• Korean Chemical Engineering Research
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• 제58권2호
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• pp.230-234
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• 2020

딥러닝 기법을 활용하여 분자 구조로부터 물성을 예측하는 시스템은 화학, 생물학, 재료 연구에 적용하기 위해 개발되었다. 분자 구조와 물성 정보가 축적된 데이터베이스를 기반으로, 구조와 물성간의 관계식을 찾는 딥러닝 모형을 구축한 후 최종적으로는 새로운 분자 구조에 대한 물성 예측값을 제공할 수 있다. 또한 선정된 분자 구조의 실제 물성값에 대한 실험을 병행하여 지속적인 검증 및 모형 업데이트를 수행하게 된다. 이를 통해 다량의 분자구조로부터 물성이 우수한 분자 구조를 빠른 시간 안에 스크리닝할 수 있으며, 연구의 효율성 및 성공률을 높일 수 있다. 본 논문에서는 딥러닝을 활용한 물성 예측 시스템의 전반적인 구성과 LG화학에서 실제 신규 구조 발굴에 적용된 사례를 중심으로 소개하고자 한다.

• Korean Chemical Engineering Research
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• 제50권4호
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• pp.604-609
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• 2012

기능성화장품 소재로 사용하기 위한 후코이단의 특성 및 후코이단 분자량의 영향에 대해 연구하였다. 후코이단은 미역 포자엽에서 추출하였고 접촉글로우방전 전기분해(CGDE)방법에 의해 후코이단 분자량(35~160 kDa)을 조절하였다. 후코이단의 tyrosinase inhibition, 보습력, elastase 활성저해 효과와 항산화력(DPPH assay, radical scavenging)을 측정하여 화장품으로서 가능성을 확인하였다. 후코이단의 보습력은 최고의 보습제 중의 하나인 히아루론산의 보습력보다 높았고, 분자량이 감소함에 따라 보습력이 약간 증가하였다. 주름개선 효과실험인 elastase 활성저해 효과 실험결과 표준 비교물질인 adenosine 보다 높은 elastase 활성저해 효과를 보였다. 최고의 tyrosinase 저해효과, elastase 활성저해 효과, 항산화력(DPPH assay, radical scavenging)을 갖는 후코이단의 분자량은 100 kDa이었다.

• KSBB Journal
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• 제31권4호
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• pp.291-299
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• 2016

In this study, Indomethacin, the poorly water soluble drug, was selected and prepared dispersing oral disintegrating films according to the molecular weight of polyethylene glycol (PEG) which are sort of dispersing agents. Also the molecular weight and content of PEG were evaluated effect on the degree of dispersion, physical property and dissolution when making oral dispersing film containing indomethacin to find appropriate condition and suggested guidelines of making oral dispersing film. The appropriate dispersing ratio of the amount of surfactants and dispersing agent were 1% and 4%, also the stability dropped in the PEG molecular weight of 4000 or more. Drying time of oral dispersing film was $90^{\circ}C$ for 10 minutes to 12 minutes that dispersing film's property about flexibility, detachability were very good. The oral dispersion film's content used PEG 400 was $98.6{\pm}0.5%$ and the most uniform. As the molecular weight of PEG increased, dissolution time also increased. On the basis of evaluation parameter, PEG with 400~600 of molecular weight was selected as good dispersing agent in oral dispersing film. Therefore, it can be suggested guideline of preparation application study in oral dispersing film.

• Tribology and Lubricants
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• 제17권5호
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• pp.386-390
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• 2001

Monolayers such as self-assembled monolayer (SAM) have received considerable attention to reduce stiction and friction in micro-devices and microelectromechanical systems (MEMS). Various organic molecular films were investigated to obtain better understanding of their tribological behaviors and adhesion property. The organic molecular films studied in this work are: epoxysilane SAMs, octadecyltricholosilane (OST), multi-layers composed of epoxysilane SAMs, poly[styrene-b-(ethylene-co-butylene)-b-styrene](SEBS) and compound of epoxy resin and poly (paraphenylene)(EP/PPP). The pull-off forces of these films were also obtained from force-distance curves measured in static mode of operation of atomic force microscope(AFM). Tribological tests were conducted with a ball-on-flat reciprocating friction tester. The OST showed the lowest pull-off force, indicating its low adhesion property. It was revealed that, the OST, EP/PPP and the multi-layer of epoxysilane SAMs, SEBS and EP/PPP exhibited good tribological properties at the lower load (0.3 N) whereas the OST showed best performance at the higher load (1.8 N).

