• 제목/요약/키워드: Spectroscopic characterization

검색결과 228건 처리시간 0.022초

Effects of variety, region and season on near infrared reflectance spectroscopic analysis of quality parameters in red wine grapes

  • Esler, Michael B.;Gishen, Mark;Francis, I.Leigh;Dambergs, Robert G.;Kambouris, Ambrosias;Cynkar, Wies U.;Boehm, David R.
    • 한국근적외분광분석학회:학술대회논문집
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    • 한국근적외분광분석학회 2001년도 NIR-2001
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    • pp.1523-1523
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    • 2001
  • The wine industry requires practical methods for objectively measuring the composition of both red wine grapes on the vine to determine optimal harvest time; and of freshly harvested grapes for efficient allocation to vinery process streams for particular red wine products, and to determine payment of contract grapegrowers. To be practical for industry application these methods must be rapid, inexpensive and accurate. In most cases this restricts the analyses available to measurement of TSS (total soluble solids, predominantly sugars) by refractometry and pH by electropotentiometry. These two parameters, however, do not provide a comprehensive compositional characterization for the purpose of winemaking. The concentration of anthocyanin pigment in red wine grapes is an accepted indicator of potential wine quality and price. However, routine analysis for total anthocyanins is not considered as a practical option by the wider wine industry because of the high cost and slow turnaround time of this multi-step wet chemical laboratory analysis. Recent work by this ${group}^{l,2}$ has established the capability of near infrared (NIR) spectroscopy to provide rapid, accurate and simultaneous measurement of total anthocyanins, TSS and pH in red wine grapes. The analyses may be carried out equally well using either research grade scanning spectrometers or much simpler reduced spectral range portable diode-array based instrumentation. We have recently expanded on this work by collecting thousands of red wine grape samples in Australia. The sample set spans two vintages (1999 and 2000), five distinct geographical winegrowing regions and three main red wine grape varieties used in Australia (Cabernet Sauvignon, Shiraz and Merlot). Homogenized grape samples were scanned in diffuse reflectance mode on a FOSE NIR Systems6500 spectrometer and subject to laboratory analysis by the traditional methods for total anthocyanins, TSS and pH. We report here an analysis of the correlations between the NIR spectra and the laboratory data using standard chemometric algorithms within The Unscrambler software package. In particular, various subsets of the total data set are considered in turn to elucidate the effects of vintage, geographical area and grape variety on the measurement of grape composition by NIR spectroscopy. The relative ability of discrete calibrations to predict within and across these differences is considered. The results are then used to propose an optimal calibration strategy for red wine grape analysis.

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Construction and Characterization of Vitreoscilla Hemoglobin (VHb) with Enhanced Peroxidase Activity for Efficient Degradation of Textile Dye

  • Zhang, Zidong;Li, Wei;Li, Haichao;Zhang, Jing;Zhang, Yuebin;Cao, Yufeng;Ma, Jianzhang;Li, Zhengqiang
    • Journal of Microbiology and Biotechnology
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    • 제25권9호
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    • pp.1433-1441
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    • 2015
  • Pollution resulting from the discharge of textile dyes into water systems has become a major global concern. Because peroxidases are known for their ability to decolorize and detoxify textile dyes, the peroxidase activity of Vitreoscilla hemoglobin (VHb) has recently been studied. It is found that VHb and variants of this enzyme show great promise for enzymatic decolorization of dyes and may play a role in achieving their successful removal from industrial wastewater. The level of VHb peroxidase activity correlates with two amino acid residues present within the conserved distal pocket, at positions 53 and 54. In this work, sitedirected mutagenesis of these residues was performed and resulted in improved VHb peroxidase activity. The double mutant, Q53H/P54C, shows the highest dye decolorization and removal efficiency, with 70% removal efficiency within 5 min. UV spectral studies of Q53H/P54C reveals a more compact structure and an altered porphyrin environment (λSoret = 413 nm) relative to that of wild-type VHb (λSoret = 406), and differential scanning calorimetry data indicate that the VHb variant protein structure is more stable. In addition, circular dichroism spectroscopic studies indicate that this variant's increased protein structural stability is due to an increase in helical structure, as deduced from the melting temperature, which is higher than 90℃. Therefore, the VHb variant Q53H/P54C shows promise as an excellent peroxidase, with excellent dye decolorization activity and a more stable structure than wild-type VHb under high-temperature conditions.

