• Bulletin of the Korean Chemical Society
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• 제33권10호
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• pp.3391-3396
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• 2012

Two-dimensional infrared (2D-IR) spectroscopy can probe the fast structural evolution of molecules under thermal equilibrium. Vibrational frequency fluctuation caused by structural evolution produced the time-dependent line shape change in 2D-IR spectrum. A variety of methods has been used to connect the evolution of 2D-IR spectrum with Frequency-Frequency Correlation Function (FFCF), which connects the experimental observables to a molecular level description. Here, a new method to extract FFCF from 2D-IR spectra is described. The experimental observable is the time-dependent frequency shift of maximum peak position in the slice spectrum of 2D-IR, which is taken along the excitation frequency axis. The direct relation between the 2D-IR peak shift and FFCF is proved analytically. Observing the 2D-IR peak shift does not need the full 2D-IR spectrum which covers 0-1 and 1-2 bands. Thus data collection time to determine FFCF can be reduced significantly, which helps the detection of transient species.

• 대한화학회지
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• 제47권5호
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• pp.447-459
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• 2003

일반화된 이차원 상관 분광학은 모든 분자 분광학 즉, 적외선 (infrared, IR), 근적외선 (near-infrared, NIR), 라만 (Raman) 및 형광 (fluorescence) 분광학뿐만 아니라 X-ray 회절, X-ray 흡수 분광학 (XAS), 크로마토그래피 (chromatography) 등에 적용되어 시간뿐만 아니라 온도, 압력, 농도, 조성과 같은 다른 물리적 변화인 외부 섭동 (perturbation) 아래에서 얻은 스펙트럼 분석의 새로운 분광학으로 다양한 분야의 연구가 활발히 진행 중이다. 또한 같은 외부 섭동 아래에서 얻은 완전히 다른 두 스펙트럼의 2D hetero-spectral correlation analysis가 가능하므로 다양한 분야 즉, 생체 물질, 고분자, 나노입자 등의 연구가 활발히 진행 중이다. 이런 다양한 분야의 응용성 때문에 ？일반？?이차원 상관 분광학？？물리, 분석, 고분자, 나노물질 및 생화학 연구에 새로운 방향을 제시할 수 있을 뿐만 아니라 바이오 나노기술 연구에 상승 효과를 제공할 수 있다. 본 논문은 "일반화된 이차원 상관 분광학"의 원리와 그 다양한 응용성을 본 저자들의 연구를 중심으로 소개하고자 한다.

• 대한약침학회지
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• 제19권2호
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• pp.145-154
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• 2016

Objectives: The aim of this paper is to investigate the activities of Malaysian local herbs (Clinacanthus nutans Lindau, Strobilanthes crispus, Murdannia bracteata, Elephantopus scaber Linn., Pereskia bleo, Pereskia grandifolia Haw., Vernonia amygdalina, and Swietenia macrophylla King) for anti-hypertensive and vasorelaxant activity. An infrared (IR) macro-fingerprinting technique consisting of conventional fourier transform IR (FTIR), second-derivative IR (SD-IR), and two-dimensional correlation IR (2D-correlation IR) analyses were used to determine the main constituents and the fingerprints of the Malaysian local herbs. Methods: The herbs were collected, ground into powder form, and then macerated by using three different solvents: distilled water, 50% ethanol, and 95% ethanol, respectively. The potentials of the extracts produced from these herbs for use as vasorelaxants were determined. Additionally, the fingerprints of these herbs were analyzed by using FTIR spectra, SD-IR spectra, and 2D-correlation IR spectra in order to identify their main constituents and to provide useful information for future pharmacodynamics studies. Results: Swietenia macrophylla King has the highest potential in terms of vasorelaxant activity, followed by Vernonia amygdalina, Pereskia bleo, Strobilanthes crispus, Elephantopus scaber Linn., Pereskia grandifolia Haw., Clinacanthus nutans Lindau, and Murdannia bracteata. The tri-step IR macro-fingerprint of the herbs revealed that most of them contained proteins. Pereskia bleo and Pereskia grandifolia Haw. were found to contain calcium oxalate while Swietenia macrophylla King was found to contain large amounts of flavonoids. Conclusion: The flavonoid content of the herbs affects their vasorelaxant activity, and the tri-step IR macro-fingerprint method can be used as an analytical tool to determine the activity of a herbal medicine in terms of its vasorelaxant effect.

• Bulletin of the Korean Chemical Society
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• 제30권5호
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• pp.1021-1025
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• 2009

A novel supramolecular network containing binuclear copper unit $[Cu(phen)_{2}({\mu}-ID\;A)Cu(phen){\cdot}(NO_{3})](NO_{3}){\cdot}4(H_{2}O)$ (1) was synthesized through the self-assembly of iminodiacetic acid ($H_2IDA$) and 1,10-phenanthroline (phen) in the condition of pH = 6. It has been characterized by the infrared (IR) spectroscopy, elemental analysis, single crystal X-ray diffraction, and thermogravimetric analysis (TGA). 1 shows a 2-D supramolecular structure assembled through strong and unique $\pi-\pi$ packing interactions. Density functional theory (DFT) calculations show that theoretical optimized structures can well reproduce the experimental structure. The TGA and powder X-ray diffraction (PXRD) curves indicate that the complex 1 can maintain the structural integrity even at the loss of free water molecules. The magnetic property is also reported in this paper.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.296-296
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• 2014

