• Title/Summary/Keyword: Molecular Spectroscopy

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Sequential Formation of Multiple Gap States by Interfacial Reaction between Alq3 and Alkaline-earth Metal

  • Kim, Tae Gun;Kim, Jeong Won
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.129.2-129.2
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    • 2013
  • Electron injection enhancement at OLED (organic light-emitting diodes) cathode side has mostly been achieved by insertion of a low work function layer between metal electrode and emissive layer. We investigated the interfacial chemical reactions and electronic structures of alkaline-earth metal (Ca, Ba)/Alq3 [tris(8-hydroxyquinolinato)aluminium] and Ca/BaF2/Alq3 using in-situ X-ray & ultraviolet photoelectron spectroscopy. The alkaline-earth metal deposited on Alq3 generates two energetically separated gap states in sequential manner. This phenomenon is explained by step-by-step charge transfer from alkali-earth metal to the lowest unoccupied molecular orbital (LUMO) states of Alq3, forming new occupied states below Fermi level. The BaF2 interlayer initially prevents from direct contact between Alq3 and reactive Ca metal, but it is dissociated into Ba and CaF2. However, as the Ca thickness increases, the Ca penetrates the interlayer to directly participate in the reaction with underlying Alq3. The influence of the multiple gap state formation by the interfacial chemical reaction on the OLED performance will be discussed.

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Photoluminescence Characteristics of InAs Quantum Dots Grown on AlAs Epitaxial Layer (AlAs 에피층 위에 성장된 InAs 양자점의 Photoluminescence 특성연구)

  • Kim, Ki-Hong;Sim, Jun-Hyoung;Bae, In-Ho
    • Korean Journal of Materials Research
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    • v.19 no.7
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    • pp.356-361
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    • 2009
  • The optical characterization of self-assembled InAs/AlAs Quantum Dots(QD) grown by MBE(Molecular Beam Epitaxy) was investigated by using Photoluminescence(PL) spectroscopy. The influence of thin AlAs barrier on QDs were carried out by utilizing a pumping beam that has lower energy than that of the AlAs barrier. This provides the evidence for the tunneling of carriers from the GaAs layer, which results in a strong QD intensity compared to the GaAs at the 16 K PL spectrum. The presence of two QDs signals were found to be associated with the ground-states transitions from QDs with a bimodal size distribution made by the excitation power-dependent PL. From the temperature-dependent PL, the rapid red shift of the peak emission that was related to the QD2 from the increasing temperature was attributed to the coherence between the QDs of bimodal size distribution. A red shift of the PL peak of QDs emission and the reduction of the FWHM(Full Width at Half Maximum) were observed when the annealing temperatures ranged from 500 $^{\circ}C$ to 750 $^{\circ}C$, which indicates that the interdiffusion between the dots and the capping layer was caused by an improvement in the uniformity size of the QDs.

NMR Studies of Ni-binding Luteinizing Hormone Releasing Hormone

  • Kim, Jin;Won, Ho-Shik
    • Journal of the Korean Magnetic Resonance Society
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    • v.13 no.2
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    • pp.143-153
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    • 2009
  • Luteinizing Hormone Releasing Hormone (LHRH) is composed of 10 amino acids, and is best known as a neurotransmitter. Because of the 80% homology in animals, much more concerns have focused on the substances that have similar functions or can control LHRH. Ni, Cu-LHRH complexes were synthesized. The degree of complexation was monitored by $^1H,\;^{13}C$-NMR chemical shifts, and final products were identified by ESI-Mass spectrum. Solution-state structure determination of Ni-LHRH complex was accomplished by using NMR results and NMR-based distance geometry (DG). Interproton distances from nuclear Overhauser effect spectroscopy (NOESY) were utilized for the molecular structure determination. Results were compared with previous structures obtained from energy minimization and other spectroscopic methods. Structure obtained in this study has a cyclic conformation which is similar to that of energy minimized, and exhibits a specific a-helical turn with residue numbers (2~7) out of 10 amino acids. Comparison of chemical shifts and EPR studies of Ni, Cu-LHRH complexes exhibit that Ni-LHRH complex has same binding sites with the 4-coordination mode as in Zn-LHRH complex.

