• Title/Summary/Keyword: Structure and spectral properties

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Synthesis and Characterization of UO2(VI), Th(IV), ZrO(IV) and VO(IV) Complexes with Schiff-Base Octaazamacrocyclic Ligands (Schiff-염기인 옥타아자-거대고리 리간드의 UO2(VI), Th(IV), ZrO(IV) 및 VO(IV) 착물 합성 및 특성)

  • Mohapatra, Ranjan Kumar;Dash, Dhruba Charan
    • Journal of the Korean Chemical Society
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    • v.54 no.4
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    • pp.395-401
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    • 2010
  • A series of macrocyclic complexes of the type [M(L/L')$(NO_3)_n$].$mH_2O$ and [VO(L/L')($SO_4$)].$2H_2O$, where L/L' is a Schiff base "3,4,10,11-tetraphenyl/tetramethyl-1,2,5,6,8,9,12,13-octaaza cyclotetradeca-2,4,9,11-tetraene-7,14-dithione" derived from thiocarbohydrazide (TCH), benzilmonohydrazone (BMH)/diacetylmonohydrazone (DMH) and carbon disulphide, M = $UO_2$ (VI), Th(IV) and ZrO(IV), n = 2, 4, m = 2, 3, have been synthesized via metal ion template methods. The complexes are characterized on the basis of elemental analysis, thermal analysis, molar conductivity, magnetic moment, electronic, infrared and $^1H$-NMR spectral studies. The ESR and cyclic voltammetry studies of the vanadyl complexes have been carried out. The results indicate that the VO(IV) ion is penta-coordinated yielding paramagnetic complexes; $UO_2$(VI) and ZrO(IV) ions are hexacoordinated where as Th(IV) ion is octa-coordinated yielding diamagnetic complexes of above composition.

Improved Photovoltaic Performance of Inverted Polymer Solar Cells using Multi-functional Quantum-dots Monolayer

  • Moon, Byung Joon;Lee, Kyu Seung;Kim, Sang Jin;Shin, Dong Heon;Oh, Yelin;Lee, Sanghyun;Kim, Tae-Wook;Park, Min;Son, Dong Ick;Bae, Sukang
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.400.1-400.1
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    • 2016
  • Interfacial engineering approaches as an efficient strategy for improving the power conversion efficiencies (PCEs) of inverted polymer solar cells (iPSCs) has attracted considerable attention. Recently, polymer surface modifiers, such as poly(ethyleneimine) (PEI) and polyethylenimine ethoxylated (PEIE), were introduced to produce low WF electrodes and were reported to have good electron selectivity for inverted polymer solar cells (iPSCs) without an n-type metal oxide layer. To obtain more efficient solar cells, quantum dots (QDs) are used as effective sensitizers across a broad spectral range from visible to near IR. Additionally, they have the ability to efficiently generate multiple excitons from a single photon via a process called carrier multiplication (CM) or multiple exciton generation (MEG). However, in general, it is very difficult to prepare a bilayer structure with an organic layer and a QD interlayer through a solution process, because most solvents can dissolve and destroy the organic layer and QD interlayer. To present a more effective strategy for surpassing the limitations of traditional methods, we studied and fabricated the highly efficient iPSCs with mono-layered QDs as an effective multi-functional layer, to enhance the quantum yield caused by various effects of QDs monolayer. The mono-layered QDs play the multi-functional role as surface modifier, sub-photosensitizer and electron transport layer. Using this effective approach, we achieve the highest conversion efficiency of ~10.3% resulting from improved interfacial properties and efficient charge transfer, which is verified by various analysis tools.

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Isolation and Characterization of an Acyclic Isoprenoid from Semecarpus anacardium Linn. and its Antibacterial Potential in vitro - Antimicrobial Activity of Semecarpus anacardium Linn. Seeds -