고도정수처리 공정에서 수질계 휴믹물질의 구조 및 화학적 특성분석 (Structural and Chemical Characterization of Aquatic Humic Substances in Advanced Water Treatment Processes)

  • 김현철;유명진
    • 대한환경공학회지
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    • 제27권3호
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    • pp.240-246
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    • 2005
  • 오존 및 입상활성탄 공정으로 구성된 고도정수처리시설을 대상으로 공정유입수인 모래여과수를 포함하는 각각의 공정수로부터 휴믹물질(HS; humic substances)을 분리 및 추출하여 작용기 분포, 화학적 조성, FT-IR(Fourier transform infrared) 그리고 $^1H$-NMR(proton nuclear magnetic resonance) 스펙트럼을 분석하여 구조 및 화학적 특성을 평가하였다. 오존처리에 이어 입상활성탄 흡착처리를 거치면서 휴믹성분(humic fraction)의 농도분포는 36.3%에서 24.2%로 단계적으로 감소하였으며, 모래여과수가 활성탄 흡착칼럼으로 직접 유입되는 공정의 경우 36.3%에서 25.0%로 감소하는 것으로 나타났다. 전오존처리 이후 활성탄 흡착처리시 HS 중 페놀기(phenolic groups)와 카르복실기(carboxylic groups)의 농도분포는 38.4%에서 23.5%로 그리고 61.6%에서 43.3%로 각각 감소하였으며, 전오존처리하지 않은 경우 38.4%에서 24.0%로 그리고 61.6%에서 44.9%로 각각 감소하였다. 정수처리를 거치면서 HS의 카르복실기에 대한 페놀기의 비율에 따라 HS 분자구조 중 O/C 몰비가 감소하거나 또는 증가하는 결과를 나타내었다.

유기금속 화학 기상증착법으로 실리콘 기판위에 증착된 질소치환 $TiO_2$ 박막의 특성분석 (Characterization of Nitrogen-Doped $TiO_2$ Thin Films Prepared by Metalorganic Chemical Vapor Deposition)

  • 이동헌;조용수;이월인;이전국;정형진
    • 한국세라믹학회지
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    • 제31권12호
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    • pp.1577-1587
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    • 1994
  • TiO2 thin films with the substitution of oxygen with nitrogen were deposited on silicon substrate by metalorganic chemical vapor deposition (MOCVD) using Ti(OCH(CH3)2)4 (titanium tetraisopropoxide, TTIP) and N2O as source materials. X-ray diffraction (XRD) results indicated that the crystal structure of the deposited thin films was anatase TiO2 with only (101) plane observed at the deposition temperatures of 36$0^{\circ}C$ and 38$0^{\circ}C$, and with (101) and (200) plane at above 40$0^{\circ}C$. Raman spectroscopic results indicated that the crystal structure was anatase TiO2 in accordance with the XRD results without any rutile, fcc TiN, or hcp TiN structure. No fundamental difference was observed with temperature increase, but the peak intensity at 194.5 cm-1 increased with strong intensity at 143.0 cm-1 for all samples. The crystalline size of the films varied from 49.2 nm to 63.9 nm with increasing temperature as determined by slow-scan XRD experiments. The refractive index of the films increased from 2.40 to 2.55 as temperature increased. X-ray photoelectron spectroscopy (XPS) study showed only Ti 2s, Ti 2p, C 1s, O 1s and O 2s peaks at the surface of the film. The composition of the surface was estimated to be TiO1.98 from the quatitative analysis. In the bulk of the film Ti 2s, Ti 2p, O 1s, O 2s, N 1s and N 2s were detected, and Ti-N bonding was observed due to the substitution of oxygen with nitrogen. A satellite structure was observed in the Ti 2p due to the Ti-N bonding, and the composition of titanium nitride was determined to be about TiN1.0 from the position of the binding energy of Ti-N 2p3/2 and the quatitative analysis. The spectrum of Ti 2p energy level could be the sum of a 4, 5, or 6 Gaussian curve reconstruction, and the case of the sum of the 6 Gaussian curve reconstruction was physically most meaningful. From the results of Auger electron spectroscopy (AES), it was known that the composition was not varied significantly throughout the whole thickness of the film, and silicon oxide was not observed at the interface between the film and the substrate. The composition of the film was possible (TiO2)1-x.(TiN)x or TiO2-2xNx and in this experimental condition x was found to be about 0.21-0.16.