Syntheses and Reactions of Iridium Complexes Containing Mixed Phosphine-Olefin Ligand: (3-(Diphenylphosphino)propyl)(3-butenyl)phenylphosphine

  • Young-ae W. Park;Devon W. Meek
    • Bulletin of the Korean Chemical Society
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    • v.16 no.6
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    • pp.524-528
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    • 1995
  • The reaction of [IrCl(cod)]2 with ppol ligand, Ph2PCH2CH2CH2P(Ph)CH2CH2CH=CH2, in ethanol gives an iridium complex, whose structure is converted from an ionic form, [Ir(cod)(ppol)]Cl·2C2H5OH (1),in polar solvents (ethanol, methanol and acetonitrile), to a molecular form, [IrCl(cod)(ppol)], in non-polar solvents (benzene and toluene). The cationic complexes, [Ir(cod)(ppol)]AsF6·1/2C2H5OH and [Ir(cod)(ppol)]PF6·1/2CH3CN, were prepared to compare with the ionic form by 31P NMR spectroscopy. When carbon monoxide is introduced to 1, cod is replaced by CO to give the 5-coordinated complex, [IrCl(CO)(ppol)]. Hydrogenation of 1-octene was not successful in the presence of 1. In order to verify the reason for 1 not behaving as a good catalyst for hydrogenation, electrophilic reactions with HCl, I2 and HBF4·etherate were performed, which yielded the oxidative addition product, [IrHCl2(ppol)], the substitution product, [IrI(cod)(ppol)], and another cationic product, [Ir(cod)(ppol)]BF4, respectively. Thus, the iridium complex is not sufficiently basic to activate hydrogen atoms or the olefin of the ppol ligand.

A Synthesis of UV Hard Coating Solution for Plastic Display Plate Using Poly(Urethane Acrylate) Siloxane Oligomer (Poly(Urethane Acrylate) Siloxane Oligomer를 이용한 플라스틱 디스플레이 기판용 UV 하드코팅 용액의 합성)

  • Back, Sung Kyun;Jang, Sun Ho;Yoo, Seong Sik;Cho, Ur Ryong
    • Journal of the Semiconductor & Display Technology
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    • v.16 no.3
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    • pp.87-92
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    • 2017
  • Poly(urethane acrylate) siloxane oligomers with Interpenetrating polymer networked nanoparticles were prepared to synthesize hard coating solution by reaction with isophorone diisocyanate(IPDI) of 1, 2, 3, 4 phr. The structures and molecular weights of the synthesized solutions were characterized by IR spectroscopy and gel permeation chromatography, respectively. In the cross-cut test for the adhesion, all the solutions showed good adhesion of 5B regardless of the content of IPDI and film thickness. The addition of 1 phr IPDI resulted in the best pencil hardness. The IPDI combined siloxane hard coating solution showed more flexibility than the siloxane solution. These results will yield the improvement in the siloxane solution using for plastic display plate.

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Synthesis of Asymmetric Pyrazoline Derivatives from Phenylthiophenechalcones; DFT Mechanistic Study

  • Aboelnaga, Asmaa;Mansour, Eman;Ahmed, Hoda. A.;Hagar, Mohamed
    • Journal of the Korean Chemical Society
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    • v.65 no.2
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    • pp.113-120
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    • 2021
  • New phenylthiophenechalcones,1-(biphenyl-4-yl)-3-(5-phenylthiophen-2-yl)prop-2-en-1-one (3a) and 3-(5-phenylthiophen-2-yl)-1-(4-(piperidin-1-yl) phenyl) prop-2-en-1-one (3b) were synthesized, next, their treatment with thiosemicarbazide in ethanol afforded their pyrazoline derivatives (4a) and (4b), respectively. The molecular structures of the synthesized compounds were confirmed via elemental analysis, FT-IR, 1H, 13C NMR and mass spectroscopy. The geometrical elucidation of four suggested conformers has been studied for these compounds. DFT calculations have been performed to study the stability and the structural parameters of the predicted conformers and revealed that orientation of the biphenyl and the phenylthiophene moieties affect the stability of the estimated conformers of the synthesized chalcones and pyrazoline. Moreover, two reaction mechanisms have been proposed to illustrate the reaction products and the DFT calculations have been used to confirm the reaction mechanism of the pyrazoline compounds.

Purification and Characterization of Dermatan Sulfate from Eel Skin. Anguilla japonica

  • Lee, In-Seon;Sakai-Shinobu;Kim, Wan-Seok;Nakamura-Ayako;Imanari-Toshio;Toida-Toshihiko;Kim, Yeong-Shik
    • Proceedings of the PSK Conference
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    • 2002.10a
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    • pp.316.1-316.1
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    • 2002
  • Dermatan sulfate (DS) was isolated from eel skin (Anguilla japonica) bv actinase and endonuclease digeslions followed by ${\beta}$-elimination reaction and DEAE-Sephacel chromatography. DS was a major glycosaminoglycan in eel skin with 88% of the total uronic acid. The content of IdoA2S$\alpha$1longrightarrow4GalNAc4S sequence in eel skin. which is known to be a binding site to heparin cofactor II. was two times higher than that of dermatan sulfate from porcine skin. The anti-lla activity of eel skin dermatan sulfate mediated through heparin cofactor ll(NCL) was 25 units/mg. whereas DS from porcine skin shows 23.2 units/mg. The average molecular weight was determined as 14 kDa by gel chromatography on a TSKgel G3000SWXL column. Based on H1 NMR spectroscopy. we suggest that 3-sulfated and/or 2.3-sulfated ldoA residues are present in the chain.