  • Purushothaman, Ayyakkannu;Meenatchi, Packirisamy;Saravanan, Nallappan;Karuppaiah, Muthu;Sundaram, Ramalingam
    • Journal of Pharmacopuncture
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    • v.20 no.2
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    • pp.119-126
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    • 2017
  • Objectives: Semecarpus anacardium Linn. is a plant well-known for its antimicrobial, antidiabetic and anti-arthritic properties in the Ayurvedic and Siddha system of medicine. This has prompted the screening of this plant for antibacterial activity. The main aims of this study were to isolate compounds from the plant's seeds and to evaluate their antibacterial effects on clinical bacterial test strains. Methods: The n-butanolic concentrate of the seed extract was subjected to thin layer chromatography (TLC) and repeated silica gel column chromatography followed by elution with various solvents. The compound was identified based on observed spectral (IR, $^1H$ NMR, $^{13}C$ NMR and high-resolution mass spectrometry) data. The well diffusion method was employed to evaluate the antibacterial activities of the isolated acyclic isoprenoid compound (final concentration: $5-15{\mu}g/mL$) on four test bacterial strains, namely, Staphylococcus aureus (MTCC 96), Bacillus cereus (MTCC 430), Escherichia coli (MTCC 1689) and Acinetobacter baumannii (MTCC 9829). Results: Extensive spectroscopic studies showed the structure of the isolated compound to be an acyclic isoprenoid ($C_{21}H_{32}O$). Moreover, the isoprenoid showed a remarkable inhibition of bacterial growth at a concentration of $15{\mu}g/mL$ compared to the two other doses tested (5 and $10{\mu}g/mL$) and to tetracycline, a commercially available antibiotic that was used as a reference drug. Conclusion: The isolation of an antimicrobial compound from Semecarpus anacardium seeds validates the use of this plant in the treatment of infections. The isolated compound found to be active in this study could be useful for the development of new antimicrobial drugs.

Advanced Nanoscale Characterization of Cement Based Materials Using X-Ray Synchrotron Radiation: A Review

  • Chae, Sejung R.;Moon, Juhyuk;Yoon, Seyoon;Bae, Sungchul;Levitz, Pierre;Winarski, Robert;Monteiro, Paulo J.M.
    • International Journal of Concrete Structures and Materials
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    • v.7 no.2
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    • pp.95-110
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    • 2013
  • We report various synchrotron radiation laboratory based techniques used to characterize cement based materials in nanometer scale. High resolution X-ray transmission imaging combined with a rotational axis allows for rendering of samples in three dimensions revealing volumetric details. Scanning transmission X-ray microscope combines high spatial resolution imaging with high spectral resolution of the incident beam to reveal X-ray absorption near edge structure variations in the material nanostructure. Microdiffraction scans the surface of a sample to map its high order reflection or crystallographic variations with a micron-sized incident beam. High pressure X-ray diffraction measures compressibility of pure phase materials. Unique results of studies using the above tools are discussed-a study of pores, connectivity, and morphology of a 2,000 year old concrete using nanotomography; detection of localized and varying silicate chain depolymerization in Al-substituted tobermorite, and quantification of monosulfate distribution in tricalcium aluminate hydration using scanning transmission X-ray microscopy; detection and mapping of hydration products in high volume fly ash paste using microdiffraction; and determination of mechanical properties of various AFm phases using high pressure X-ray diffraction.

Local Electronic Structures of $SiO_2$ Polymorph Crystals: Insights from O K-edge Energy-Loss Near-Edge Spectroscopy (산소 K-전자껍질 에너지-손실 흡수끝-부근 구조 양자계산을 이용한 $SiO_2$ 동질이상 광물의 전자구조 연구)

  • Yi, Yoo-Soo;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.23 no.4
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    • pp.403-411
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    • 2010
  • Essentials of understanding the geochemical evolution and geophysical processes in Earth's system are macroscopic properties and atomistic (and electronic) structures of Earth materials. Recent advances in quantum calculations based on the density functional theory allow us to unveil the previously unknown details of local atomic structures in diverse silicates in Earth's interior. Here, we report the O K-edge ELNES (energy-loss near-edge structure; ELNES) spectra and PLDOS (partial local density of states) for oxygen atoms in ${\alpha}$-quartz and stishovite using the quantum calculations based on FP-LAPW (full potential linearized augmented plane wave). The calculated O K-edge ELNES spectrum of ${\alpha}$-quartz shows a strong peak at ~538 eV due to comer-sharing oxygen linking two $SiO_4$ tetrahedra and that for stishovite shows two distinct peaks at ~537 and ~543 eV corresponding to edge-sharing oxygen linking $SiO_6$ octahedra. The significant differences in spectral features of O K-edge ELNES spectra suggest that the O K-edge features can be useful indicator to distinguish various oxygen sites in diverse crystal and amorphous silicates in the Earth's interior.

