• Bulletin of the Korean Chemical Society
• /
• v.30 no.1
• /
• pp.261-263
• /
• 2009

• 제어로봇시스템학회:학술대회논문집
• /
• 1992.10b
• /
• pp.430-435
• /
• 1992

Hazard identification is one of the most important task in process design and operation. This work has focused on the development of a knowledge-based expert system for HAZOP (Hazard and Operability) studies which are regarded as one of the most systematic and logical qualitative hazard identification methodologies but which require a multidisciplinary team and demand much time-consuming, repetitious work. The developed system enables design engineers to implement existing checklists and past experiences for safe design. It will increase efficiency of hazard identification and be suitable for educational purposes. This system has a frame-based knowledge structure for equipment failures/process material properties and rule networks for consequence reasoning which uses both forward and backward chaining. To include wide process knowledge, it is open-ended and modular for future expansion. An application to LPG storage and fractionation system shows the efficiency and reliability of the developed system.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.12
• /
• pp.2531-2532
• /
• 2008

• 제어로봇시스템학회:학술대회논문집
• /
• 1998.10a
• /
• pp.501-506
• /
• 1998

A mathematical model is developed to describe the relationship between the manipulated variables (e.g. jacket inlet temperature and feed flow rate) and the important qualities (e.g conversion and weight average molecular weight (Mw)) in a continuous polymerization reactor. The subspace-based identification method for Wiener model is used to retrieve from the discrete sample data the accurate information about both the structure and initial parameter estimates for iterative parameter optimization methods. The comparison of the output of the identified Wiener model with the outputs of a non-linear plant model shows a fairly satisfactory degree of accordance.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.12
• /
• pp.3785-3787
• /
• 2010

• Bulletin of the Korean Chemical Society
• /
• v.13 no.2
• /
• pp.148-155
• /
• 1992

Computerized interpretation of vapor phase infrared spectra using a novel expert system approach for spectra/structure correlation for vapor phase spectra is introduced. Rapid identification of aromatic functional groups of components in gaseous mixture can be achieved using this expert system.

• Bulletin of the Korean Chemical Society
• /
• v.35 no.7
• /
• pp.1929-1930
• /
• 2014

• Mass Spectrometry Letters
• /
• v.8 no.4
• /
• pp.90-97
• /
• 2017

Androgenic anabolic steroids (AASs) are synthetic derivatives of testosterone with a common structure containing cyclopentanoperhydrophenanthrene nucleus. Their use enhances the muscle building capacity and is beneficial during performance. The AASs are one of the most abused group of substances in horse doping. Liquid chromatography tandem mass spectrometry ($LC/MS^n$) has been successfully applied to the detection of anabolic steroids in biological samples. However, the saturated hydroxysteroids viz: nandrolone, $5{\alpha}-estrane-3{\beta}$, $17{\alpha}-diol$ exhibit lower detection responses in electrospray ionisation (ESI) because of their poor ionisation efficiency. To overcome this limitation pre-column chemical derivatization has been introduced to enhance their detection responses in $LC-ESI-MS^n$ analysis. The aim of present study was to develop a sensitive method for identification and confirmation of nandrolone and its metabolite in horse urine incorporating pre-column derivatization using picolinic acid. The method consists of extraction of targeted steroid conjugates by solid phase extraction (SPE). The eluted steroid conjugates were hydrolysed by methanolysis and free steroids were recovered with liquid-liquid extraction. The resulting steroids were derivatized to form picolinoyl esters and identification was done using LC-ESI-MS/MS in positive ionization mode. The picolinated steroid adduct enhanced the detection levels in comparison to underivatized steroids.

• Proceedings of the PSK Conference
• /
• 2003.04a
• /
• pp.254.2-254.2
• /
• 2003

For many viruses, -1 ribosomal frameshifting regulate protein synthesis using an RNA pseudoknot. The integrity of pseudoknot stability and structure is the important feature for efficient frameshifting. Thus, small molecules interacting with viral RNA pseudoknots would be potential antiviral agents targeting\ulcorner frameshifting system in viruses. X-ray structure of RNA pseudoknot complexed with biotin has been reported, in which biotin is bound at the interface between the pseudoknot's stacked helices. (omitted)

• Bulletin of the Korean Chemical Society
• /
• v.32 no.1
• /
• pp.109-112
• /
• 2011

A new derivative of tacrolimus was evaluated for its molecular weight, using LC-MS of the tacrolimus bulk active pharmaceutical ingredient (API) recovered through the purification of crude tacrolimus produced by Streptomyces clavuligerus CKD-1119. In addition, the molecular weight of the new derivative of tacrolimus was found to be at m/z 818 and was identified by $^{13}C$-NMR with peak assignments based on the differences in methyl group location resulting from the chemical structure. The structure of the new derivative, an unknown impurity of tacrolimus, was found to be 18-methyltacrolimus through comparison of the spectral data of the structural differences between ascomycin, tacrolimus, and the new derivative 18-methyltacrolimus.