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Genetic localization of epicoccamide biosynthetic gene cluster in Epicoccum nigrum KACC 40642

  • Choi, Eun Ha;Park, Si-Hyung;Kwon, Hyung-Jin
    • Journal of Applied Biological Chemistry
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    • v.65 no.3
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    • pp.159-166
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    • 2022
  • Epicoccum nigrum produces epipyrone A (orevactaene), a yellow polyketide pigment. Its biosynthetic gene cluster was previously characterized in E. nigrum KACC 40642. The YES liquid culture of this strain revealed high-level production of epicoccamide (EPC), with an identity that was determined using liquid chromatography-mass spectrometry analysis and molecular mass search using the SuperNatural database V2 webserver. The production of EPC was further confirmed by compound isolation and nuclear magnetic resonance spectroscopy. EPC is a highly reduced polyketide with tetramic acid and mannosyl moieties. The EPC structure guided us to localize the hypothetical EPC biosynthetic gene cluster (BGC) in E. nigrum ICMP 19927 genome sequence. The BGC contains genes encoding highly reducing (HR)-fungal polyketide synthase (fPKS)-nonribosomal peptide synthetase (NRPS), glycosyltransferase (GT), enoylreductase, cytochrome P450, and N-methyltrasnferase. Targeted inactivation of the HR-fPKS-NRPS and GT genes abolished EPC production, supporting the successful localization of EPC BGC. This study provides a platform to explore the hidden biological activities of EPC, a bolaamphiphilic compound.

An Investigation of the Terahertz Absorption Characteristics of a Graphene Oxide Aqueous Solution Using Microfluidic Technology

  • Ningyi Cai;Boyan Zhang;Qinghao Meng;Siyu Qian;Bo Su;Hailin Cui;Shengbo Zhang;Cunlin Zhang
    • Current Optics and Photonics
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    • v.7 no.2
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    • pp.119-126
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    • 2023
  • The vibratory and rotational levels of many biological macromolecules lie in the terahertz (THz) band, which means that THz techniques can be used to identify and detect them. Moreover, since the biological activity of most biomolecules only becomes apparent in aqueous solution, we use microfluidic technology to study the biological properties of these biomolecules. THz time-domain spectroscopy was used to study the THz absorption characteristics of graphene oxide (GO) aqueous solution at different concentrations and different exposure times in fixed electric or magnetic fields. The results show that the spectral characteristics of the GO solution varied with the concentration: as the concentration increased, the THz absorption decreased. The results also show that after placing the solution in an external electric field, the absorption of THz first increased and then decreased. When the solution was placed in a magnetic field, the THz absorption increased with the increase in standing time. In this paper, these results are explained based on considerations of what is occurring at the molecular scale. The results of this study provide technical support for the further study of GO and will assist with its improved application in various fields.

2 - 4 ㎛ Spectroscopy of Red Point Sources in the Galactic Center

  • Jang, DaJeong;An, Deokkeun;Sellgren, Kris;Ramirez, Solange V.;Boogert, Adwin;Geballe, Tom
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.2
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    • pp.49.2-49.2
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    • 2019
  • We present results from our long-term observing campaign, using the NASA IRTF at Maunakea, to obtain 2 - 4 ㎛ spectra of 118 red point sources in the line of sight to the Galactic Center (GC). Our sample is largely composed of point sources selected from near- and mid-infrared photometry, but also includes a number of massive young stellar objects. Many of these sources show high foreground extinction as shown by deep 3.4 ㎛ aliphatic hydrocarbon absorption feature, which is a characteristic of the diffuse ISM and comes from the long line of sight through the diffuse medium toward the Central Molecular Zone (CMZ), the central 300 pc region of the GC. The deep 3.1 ㎛ H2O ice absorption band coming from the local, dense material in the GC CMZ suggests that most sources are likely located in the GC CMZ. A few of these sources show weak CCH3OH ice absorption at 3.535 ㎛, which can provide a strong constraint on the CCH3OH ice formation in the unique environment of the CMZ. From the best-fitting models, the optical depths of these features are determined and used to generate a well-rounded view of the ice composition across the GC CMZ and the spectral characteristics of massive YSOs in the GC.

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