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Aminophosphine류 리간드가 배위된 Ni(Ⅱ) 착물, Ni(L)X$_2$ 및 [Ni(L)$_2$]Cl$_2$ (L = L$_1$, L$_2$ ; X = Cl$^-$, Br$^-$, I$^-$)의 합성과 성질 (Synthesis and Characterization of Ni(Ⅱ) Complexes with Aminophosphine, Ni(L)X$_2$ and [Ni(L)$_2$]Cl$_2$ (L = L$_1$, L$_2$ ; X = Cl$^-$, Br$^-$, I$^-$))

  • 정맹준;박상규;정민호;김봉곤;도명기
    • 대한화학회지
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    • 제38권4호
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    • pp.288-294
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    • 1994
  • 1,2-bis{(diphenylphosphino)amino}propane(L$_1$) , 1,2-bis{(diphenylphosphino)amino}ethane(L$_2$)이 배위된 니켈(Ⅱ)착물, [Ni(L)X$_2$] 및 Ni(L$_2$)Cl$_2$(L = L$_1$, L$_2$ ; X = Cl$^-$, Br$^-$, I$^-$)을 합성하고 분광학적 성질을 조사하였다. X = Cl$^-$ 또는 Br$^-$인 경우에는 사각평면형 착물의 특성을 보였고, I$^-$는 사면체형 착물의 특성을 나타내었다. 합성된 Ni(L)X$_2$착물은 극성을 가진 유기용매(EtOH, DMSO, THF 및 DMF)를 반응시켰을 때 용매의 주개 수(donor number)값에 따라 가용매분해반응이 진행됨을 전자흡수스펙트럼으로 확인하였다.

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Octamethylenethiafulvalene과 염화오스뮴, 이리듐, 백금 및 금 화합물의 합성과 특성에 관한 연구 (Synthesis and Characterization of Octamethylenethiafulvalene Compounds with Osmium, Iridium, Platinium and Gold Chloride)

  • 정찬규;이홍우;김영진;최성낙;김영인
    • 대한화학회지
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    • 제45권5호
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    • pp.442-447
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    • 2001
  • Octamethylenethiafulvalene(OMTTF)와 $HAuCl_4{\cdot}3H_2O$를 THF 용액 내에서 직접 반응시켜 $(OMTTF)AuCl_4$를 합성하였다. $(OMTTF)_2PtCl_4,\; (OMTTF)_2\;IrCl6{\cdot}2H_2O,\; (OMTTF)OsCl5{\cdot}THF$ 등은 각각 $H_2PtCl_6{\cdot}xH_2O,\;H_2IrCl_6{\cdot}xH_2O$$H_2OsCl_6$를 사용하여 유사한 방법으로 합성하였다. 합성된 화합물들은 자기적(EPR, 자화율 측정), 분광학적(IR, UV-Vis), 전기화학적(CV) 특성과 전기전도도를 측정하였다. 상온에서의 분말 전기전도도는 모두 ~$10^{-7}\; S{\cdot}cm^{-1}$ 이하의 낮은 전기전도도를 나타내었다. 합성 과정에서 OMTTF로부터 Au, Pt, Ir, Os 금속 화합물로 전하 이동이 이루어져 OMTTF는 완전히 이온화된 $OMTTF^+$ 양이온 라디칼로 존재하였다. $OMTTF^+$ 양이온 라디칼의 안정성은 산화·환원 전위 값에서 확인하였다. 자화율 결과로부터 $(OMTTF)_2IrCl_6{\cdot}2H_2O$$(OMTTF)OsCl5{\cdot}THF$에서는 $OMTTF^+$ 이온에 존재하는 홀전자와 중심 금속(Ir 및 Os)에 편재화된 홀전자들 사이에는 강한 반강자성 상호작용이 존재함을 알 수 있었다.

