• Title/Summary/Keyword: Structure-spectra correlation

Search Result 42, Processing Time 0.028 seconds

Correlation between the Annealing Effect and the Electrical Characteristics of the Depletion Region in ZnO, SnO2 and ZTO Films

  • Oh, Teresa
    • Transactions on Electrical and Electronic Materials
    • /
    • v.17 no.2
    • /
    • pp.104-108
    • /
    • 2016
  • To research the correlation between oxygen vacancy and the electrical characteristics of ZTO, which is made by using a target mixed ZnO:SnO2=1:1, the ZnO, SnO2 and ZTO were analyzed by PL, XPS, XRD patterns and electrical properties. It was compared with the electron orbital spectra of O 1s in accordance with the electrical characteristics of ZnO, SnO2 and ZTO. The electrical characteristics of ZTO were improved by increasing the annealing temperatures, due to the high degree of crystal structures at a high temperature, and the physical properties of ZTO was similar to that of ZnO. The amorphous structure of SnO2 was increased with increasing the temperature. The Schottky contact of oxide semiconductors was formed using the depletion region, which is increased by the electron-hole combination due to the annealing processes. ZnO showed the Ohmic contact in spite of a high annealing temperature, but SnO2 and ZTO had Schottky contact. As such, it was confirmed that the electrical properties of ZTO are affected by the molecules of SnO2.

Easy-to-execute 'One-pot' Synthesis of 1,2,4,5-Tetrazines Catalyzed by Activated Fly Ash (활성화된 비산회 촉매를 이용하여 간단히 수행된 1,2,4,5-Tetrazines의 One-pot 합성)

  • Gopalakrishnan, M.;Thanusu, J.;Kanagarajan, V.
    • Journal of the Korean Chemical Society
    • /
    • v.51 no.6
    • /
    • pp.520-525
    • /
    • 2007
  • Three-component coupling of thiourea/urea, various structurally diverse aromatic aldehydes and ammonium acetate is catalyzed by activated fly ash in dry media under microwave irradiation to give 6-aryl-1,2,4,5-tetrazinan- 3-thiones/ones in good yields. The structure of 6-aryl-1,2,4,5-tetrazinan-3-thiones/ones have been elucidated on the basis of their melting points, elemental analysis, MS, IR, 1H NMR, D2O exchange, 13C NMR and two dimensional NMR spectral studies including Homonuclear Correlation (HOMOCOR) and Heteronuclear Single Quantum Correlation (HSQC) spectra.

Thermal denaturation analysis of protein

  • Miyazawa, Mitsuhiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
    • /
    • 2001.06a
    • /
    • pp.1628-1628
    • /
    • 2001
  • Near infrared (NIR) spectroscopy is a powerful technique for non-destructive analysis that can be obtained in a wide range of environments. Recently, NIR measurements have been utilized as probe for quantitative analysis in agricultural, industrial, and medical sciences. In addition, it is also possible to make practical application on NIR for molecular structural analysis. In this work, Fourier transform near infrared (FT-NIR) measurements were carried out to utilize extensively in the relative amounts of different secondary structures were employed, such as Iysozyme, concanavalin A, silk fibroin and so on. Several broad NIR bands due to the protein absorption were observed between 4000 and $5000\;^{-1}$. In order to obtain more structural information from these featureless bands, second derivative and Fourier-self-deconvolution procedures were performed. Significant band separation was observed near the feature at $4610\;^{-1}$ ,. Particularly the peak intensity at $4525\;^{-1}$ shows a characteristic change with thermal denaturation of fibroin. The structural information can be also obtained by mid-IR and CD spectral. Correlation of NIR spectra with protein structure is discussed.

  • PDF

Active-Sensing Lamb Wave Propagations for Damage Identification in Honeycomb Aluminum Panels

  • Flynn, Eric B.;Swartz, R.Andrew;Backman, Daniel E.;Park, Gyu-Hae;Farrar, Charles R.
    • Journal of the Korean Society for Nondestructive Testing
    • /
    • v.29 no.4
    • /
    • pp.269-282
    • /
    • 2009
  • This paper presents a novel approach for Lamb wave based structural health monitoring(SHM) in honeycomb aluminum panels. In this study, a suite of three signal processing algorithms are employed to improve the damage detection capability. The signal processing algorithms used include wavelet attenuation, correlation coefficients of power density spectra, and triangulation of reflected waves. Piezoelectric transducers are utilized as both sensors and actuators for Lamb wave propagation. These SHM algorithms are built into a MatLab interface that integrates and automates the hardware and software operations and displays the results for each algorithm to the analyst for side by side comparison. The effectiveness of each of these signal processing algorithms for SHM in honeycomb aluminum panels under a variety of damage conditions is then demonstrated.