A New Model for the Reduced Form of Purple Acid Phosphatase: Structure and Properties of $[Fe_2BPLMP(OAc)_2](BPh_4)_2$

  • 임선화;이진호;이강봉;강성주;허남휘;Jang, Ho G.
    • Bulletin of the Korean Chemical Society
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    • v.19 no.6
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    • pp.654-660
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    • 1998
  • $[Fe^{II}Fe^{III}BPLMP(OAc)_2](BPh_4)_2$ (1), a new model for the reduced form of the purple acid phosphatases, has been synthesized by using a dinucleating ligand, 2,6-bis[((2-pyridylmethyl)(6-methyl-2-pyridylmethyl)amino) methyl]-4-methylphenol (HBPLMP). Complex I has been characterized by X-ray diffraction method as having (μ-phenoxo)bis(acetato)diiron core. Complex 1 was crystallized in the monoclinic space group C2/c with the following cell parameters: a=41.620(6) Å, b=14.020(3) Å, c=27.007(4) Å, β=90.60(2)°, and Z=8. The iron centers in the complex 1 are ordered as indicated by the difference in the Fe-O bond lengths which match well with typical $Fe^{III}-O\; and\; Fe^{II}-O$ bond lengths. Complex 1 has been studied by electronic spectral, NMR, EPR, SQUID, and electochemical methods. Complex 1 exhibits strong bands at 592 nm, 1380 nm in $CH_3CN$ (ε = 1.0 × 103 , 3.0 × 102). These are assigned to $phenolate-to-Fe^{III}$ and intervalence charge-transfer transitions, respectively. Its NMR spectrum exhibits sharp isotropically shifted resonances, which number half of those expected for a valence-trapped species, indicating that electron transfer between $Fe^{II}\;and\;Fe^{III}$ centers is faster than NMR time scale. This complex undergoes quasireversible one-electron redox processes. The $Fe^{III}_2/Fe^{II}Fe^{III}\;and\;Fe^{II}Fe^{III}/Fe^{II}_2$ redox couples are at 0.655 and -0.085 V vs SCE, respectively. It has $K_{comp}=3.3{\times}10^{12}$ representing that BPLMP/bis(acetate) ligand combination stabilizes a mixed-valence $Fe^{II}Fe^{III}$ complex in the air. Complex 1 exhibits a broad EPR signal centered near g=1.55 which is a characteristic feature of the antiferromagnetically coupled high-spin $Fe^{II}Fe^{III}$ system $(S_{total}=1/2)$. This is consistent with the magnetic susceptibility study showing the weak antiferromagnetic coupling $(J= - 4.6\;cm^{-1},\; H= - 2JS_1{\cdot}S2)$ between $Fe^{II}\; and \;Fe^{III}$center.

Synthesis and Characterization of Homo Binuclear Macrocyclic Complexes of UO2(VI), Th(IV), ZrO(IV) and VO(IV) with Schiff-Bases Derived from Ethylene diamine/Orthophenylene Diamine, Benzilmonohydrazone and Acetyl Acetone

  • Mohapatra, R.K.;Ghosh, S.;Naik, P.;Mishra, S.K.;Mahapatra, A.;Dash, D.C.
    • Journal of the Korean Chemical Society
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    • v.56 no.1
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    • pp.62-67
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    • 2012
  • A series of homo binuclear complexs of the type $[M_2(L/L^')(NO_3)n].mH_2O$, [where $M=U{O_2}^{2+},\;Th^{4+},\;ZrO^{2+}$] and $[(VO)_2(L/L^')(SO_4)_2]{\cdot}2H_2O$, L=1,5,6,9,12,15,16,20 octaaza-7,813,14-tetraphenyl-2,4,17,19-tetramethyl-1,4,6,8,12,14,16,19-docosaoctene (OTTDO) or L'=10:11;21:22-dibenzo-1,5,6,9,12,15,16,20-octaaza-7,813,14-tetraphenyl-2,4,17,19-tetramethyl-1,4,6,8,12,14,16,19-docosaoctene (DOTTOT), n=4 for $U{O_2}^{2+}$, $ZrO^{2+}$ n=8 for $Th^{4+}$ m=1,2,3 respectively, have been synthesized in template method from ethylenediamine/orthophenylene diamine, benzil monohydrazone and acetyl acetone and characterized on the basis of elemental analysis, thermal analysis, molar conductivity, magnetic moment, electronic, infrared, $^1H$-NMR studies. The results indicate that the VO(IV) ion is penta co-ordinated yielding paramagnetic complexes; $UO_2(VI)$, ZrO(IV) ions are hexa co-ordinated where as Th(IV) ion is octa co-ordinated yielding diamagnetic complexes of above composition. The fungi toxicity of the ZrO(IV) and VO(IV) complexes against some fungal pathogen has been studied.

