysis. The inability of the hydrocarbon region of the surfactant films to incorporate the large lubricant molecules and high solubility of a hydrophobic surfactant are thought to be the chief reasons for poor solubilization with D' phase.

• Korean Journal of Food Science and Technology
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• v.34 no.4
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• pp.625-630
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• 2002

Raw pine-mushrooms (Tricholoma matsutake Sing.) of four grades and those frozen were analyzed for proximate composition, smell pattern, volatile flavor compounds, and sensory evaluation. Proximate compositions of raw pine-mushrooms (A-C, regular grade) were $89.48{\sim}90.77%$ moisture, 6.81% ash excluding D (below regular grade) sample, $2.24{\sim}2.52%$ crude lipid, and $16.19{\sim}20.01%$ crude protein. Proximate compositions of frozen pine-mushrooms preserved for 6 months at -20 and $-70^{\circ}C$ showed no difference compared with raw pine-mushrooms. Results of smell pattern and multidimensional analysis revealed raw pine-mushrooms showed no differences among samples, but frozen pine-mushrooms differed significantly depending on the grade. Volatile flavor compounds of pine-mushrooms were analyzed using a purge and trap method with GC/MSD. Twenty-nine volatile compounds were identified, among which alcohols such as 1-octen-3-ol, 2-octen-1-ol, 3-methyl-butanol, and n-octanol were commonly found in all pine-mushroom samples. In sensory attributes, raw pine-mushrooms were not significantly different at 5% level, and sample D of frozen pine-mushrooms scored lower than samples $A{\sim}C$.

• Journal of Applied Biological Chemistry
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• v.62 no.1
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• pp.11-17
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• 2019

Strawberries are one of the main commodities in Korea and have been exported over 40 million dollar. Because the strawberry cultivation using hydroponics has increased, treatment of pesticide by drenching draw interest recently. However, detailed researches for drenching treatment of pesticide are limited, which results in difficulties in proper pesticide applications in agricultural fields. To activate use of drenching and improve safety in agricultural products, In this study, time-dependent residual characteristic of pesticides were compared with between different applications of pesticides in strawberries. The characteristics of azoxystrobin, prochloraz and thiamethoxam were investigated with drenching treatment at different applications: the time of treatment, concentration etc. at hydroponic cultivation for 40 days. Azoxystrobin and prochloraz were not detected at 14 day after application. Thiamethoxam was detected from 0.02 to 0.85 mg/kg. Crop uptake of pesticides was strongly affected with octanol-water partition coefficient and solubility in water. Residual amount in crops are highly dependent on the concentration of active ingredient of pesticides.

• Food Science and Preservation
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• v.30 no.3
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• pp.492-501
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• 2023

In this study, we wanted to understand the impact of different decaffeination processes on aroma compounds of coffee. Therefore, we analyzed differences in physical characteristics and volatile aroma compounds profiles of regular coffee (RC), Swiss water process decaffeinated coffee (SWDC), and supercritical CO₂ decaffeinated coffee (SCDC) after roasting the coffee beans. The electronic nose analysis identified RC and SCDC as different groups which indicates that these groups volatile aroma compound compositions were different. The principal component analysis of volatile compound patterns identified using an electronic nose indicated that there was a large difference in volatile compounds between RC, which was not decaffeinated, and both decaffeinated SWDC and SCDC. The major aroma compounds of RC, SWDC and SCDC were propan-2-one and hexan-2-one which are ketone, and hexanal and (E)-2-pentenal which are aldehyde and 3-methyl-1-butanol which is an alcohol. After roasting, the composition of major volatile compounds appearing in the beans was similar, but the relative odor intensity was different. We identified 28 volatile aroma compounds from RC, SWDC, and SCDC using headspace-solid phase microextraction-gas chromatography/mass spectrometry (HS-SPME-GC/MS), and analyzed 10 major compounds that were present in high abundance, including furfural, 2-furanmethanol, 2,5-dimethylpyrazine, and 2-ethyl-3-methylpyrazine.

• Journal of Korean Society of Environmental Engineers
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• v.31 no.11
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• pp.947-956
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• 2009

Residual petroleum hydrocarbons after an oil spill may accumulate in the marine benthic ecosystem due to their high hydrophobicity. A lot of monitoring data are required for the estimation of ecosystem exposure to residual petrochemicals in an ecological risk assessment in the affected region. To save time and cost, the environmental exposure to them in the affected ecosystem can also be assessed using a simple food-web bioaccumulation model. In this study, we evaluated residual concentrations of four selected polycyclic aromatic hydrocarbons (phenanthrene, anthracene, pyrene, and benzo[a]pyrene) in a hypothetic benthic ecosystem composed of six species under two exposure scenarios. Body-residue concentration ranged 5~250 mg/kg body depending on trophic positions in an extreme scenario in which the aqueous concentrations of PAHs were assumed to be one-tenth of their aqueous solubility. In addition, bioconcentration factors (BCFs) and bioaccumulation factors (BAFs) were evaluated for model species. The logarithm of bioconcentration factor (log BCF) linearly increased with increasing the logarithm of 1-octanol-water partition coefficient (log $K_{OW}$) until log $K_{OW}$ of 7.0, followed by a gradual decrease with further increase in log $K_{OW}$ without metabolic degradation. Biomagnification became significant when log $K_{OW}$ of a pollutant exceeded 5.0 in the model ecosystem, indicating that investigation of food-web structure should be critical to predict biomagnifications in the affected ecosystem because log $K_{OW}$ values of many petrochemicals are higher than 5.0. Although further research is required for better site-specific evaluation of exposure, the model simulation can be used to estimate the level of the ecosystem exposure to residual oil contaminants at the screening level.