• Bulletin of the Korean Chemical Society
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• 제25권2호
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• pp.182-184
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• 2004

Fine $La_{2/3}Ca_{1/3}MnO_3$ nanocrystalline powders have been successfully prepared by modified citrate pyrolysis process. The obtained LCMO nanoscale grains have a mean particle size of about 30 nm under optimal treatment conditions. The particle size can be controlled by adjusting processing parameters, such as treatment temperature and calcination time. X-ray diffraction, SEM and magnetoresistance effect were employed to study the crystal structure, morphology and magnetic property of these nanosized powders. A novel MR effect (MR > 45% (0 K < T < 340 K)) at room temperature has been found.

• 환경위생공학
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• 제20권2호
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• pp.33-38
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• 2005

Chitosan is a dietary fiber because of a linear polysaccharide composed of $\beta-(1{\rightarrow}4)$-linked 2-amino-2-deoxy-D-glucopyranose. In this study, control release system of vitamin C has been estimated in chitosan molecular network as a vitamin C carrier of controlled release. The amount of released vitamin C were decreased in higher amount of chitosan concentration. Especially, vitamin C were slowly released from chitosan solution in dialysis membrane when compared with vitamin C solution alone in dialysis membrane. These result assumed that chitosan driving force is dependent on chitosan molecular weight and cationic property of amino group with anionic property of vitamin C.

• 한국응용과학기술학회지
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• 제22권1호
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• pp.77-83
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• 2005

The influence of fluorescence, scattering, and absorbance in turbid material by light scattering was interpreted by the scattered fluorescence intensity and wavelength. The effect of optical property in scattering media was investigated. It is very important to study the charge coupled device(CCD) in spectrometry because we can use the molecular energy level, molecular structure, absorption or emission, intermolecular reaction, weakly bound molecular energy, photochemistry, fluorescence and photodynamic therapy. CCD is very essential to study the molecular structure and medical engineering combined laser spectroscopy in the modem physical and chemistry. Accordingly, this study has designed and manufactured the electromagnetic spectrometry with CCD, and has analyzed the hematoporphyrin derivative.

• 한국윤활학회:학술대회논문집
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• 한국윤활학회 2001년도 제33회 춘계학술대회 개최
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• pp.49-54
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• 2001

Monolayers such as self-assembled monolayer (SAM) have received considerable attention to reduce stiction and friction in micro-devices and microelectromechanical systems (MEMS). Various organic molecular films were investigated to obtain better understanding of their tribological behaviors and adhesion property. The organic molecular films studied in this work are: epoxysilane SAMs, octadecyltricholosilane (OST), multi-layers composed of epoxysilane SAMs, poly〔styrene-b-(ethylene-co-butylene)-b-styrene〕(SEBS) and compound of epoxy resin and poly (paraphenylene) (EP/PPP). The pull-off forces of these films were also obtained from force-distance curves measured in static mode of operation of atomic force microscope (AFM). Tribological tests were conducted with a ball-on-flat reciprocating friction tester. The OST showed the lowest pull-off force, indicating its low adhesion property. It was revealed that, the OST, EP/PPP and the multi-layer of epoxysilane SAMs, SEBS and EP/PPP exhibited good tribological properties at the lower load (0.3 N) whereas the OST showed best performance at the higher load (1.8 N).

• Bulletin of the Korean Chemical Society
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• 제34권1호
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• pp.283-286
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• 2013

• 콘크리트학회지
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• 제3권1호
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• pp.71-78
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• 1991

3종류의 AC-20 아스팔트 시멘트의 분자입자분포를 고압-겔투수 크로마토그래프(HP-GPC)를 이용하여 관찰하였다. 건조상태의 습윤상태의 인장강도와 뤠질리언계수 측정을 위하여 한종류의 골재와 아스팔트 시멘크를 사용하여 실험실에서 역청콘크리트 공시체를 제조하였다. 이들의 역학적 성질시험결과와 아스팔트 시멘트 크로마토그램의 형태를 분석하여 상호간의 관계를 조사하였다. 희귀분석 결과는 역학적 성질과 크로마토그램의 분할면적비율간에 강한 상관관계가 있음을 보여주었다. 이 희귀분석 결과로부터 수학적 추정모델이 얻어졌다. 연구결과 아스팔트 크로마토그램의 특성이 정해진 아스팔트콘크리트의 역학적 성질추정이 잘 사용될 수 있음을 보여주었다.