Fabrication and Characteristics of Photoconductive Amorphous Silicon Film for Facsimile (팩시밀리용 비정질 실리콘 광도전막의 제작 및 특성)

  • Kim, Jeong-Seob;Oh, Sang-Kwang;Kim, Ki-Wan;Lee, Wu-Il
    • Journal of the Korean Institute of Telematics and Electronics
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    • v.26 no.6
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    • pp.48-56
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    • 1989
  • Contact-type linear image sensors for facsimile have been fabricated by means of rf glow discharge decomposition method of silane. The dependence of their electrical and optical properties on rf power, $SiH_4$ flow rate, ambient gas pressure, $H_2SiH_4$ ratio and substrate temperature are described. The a-Si:H monolayer demonstriated photosensitivity of 0.85 and $I_{ph}/I_d$ ratio of 100 unger 100 lux illumination. However, this monolayer has relatively high dark current due to carrier injection from both electrodes, resulting in low $I_{ph}/I_{dd}$ ratio. To suppress the dark current we have fabricated $SiO_2/i-a-Si:H/p-a-Si:H:B$ multilayer film with blocking structure. The photocurrent of this multilayer sensor with 6 V bias became saturated ar about 20nA under 10 lux illumination, while the dark current was less than 0.2 nA. Moreover, the spectral sensitivity of the multilayer film was enhanced for short wavelength visible region, compared with that of the a-Si:H monolayer. These results show that the fabricated photocon-ductive film can be used as the linear image sensor of the facsimile.

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Dynamic Amplification Characteristics of Major Domestic Seismic Observation Sites using Ground Motions from Domestic Macro Earthquakes (국내 중규모지진의 자료를 이용한 주요 관측소 지반의 동적 증폭특성에 관한 연구)

  • Kim, Jun Kyoung
    • The Journal of Engineering Geology
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    • v.22 no.4
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    • pp.399-408
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    • 2012
  • To estimate seismic source and soil-structure interaction more reliably, site amplification characteristics should be considered. Among the various estimation methods, we used Nakamura's method (1989) to estimate site amplification. This method was originally applied to background noise; however, it has recently been successfully applied to S-wave and Coda-wave energy, and is applied to S-waves in the present study. We used more than 180 observed ground motions from 23 macro-earthquakes and then analyzed site amplification characteristics at eight seismic stations. Each station showed characteristics of site amplification properties in the low-, high- and resonance-frequency ranges. Comparison of the present results with those of other studies provide successful information regarding the dynamic amplification of domestic site characteristics and site classification.

Comparison of the Binding Modes of [Ru(2,2'-bipyridine)3]2+ and [Ru(2,2':6',2"-terpyridine)2]2+ to Native DNA

  • Jang, Yoon-Jung;Lee, Hyun-Mee;Jang, Kyeung-Joo;Lee, Jae-Cheol;Kim, Seog-K.;Cho, Tae-Sub
    • Bulletin of the Korean Chemical Society
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    • v.31 no.5
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    • pp.1314-1318
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    • 2010
  • The $[Ru(tpy)_2]Cl_2$ (tpy:2,2':6',2"-terpyridine) complex was synthesized and its structure was confirmed by $^1H$-NMR and elemental analysis. Its binding mode toward DNA was compared with the well-known $[Ru(bpy)_3]Cl_2$ (bpy:2,2-bipyridyl), using isotropic absorption, linear dichroism(LD) spectroscopy, and an energy minimization study. Compared to $[Ru(bpy)_3]^{2+}$, the $[Ru(tpy)_2]^{2+}$ complex exhibited very little change in its absorption pattern, especially in the MLCT band, upon binding to DNA. Furthermore, upon DNA binding, both Ru(II) complexes induced a decrease in the LD magnitude in the DNA absorption region. The $[Ru(tpy)_2]^{2+}$ complex produced a strong positive LD signal in the ligand absorption region, which is in contrast with the $[Ru(bpy)_3]^{2+}$ complex. Observed spectral properties led to the conclusion that the interaction between the ligands and DNA bases is negligible for the $[Ru(tpy)_2]^{2+}$ complex, although it formed an adduct with DNA. This conclusion implies that both complexes bind to the surface of DNA, most likely to negatively charged phosphate groups via a simple electrostatic interaction, thereby orienting to exhibit the LD signal. The energy minimization calculation also supported this conclusion.