Effect of Structural and Morphological Changes on the Conductivity of Stretched PANI-DBSA/HIPS Film

  • Lee, Jong-Hyeok;Kim, Eun-Ok
    • Bulletin of the Korean Chemical Society
    • /
    • v.32 no.8
    • /
    • pp.2661-2665
    • /
    • 2011
  • We studied the effect of structural and morphological changes on the conductivity of a stretched conducting polymer film. To improve the poor processability of polyaniline, we used dodecylbenzenesulfonic acid as both a surfactant and a dopant during emulsion polymerization, followed by blending with high-impact polystyrene. UV-Vis/NIR spectra were obtained to observe conformational changes, and SEM and AFM were used to investigate morphological changes. FT-IR dichroism was applied to determine the microscopic orientation, and XRD patterns were obtained for quantitative crystallinity analysis. The electrical conductivity (${\sigma}_{\parallel}/{\sigma}_{\perp}$) was measured as a function of draw ratio. We found a clear correlation between morphological changes and (${\sigma}_{\parallel}/{\sigma}_{\perp}$), especially at the stretching limit. The conductivity of the films can be modified according to the desired application by controlling their structure and morphology.

Correlation between Capacitance and Structure-optical Properties of Semiconductor with Zero Leakage Current (누설전류 Zero인 반도체 물질의 구조적 광학적 특성과 전도성과의 상관성)

  • Yun, Tae Hwan;Oh, Teresa
    • Journal of the Semiconductor & Display Technology
    • /
    • v.14 no.3
    • /
    • pp.27-31
    • /
    • 2015
  • It was the electrical properties of ZnS treated by the annealing in a vaccum and an atmosphere conditions to reseached the leakage current effect of semiconductor devices. Most samples were shown the non-linear with unipolar properties, but the ZnS annealed at $100^{\circ}C$ in a vaccum was only observed no leakage current in a range of -20 V< voltage < 15 V. The crystallinity of ZnS with no leakage current was improved and optical property was also improved. Because the ambipolar characteristics and low leakage currents originated from the extension effect of a depletion width by electron-hole combination in the depletion layer.

Four New Furanosesquiterpenes Isolated from the Marine Sponge Dysidea species

  • Yeong Du Yoo;Jung-Rae Rho
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.27 no.4
    • /
    • pp.35-41
    • /
    • 2023
  • From a marine sponge Dysidea species, four new furanosesquiterterpenoids were isolated and characterized. Their structural elucidation was achieved through an extensive analysis employing NMR, MS data, and DFT method. Notably, all compounds shared as identical molecular formula. Compound 2 was identified as a derivative of compound 1, while compounds 3 and 4 exhibited an identical planar structure. Determination of the configurations of chiral centers in compounds 1 and 2 involved a comparative analysis between measured and calculated ECD spectra, along with the application of DP4+ probability analysis. Distinctly, the configurations of isomers 3 and 4 were established by scrutinizing proton chemical shifts based on the NOE correlation.

$^{13}C-^{1}H$ Coupling Constant as a Criterion for the Presence of $\pi$ Bridging in Substituted 9-Benzonorbornenyl Cation

  • Gweon-Young Ryu;Jung-Hyu Shin
    • Bulletin of the Korean Chemical Society
    • /
    • v.14 no.5
    • /
    • pp.546-548
    • /
    • 1993
  • The discrete structure of substituted 9-benzonorbornenyl cation 3a and 3c was studied using the empirical ${\Delta}$J equation which was developed by Kelly and coworker$^5$. The ${\Delta}$J values of substituted 9-benzonorbornenyl cations were obtained from p-methyl-6,7-dimethyl benzonorbornen-9-yl (3a) and 9-methyl-6,7-dimethyl benzonorbonen-9-yl (3c) cations under stable ion conditions, and were compared with those of the corresponding ketone analog; these cations were generated by dissolving the corresponding carbinols in superacid at -120$^{\circ}$C and the nmr spectra taken at -60$^{\circ}$C~-90$^{\circ}$C. The ${\Delta}$J values are 8.7 Hz for the bridgehead carbons in cation 3c and 3.1 Hz for cation 3b. The ${\Delta}$J values at C5,8 in fused benzene ring are 14.3 Hz for cation 3c and 8.7 Hz for cation 3a. The excellent correlation of the ${\Delta}$J values with 1$^9F$ chemical shifts of p-fluorophenyl-6,7-dimethylbenzonorbornenyl cation (3d) indicate that ${\Delta}$J value is a reliable probe to charge density at adjacent cationic carbon. These NMR parameters strongly support that the symmetrically ${\pi}$-bridged nonclassical structure (type 2) of substituted 9-benzonorbornenyl cations in stable ion conditions.