• KOREAN JOURNAL OF CROP SCIENCE
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• v.61 no.4
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• pp.242-250
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• 2016

Although rice has been cultivated as a major food crop for approximately 5,000 years, the interest of customers in 'scented rice' is a recent trend in the Korean market. As a part of developing a germinated scented rice variety, the newly bred scented rice variety 'Cheonjihyang-1 se' was germinated for 24 h, and changes in profiles of flavor-related volatiles, lipophilic phytonutrients, and fatty acids were investigated. The profiling of volatile compounds by using a headspace-gas chromatography-mass spectrometry (HS-GC-MS) revealed a total of 56 odor-active flavoring compounds; 52 at the pre-germination stage, 51 at the post-germination stage, and 47 common at both stages. The major flavoring compounds were nonanol and benzene, which constituted 11.5% and 6.6%, respectively, of the total peak area in pre-germinated rice, and 19.4% and 6.5%, respectively, in post-germinated rice. Germination induced an increase in 13 flavoring compounds, including 3,3,5-trimethylheptane and 1-pentadecene, which increased by 763 and 513%, respectively by germination. However, we observed a germination-induced decrease in most of the other flavoring compounds. Especially, the most important scented rice-specific popcorn-flavoring compound, 2-acetyl-1-pyrroline, showed 89% decrease due to germination. Furthermore, the germination of scented rice induced a decrease in the content of various phytonutrients. For example, the total contents of phytosterols, squalene, and tocols decreased from 207.97, 31.74, and $25.32{\mu}g\;g^{-1}$ at pre-germination stage down to 136.66, 25.12, and $17.76{\mu}g\;g^{-1}$, respectively at post-germination stage. The fatty acid compositions were also affected by germination. The composition of three major fatty acids, linoleic, oleic, and palmitic acids, increased from 36.6, 34.2, and 24.4%, respectively, at the pre-germination stage to 37.9, 36.9, and 20.7%, respectively, at the post-germination stage. All these results suggested significant changes in the flavor-related compounds and phytonutrients of the scented rice variety 'Cheonjihyang-1 se' during the process of germination, and subsequently the need for developing a more precise process of germination to enhance the flavor and nutritional quality of the germinated scented rice products.

• Korean Journal of Food Science and Technology
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• v.45 no.3
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• pp.285-292
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• 2013

This study was carried out to validate the safety of ametoctradin residues in agricultural commodities by developing an official analysis method. An analytical method was developed and validated using HPLC-PDA detectors. The samples were extracted with methanol, subsequently partitioned with dichloromethane and purified with florisil column chromatograph using acetone/hexane (30/70, v/v) as solvent. The method was validated by using grape, hulled rice, mandarin, and potato spiked with ametoctradin at 0.05 and 5.0 mg/kg, and pepper at 0.05 and 2.0 mg/kg. Average recoveries were 76-114.8% with relative standard deviation less than 10%, and the limit of detection and limit of quantification were 0.0125 and 0.05 mg/kg, respectively. The result of recoveries and overall coefficient of variation of the laboratory results from Gwangju regional Food and Drug Administration (FDA) and Daejeon regional FDA was accorded with Codex Alimentarius Commission Guideline (CAC/GL 40). Based on these results, this method was found to be appropriate for ametoctradin residue determination and can be used as the official method of analysis.

• Korean Chemical Engineering Research
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• v.61 no.4
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• pp.523-541
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• 2023

As accessibility to 3D printers increases, there is a growing frequency of exposure to chemicals associated with 3D printing. However, research on the toxicity and harmfulness of chemicals generated by 3D printing is insufficient, and the performance of toxicity prediction using in silico techniques is limited due to missing molecular structure data. In this study, quantitative structure-activity relationship (QSAR) model based on data-centric AI approach was developed to predict the toxicity of new 3D printing materials by imputing missing values in molecular descriptors. First, MissForest algorithm was utilized to impute missing values in molecular descriptors of hazardous 3D printing materials. Then, based on four different machine learning models (decision tree, random forest, XGBoost, SVM), a machine learning (ML)-based QSAR model was developed to predict the bioconcentration factor (Log BCF), octanol-air partition coefficient (Log Koa), and partition coefficient (Log P). Furthermore, the reliability of the data-centric QSAR model was validated through the Tree-SHAP (SHapley Additive exPlanations) method, which is one of explainable artificial intelligence (XAI) techniques. The proposed imputation method based on the MissForest enlarged approximately 2.5 times more molecular structure data compared to the existing data. Based on the imputed dataset of molecular descriptor, the developed data-centric QSAR model achieved approximately 73%, 76% and 92% of prediction performance for Log BCF, Log Koa, and Log P, respectively. Lastly, Tree-SHAP analysis demonstrated that the data-centric-based QSAR model achieved high prediction performance for toxicity information by identifying key molecular descriptors highly correlated with toxicity indices. Therefore, the proposed QSAR model based on the data-centric XAI approach can be extended to predict the toxicity of potential pollutants in emerging printing chemicals, chemical process, semiconductor or display process.