We investigate experimentally and theoretically the splitting of surface plasmon (SP) resonance peaks under TE- and TM-polarized illumination. The SP structure at infrared wavelength is fabricated with a 2-dimensional square periodic array of circular holes penetrating through Au (gold) film. In brief, the processing steps to fabricate the SP structure are as follows. (i) A standard optical lithography was performed to produce to a periodic array of photoresist (PR) circular cylinders. (ii) After the PR pattern, e-beam evaporation was used to deposit a 50-nm thick layer of Au. (iii) A lift-off processing with acetone to remove the PR layer, leading to final structure (pitch, $p=2.2{\mu}m$; aperture size, $d=1.1{\mu}m$) as shown in Fig. 1(a). The transmission is measured using a Nicolet Fourier-transform infrared spectroscopy (FTIR) at the incident angle from $0^{\circ}$ to $36^{\circ}$ with a step of $4^{\circ}$ both in TE and TM polarization. Measured first and second order SP resonances at interface between Au and GaAs exhibit the splitting into two branches under TM-polarized light as shown in Fig. 1(b). However, as the incidence angle under TE polarization is increased, the $1^{st}$ order SP resonance peak blue-shifts slightly while the splitting of $2^{nd}$ order SP resonance peak tends to be larger (not shown here). For the purpose of understanding our experimental results qualitatively, SP resonance peak wavelengths can be calculated from momentum matching condition (black circle depicted in Fig. 2(b)), $k_{sp}=k_{\parallel}{\pm}iG_x{\pm}jG_y$, where $k_{sp}$ is the SP wavevector, $k_{\parallel}$ is the in-plane component of incident light wavevector, i and j are SP coupling order, and G is the grating momentum wavevector. Moreover, for better understanding we performed 3D full field electromagnetic simulations of SP structure using a finite integration technique (CST Microwave Studio). Fig. 1(b) shows an excellent agreement between the experimental, calculated and CST-simulated splitting of SP resonance peaks with various incidence angles under TM-polarized illumination (TE results are not shown here). The simulated z-component electric field (Ez) distribution at incident angle, $4^{\circ}$ and $16^{\circ}$ under TM polarization and at the corresponding SP resonance wavelength is shown in Fig. 1(c). The analysis and comparison of theoretical results with experiment indicates a good agreement of the splitting behavior of the surface plasmon resonance modes at oblique incidence both in TE and TM polarization.

• Journal of Microbiology and Biotechnology
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• 제33권6호
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• pp.797-805
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• 2023

Species belonging to the Vernonia (Asteraceae), the largest genus in the tribe Vernonieae (consisting of about 1,000 species), are widely used in food and medicine. These plants are rich sources of bioactive sesquiterpene lactones and steroid saponins, likely including many as yet undiscovered chemical components. A phytochemical investigation resulted in the separation of three new stigmastane-type steroidal saponins (1 - 3), designated as vernogratiosides A-C, from whole plants of V. gratiosa. Their structures were elucidated based on infrared spectroscopy (IR), one-dimensional (1D) and two-dimensional nuclear magnetic resonance (2D NMR), high-resolution electrospray ionization mass spectrometry (HR-ESI-MS), and electronic circular dichroism analyses (ECD), as well as chemical reactivity. Molecular docking analysis of representative saponins with α-glucosidase inhibitory activity was performed. Additionally, the intended substances were tested for their ability to inhibit α-glucosidase activity in a laboratory setting. The results suggested that stigmastane-type steroidal saponins from V. gratiosa are promising candidate antidiabetic agents.

• 한국환경과학회:학술대회논문집
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• 한국환경과학회 2006년도 추계 학술발표회 발표논문집
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• pp.285-289
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• 2006

In screening of algicidal bacteria, we isolated a marine bacterium which had potent algicidal effects on harmful algal bloom (HAB) species. This organism was identified as a strain very close to Bacillus subtilisby 16S rRNA gene sequencing. This bacterium, Bacillus sp. SY-1, produces very active algicidal compounds against the harmful dinoflagellate Cochlodinium polykrikoides. We isolated three algicidal compounds (MS 1056, 1070, 1084) and identified them by amino acid analyses, fast atom bombardment mass spectrometry (FAB-MS), infrared spectroscopy (IR), $^1H$, $^{13}C$, and extensive two-dimensional nuclear magnetic resonance (2D NMR) techniques including $^1H-^{15}N$ HMBC analysis. One of them, MS 1056, contains a b-amino acid residue with an alkyl side chain of $C_{15}$. MS 1056, 1070, and 1084 showed algicidal activities against C. polykrikoides with an $LC_{50}$ (6 hrs) of 2.3, 0.8, $0.6\;{\mu}g/ml$, respectively. These compounds also showed significant algicidal activities against other harmful dinoflagellates and raphidophytes. In contrast, MS 1084 showed no significant growth inhibition against various organisms coexisting with HAB species in natural environments, including bacteria, eukaryotic microalgae, and cyanobacteria, although it inhibited growth of some fungi and yeasts. These observations imply that algicidal bacterium Bacillus sp. SY-1 and its algicidal compounds could play an important role in regulating the onset and development of HABs in the natural environments.