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Seongnam, South Korea

Park Y.,Catholic University of Korea | Kim S.,Catholic University of Korea | Lee J.-H.,Chungbuk National University | Jung D.H.,Insilicotech Co. | And 2 more authors.
Organic Electronics: physics, materials, applications | Year: 2010

A promising class of blue-violet emitters based on a new functional core, the indenopyrazine group, has successfully been synthesized for the first time by substitution with bulky m-terphenyl side groups in the ortho, meta, or para positions. There are larger blue shifts in the UV-visible absorption and PL spectra of the synthesized ortho- and para-substituted derivatives than in those of the meta-substituted derivative. Molecular calculations verified that these differences are due to the variation in the π-conjugation length of the derivatives with the position at which the side group is attached to the indenopyrazine core. When the synthesized compounds were used as emitting layers in non-doped OLED devices, a related trend was observed in their optical properties. In particular, the OLED containing the para-substituted derivative was found to exhibit excellent characteristics, with maximum EL emission at 423 nm, a full width at half maximum of 42 nm, pure violet emission with CIE coordinates (0.173, 0.063), and an external quantum efficiency of 1.88%. © 2010 Elsevier B.V. All rights reserved. Source

Han S.S.,Korea Research Institute of Standards and Science | Choi S.-H.,Insilicotech Co. | Van Duin A.C.T.,Pennsylvania State University
Chemical Communications | Year: 2010

We introduce the reactive force field (ReaxFF) simulation to predict the hydrolysis reactions and water stability of metal-organic frameworks (MOFs) where the simulation showed that MOF-74 has superior water-resistance compared with isoreticular IRMOF-1 and IRMOF-10. © 2010 The Royal Society of Chemistry. Source

Kim D.,Insilicotech Co. | Kim D.,Korea University | Jung D.H.,Insilicotech Co. | Kim K.-H.,Insilicotech Co. | And 4 more authors.
Journal of Physical Chemistry C | Year: 2012

On the basis of our modeling of pillared covalent organic frameworks (PCOFs) with pyridine molecules inserted between the COF-1 layers, we propose that the surface area and free volume of storage materials should be balanced to increase the gravimetric and volumetric hydrogen uptake capacities. Density functional theory and grand canonical Monte Carlo simulations show that these PCOFs have significantly improved gravimetric and volumetric hydrogen storage capacities of 8.8-10.0 wt % and 58.7-61.7 g L -1, respectively. © 2011 American Chemical Society. Source

Lee W.,Seoul National University | Yuk S.B.,Seoul National University | Choi J.,Seoul National University | Jung D.H.,Insilicotech Co. | And 3 more authors.
Dyes and Pigments | Year: 2012

For the liquid crystal display (LCD) black matrix (BM) with a low dielectric constant and high light absorption property, it is advantageous to employ dyes instead of carbon black or pigments. For this purpose, the dyes should have high solubility in industrial organic solvents. For improved solubility in industrial solvents, three metal-free phthalocyanines (PC), peripherally substituted with bulky groups, were synthesized and dye-based BMs were fabricated. The solubility as well as the spectral and thermal properties of the dyes were examined, and the optical, thermal and dielectric properties of a dye-based black matrix were tested. The greenish phthalocyanine dyes with high molar extinction coefficients and high thermal stability showed enhanced solubility in industrial solvents as a result of the greater steric hindrance among the dye molecules and higher affinity between the dye molecules and solvents. The dye-based BMs had low dielectric constants and exhibited superior optical properties and satisfactory thermal stability. © 2011 Elsevier Ltd. All rights reserved. Source

Jung E.,Insilicotech Co.
Journal of computer-aided molecular design | Year: 2012

Using phage display technique, we identified tissue-targeting peptide sets that recognize specific tissues (bone-marrow dendritic cell, kidney, liver, lung, spleen and visceral adipose tissue). In order to rapidly evaluate tissue-specific targeting peptides, we performed machine learning studies for predicting the tissue-specific targeting activity of peptides on the basis of peptide sequence information using four machine learning models and isolated the groups of peptides capable of mediating selective targeting to specific tissues. As a representative liver-specific targeting sequence, the peptide "DKNLQLH" was selected by the sequence similarity analysis. This peptide has a high degree of homology with protein ligands which can interact with corresponding membrane counterparts. We anticipate that our models will be applicable to the prediction of tissue-specific targeting peptides which can recognize the endothelial markers of target tissues. Source

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