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400℃ 열처리한 삼원화합물 ZnxCd1-xS 박막의 분광학적 특성 연구 (Spectroscopic Characterization of 400℃ Annealed ZnxCd1-xS Thin Films)

  • 강광용;이승환;이남권;이정주;유윤식
    • 한국전자파학회논문지
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    • 제26권1호
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    • pp.101-112
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    • 2015
  • II~VI족 화합물 반도체 $Zn_xCd_{1-x}S$ 박막을 Indium-tin-oxide(ITO)가 도포된 유리기판 상에 열증발법을 사용하여 증착하였다. 박막의 합성비(molar ratio) x($0{\leq}x{\leq}1$)는 CdS(x=0) 박막과 ZnS(x=1) 박막을 포함하여, 삼원화합물 $Zn_xCd_{1-x}S$ 박막을 제조하기 위하여 변화시켰다. 또한, 증착한 박막의 결정성을 높이기 위하여 진공전기로에서 열처리 하였으며, 분광학적 특성조사를 위해서는 $400^{\circ}C$에서 열처리한 $Zn_xCd_{1-x}S$ 박막이 최적임을 알았다. $Zn_xCd_{1-x}S$ 박막의 합성비(x)와 전자적 구조를 조사하기 위하여 X-선 광전자 분광법(XPS)을 사용하였고, 박막시료의 광학적 에너지 띠 간격 $E_g$는 자외선-가시광-근접 적외선(UV-Vis-NIR) 분광법으로 측정하였으며, 합성비(x)값이 0에서 1까지 변화함에 따라 2.44~3.98 eV 범위의 값을 보여주었다. 끝으로, THz-TDS(Time Domain Spectroscopy) 시스템을 사용하고 $Zn_xCd_{1-x}S$ 박막의 THz파 특성을 측정하여 테라헤르츠(THz) 영역용 전자 및 광학 소자로서 응용가능성을 확인하였다.

Synthesis and Spectroscopic Characterization of Manganese(II), Iron(III) and Cobalt(III) Complexes of Macrocyclic Ligand. Potential of Cobalt(III) Complex in Biological Activity

  • El-Tabl, Abdou S.;Shakdofa, Mohamad M.E.;El-Seidy, Ahmed M.A.
    • 대한화학회지
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    • 제55권6호
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    • pp.919-925
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    • 2011
  • A new series of manganese(II), iron(III) and cobalt(III) complexes of 14-membered macrocyclic ligand, (3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine) have been prepared and characterized by elemental analyses, IR, UV-VIS, $^1H$- and $^{13}C$- NMR spectra, magnetic susceptibilities, conductivities, and ESR measurements. Molar conductance measurements in DMF solution indicate that the complexes are electrolytes. The ESR spectrum for cobalt(III) complex in $CD_3OD+10%D_2O$ after exposure to $^{60}Co-{\gamma}$-rays at 77 K using a 0.2217 M rad $h^{-1}$ vicrad source showed $g_{\perp}$ > $g_{\parallel}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_z2$ orbital with covalent bond character. In this case, the ligand hyperfine tensors are nearly collinear with ${\gamma}$-tensors, so there is no major tendency to bend. Therefore, little extra delocalization via the ring lobe of the $dz^2$ orbital occurs. However, the ESR spectrum in solid state after exposure to $^{60}Co-{\gamma}$-rays at 77 K showed $g_{\parallel}$ > $g_{\perp}$ > $g_e$, indicating that, the unpaired electron site is mainly present in the $d_x2_{-y}2$ ground state as the resulting spectrum contains a large number of randomly oriented molecules provided that, the principle directions of g and A tensors. Manganese (II) complex 2, $[H_{12}LMn]Cl_4.2H_2O$, showed six isotropic lines characteristic to an unpaired electron interacting with a nucleus of spin 5/2, however, iron(III) complex 3, $[H_{12}LFe]Cl_5.H_2O$, showed spectrum of a high spin $^{57}Fe$ (I=1/2), $d^5$ configuration. The geometry of these complexes was supported by elemental analyses, IR, electronic and ESR spectral studies. Complex 1 showed exploitation in reducing the amount of electron adducts formed in DNA during irradiation with low radiation products.

