• Bulletin of the Korean Chemical Society
• /
• v.19 no.7
• /
• pp.743-746
• /
• 1998

The Belousov-Zhabotinskii (BZ) reaction, which is composed of a bromate-organic acid-metal catalyst and an acidic solution is a commonly employed chemical oscillating reaction system. Cyclohexanedione (CHD) has been used as an initial organic substrate in oscillation systems. We studied each system of 1,4-CHD/BrO3-/Ce4/H+ and 1,3-CHD/BrO3-/Ce4+/H+ oscillating reactions, and studied the control of oscillating characters in a CHD/BrO3-/Ce4+/H+ batch system using a mixed substrate of 1,4-CHD and 1,3-CHD under a fixed total CHD concentration. In the mixed reactions, 1,4-CHD was used as a main substrate and small amounts of 1,3-CHD were used in order to vary the oscillatory behaviours by changing the mixing amount ratio of two substrates.

• Bulletin of the Korean Chemical Society
• /
• v.4 no.5
• /
• pp.208-211
• /
• 1983

Kinetic studies of nucleophilic substitution reactions of para-substituted benzylchlorides with anilines were conducted in a range of MeOH-MeCN mixtures at $55.1^{\circ}C$. Hammett ${\rho}_C$, ${\rho}_N$ values and Bronsted ${\beta}$ values were determined, in other to examine the transition state variations caused by changes in nucleophiles, substituents and solvents properties (${\pi}^{\ast}$ and ${\alpha}$). Applications of potential energy surface (PES) and quantum mechanical (QM) models of transitheion state characterization lead us to conclude that the reaction proceeds via the dissociative $S_N2$ mechanism.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.08a
• /
• pp.68-69
• /
• 2011

The process of charge transfer at the interface between two semiconductors or between a metal and a semiconductor plays an important role in many areas of technology. The optimization of such devices requires a good theoretical description of the interfaces involved. This, in turn, has motivated detailed mechanistic studies of interfacial charge-transfer reactions at metal/organic, organic/organic, and organic/inorganic semiconductor heterojunctions. Charge recombination of photo-induced electron with redox species such as oxidized dyes or triiodide or cationic HTM (hole transporting materials) at the heterogeneous interface of $TiO_2$ is one of main loss factors in liquid junction DSSCs or solid-state DSSCs, respectively. Among the attempts to prevent recombination reactions such as insulating thin layer and lithium ions-doped hole transport materials and introduction of co-adsorbents, although co-adsorbents retard the recombination reactions as hydrophobic energy barriers, little attention has been focused on the anchoring processes. Molecular engineering of heterogeneous interfaces by employing several co-adsorbents with different properties altered the surface properties of $TiO_2$ electrodes, resulting to the improved power conversion efficiency and long-term stability of the DSSCs. In this talk, advantages of the coadsorbent-assisted sensitization of N719 in preparation of DSSCs will be discussed.

• Journal of the Korean Society for Aeronautical & Space Sciences
• /
• v.44 no.4
• /
• pp.333-342
• /
• 2016

Liquid rocket propulsion is a system that produces required thrust for satellites and space launch vehicles by using chemical reactions of a liquid fuel and a liquid oxidizer. Monomethylhydrazine/dinitrogen tetroxide, liquid hydrogen/liquid oxygen and RP-1/liquid oxygen are typical combinations of liquid propellants commonly used for the liquid rocket propulsion system. The objective of the present study is to investigate useful design and performance data of liquid rocket engine by conducting a numerical analysis of thermochemical reactions of liquid rocket propellants. For this, final products and chemical compositions of three liquid propellant combinations are calculated using equilibrium constants of major elementary equilibrium reactions when reactants remain in chemical equilibrium state after combustion process. In addition, flame temperature and specific impulse are estimated.

• ETRI Journal
• /
• v.46 no.2
• /
• pp.290-306
• /
• 2024

To treat the novel COronaVIrus Disease (COVID), comparatively fewer medicines have been approved. Due to the global pandemic status of COVID, several medicines are being developed to treat patients. The modern COVID medicines development process has various challenges, including predicting and detecting hazardous COVID medicine responses. Moreover, correctly predicting harmful COVID medicine reactions is essential for health safety. Significant developments in computational models in medicine development can make it possible to identify adverse COVID medicine reactions. Since the beginning of the COVID pandemic, there has been significant demand for developing COVID medicines. Therefore, this paper presents the transferlearning methodology and a multilabel convolutional neural network for COVID (MLCNN-COV) medicines development model to identify negative responses of COVID medicines. For analysis, a framework is proposed with five multilabel transfer-learning models, namely, MobileNetv2, ResNet50, VGG19, DenseNet201, and Inceptionv3, and an MLCNN-COV model is designed with an image augmentation (IA) technique and validated through experiments on the image of three-dimensional chemical conformer of 17 number of COVID medicines. The RGB color channel is utilized to represent the feature of the image, and image features are extracted by employing the Convolution2D and MaxPooling2D layer. The findings of the current MLCNN-COV are promising, and it can identify individual adverse reactions of medicines, with the accuracy ranging from 88.24% to 100%, which outperformed the transfer-learning model's performance. It shows that three-dimensional conformers adequately identify negative COVID medicine responses.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.11
• /
• pp.4133-4136
• /
• 2011

• Journal of the Korean Chemical Society
• /
• v.35 no.3
• /
• pp.292-295
• /
• 1991

• Bulletin of the Korean Chemical Society
• /
• v.34 no.8
• /
• pp.2431-2435
• /
• 2013

A simple and efficient method for the synthesis of spiro[4H-pyran-oxindole] derivatives by means of three-component reactions between isatins, malononitrile or ethyl cyano-acetate, and 1,3-dicarbonyl compounds in the presence of catalytic amount of magnesium perchlorate in 50% aqueous ethanol medium has been described.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.11
• /
• pp.1632-1636
• /
• 2003

Palladium-catalyzed cross-coupling reactions of neopentyloxysulfonylphenyl bromides with arylboronic acids provided a variety of neopentyl biphenylsulfonates in good yields. 2-Bromo- and 4-bromobenzenesulfonates underwent the coupling reaction more rapidly than 3-bromobenzenesulfonate, while chlorobenzenesulfonate did not produce the coupling product under the standard reaction conditions.

• Journal of the Korean Chemical Society
• /
• v.60 no.5
• /
• pp.327-341
• /
• 2016

This study explores the effective visual resources in the “regularity in chemical reactions” unit of ninth grade science textbooks (2009 revised version). The frequency and role of visual resources were initially examined, and the students’ perceptions of visual resources were investigated. The results of the analysis represented the learning material presentation (68%), motivational categories (14%), guide to inquiry procedures (9%), and inquiry results and summaries (8%). According to the investigation of the students’ perceptions of visual resources, the most effective visual resource for motivation is a photograph depicting physical and chemical changes, such as in bread baking and the most effective for learning material presentations in mass conservation, definite proportion, and stoichiometric concept units were a cartoon, graph, and formula representing stoichiometric phenomena, respectively. The most effective resource for guide to inquiry (experimental) procedures were photographs of both instruments and sequential experiment processes; and in the inquiry results and summary category, incomplete tables and graphs for students to work on themselves. The aims of this research are to increase the usefulness of visual resources in the teaching-learning activity and provide informative supplements for the development and improvement of visual resources, according to the students’ perceptions.