Molecular Dynamics Simulation Studies of Zeolite A. Ⅶ. Structure and Dynamics of $H^+$ ions in a Nom-Rigid Dehydrated H12-A Zeolite Framework

  • 이송희;최상구
    • Bulletin of the Korean Chemical Society
    • /
    • v.20 no.3
    • /
    • pp.285-290
    • /
    • 1999
  • In the present paper, we report a molecular dynamics (MD) simulation study for the structure and dynamics of H+ ions in non-rigid dehydrated H12-A zeolite framework at 298.15 K, using the same method we used in our previous studies of rigid and non-rigid zeolite-A frameworks. It is found that two different structures appear, depending on the choice of the Lennard-Jones parameter (σ) for the H+ ion, as is also observed in the study of rigid dehydrated H12-A zeolite framework, but the ranges of σ are different for the two structures. It is also found that some of the H+ ions exchanged their sites without changing the number of H+ ions at each site. The agreement between experimental and calculated structural parameters for non-rigid dehydrated H12-A zeolite is generally quite good. The calculated IR spectrum by Fourier transform of the total dipole moment auto-correlation function shows two major peaks, one around 2700 cm-1 and the other around 7000 cm-1. The former appears in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, as an indication of a new formation of a vibrational mode of the framework due to the adsorption of the H+ ions.

Effects of fermentation on protein profile of coffee by-products and its relationship with internal protein structure measured by vibrational spectroscopy

  • Samadi;Xin Feng;Luciana Prates;Siti Wajizah;Zulfahrizal;Agus Arip Munawar;Peiqiang Yu
    • Animal Bioscience
    • /
    • v.36 no.8
    • /
    • pp.1190-1198
    • /
    • 2023
  • Objective: To our knowledge, there are few studies on the correlation between internal structure of fermented products and nutrient delivery from by-products from coffee processing in the ruminant system. The objective of this project was to use advanced mid-infrared vibrational spectroscopic technique (ATR-FT/IR) to reveal interactive correlation between protein internal structure and ruminant-relevant protein and energy metabolic profiles of by-products from coffee processing affected by added-microorganism fermentation duration. Methods: The by-products from coffee processing were fermented using commercial fermentation product, called Saus Burger Pakan, consisting of various microorganisms: cellulolytic, lactic acid, amylolytic, proteolytic, and xylanolytic microbes, for 0, 7, 14, 21, and 28 days. Protein chemical profiles, Cornell Net Carbohydrate and Protein System crude protein and CHO subfractions, and ruminal degradation and intestinal digestion of protein were evaluated. The attenuated total reflectance-Ft/IR (ATR-FTIR) spectroscopy was used to study protein structural features of spectra that were affected by added microorganism fermentation duration. The molecular spectral analyses were carried using OMNIC software. Molecular spectral analysis parameters in fermented and non-fermented by-products from coffee processing included: Amide I area (AIA), Amide II (AIIA) area, Amide I heigh (AIH), Amide II height (AIIH), α-helix height (αH), β-sheet height (βH), AIA to AIIA ratio, AIH to AIIH ratio, and αH to βH ratio. The relationship between protein structure spectral profiles of by-products from coffee processing and protein related metabolic features in ruminant were also investigated. Results: Fermentation decreased rumen degradable protein and increased rumen undegradable protein of by-products from coffee processing (p<0.05), indicating more protein entering from rumen to the small intestine for animal use. The fermentation duration significantly impacted (p<0.05) protein structure spectral features. Fermentation tended to increase (p<0.10) AIA and AIH as well as β-sheet height which all are significantly related to the protein level. Conclusion: Protein structure spectral profiles of by-product form coffee processing could be utilized as potential evaluators to estimate protein related chemical profile and protein metabolic characteristics in ruminant system.