Isoniazid의 hydrazone을 갖는 몇 가지 니켈(II) 착물들의 합성, 자기적 및 전기적 성질, 열적 특성과 항균성에 대한 연구 (Synthesis, Magneto-Spectral, Electrochemical, Thermal Characterization and Antimicrobial Investigations of Some Nickel(II) Complexes of Hydrazones of Isoniazid)

  • Prasad, Surendra;Agarwal, Ram K.
    • 대한화학회지
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    • 제53권6호
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    • pp.683-692
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    • 2009
  • 본 연구는Isoniazid의 hydrazone으로부터 유도된 새로운 리간드를 갖는 몇 가지 새로운 니켈(II) 착물의 합성에 대해 보고한다. 착물의 조성은 [$Ni(L)_2X_2$] 또는 $[Ni(L)_3](ClO_4)_2$ {L = N-isonicotinamidofurfuraldimine(INH-FFL), N-isonicotinamido-3',4',5'-trimethoxybenzaldimine (INH-TMB) 또는 N-isonicotinamido-cinnamalidene (INH-CIN) 및 X=$Cl^-$, ${NO_3}^-$, $NCS^-$ 또는 $CH_3COO^-$} 이다. 리간드 hydrazone 은 카보닐 산소와 아조메틴 질소를 통해서 중성의 두 자리 (N및 O주개) 리간드로 작용한다. 육면체 구조를 갖는 새로운 착물들은 원소분석, 분자질량분석, 자화율, 열분석과 적외선 및 전기적 스펙트럼을 이용한 전기화학 및 분광학적 연구를 통해 규명하였다. 니트로벤젠($PhNO_2$) 에서의 전기 전도성 측정에 의하면 [$Ni(L)_2X_2$] 및 $[Ni(L)_3](ClO_4)_2$ 착물들은 각각 비전해질 및 1:2전해질임을 알았다. 착물의 기하구조를 알기 위한 열적특성도 역시 연구되었다. 니켈(II) 착물 및 약간의 표준 약품의 항균성 및 항진균성 또한 연구되었고, 이를 통해 착물이 적당한 향균성 활동을 하는 것을 알 수 있었다.

Pleurotus ostreatus에서 분리된 Glyoxalase I의 특성 (Purification and Characterization of Glyoxalase I from Pleurotus ostreatus)

  • 김성태;양갑석;석영재;허원기;강사욱
    • 미생물학회지
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    • 제32권4호
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    • pp.315-321
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    • 1994
  • Pleurotus ostreatus로부터 glyoxalase I(S-lactoyl-glutathione methylglyoxal lyase, EC 4.4.1.5)이 S-hexylglutathione affinity chromatography, Sephadex G-150 gel permeation chromatography, DEA-sepharose A-50 CL-6B ion exchange chromatography를 통해 순수 분리되었다. 이 결과, 전체 활성도의 21.7% fmf 수확하였으며, 분리 배수는 2,294 배 이었다. Gel filtration chromatography로 측정한 효소의 분자량은 34 kDa이며, SDS-PAGE 결과 본 효소는 분자량 17 kDa인 동일한 소단위체 두 개로 구성된 이합체라고 생각된다. Methylglyoxal과 phenylglyoxal에 대한 $K_m$ 값은 각각 0.39 mM 과 0.22 mM 이며 L-xylosone과 hydroxypyruvaldehyde에 대해서도 강한 친화력을 보여주었고, pH 6.5~7.5, $35~45^{\circ}C$에서 활성도가 가장 높았다. 이 효소의 반응 과정을 핵자기공 명분광법으로 분석한 결과, 분자내의 양성자 전달과정이 뚜렷이 관찰되었다.

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