• Rapid Communication in Photoscience
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• v.1 no.2
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• pp.54-54
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• 2012

• Journal of Biosystems Engineering
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• v.39 no.3
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• pp.215-226
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• 2014

Recently, spectroscopy has emerged as a potential tool for quality evaluation of numerous food and agricultural products because it provides information regarding both spectral distribution and image features of the sample (i.e., hyperspectral imaging). Spectroscopic techniques reveal hidden information regarding the sample and do so in a non-destructive manner. This review describes the various approaches of spectroscopic modalities, especially hyperspectroscopy and vibrational spectroscopies (i.e., Raman spectroscopy and Fourier transform near infrared spectroscopy) combined with chemometrics for the non-destructive assessment of contaminations and defects in agro-food products.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1119-1125
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• 2003

Coherent multidimensional vibrational spectroscopy is a new technique for establishing correlations between features in vibrational spectra that are caused by intra- and intermolecular interactions. These interactions cause cross-peaks between vibrational transitions that reflect the coupling. In this paper, we use Doubly Vibrationally Enhanced Infrared Spectroscopy (DOVE-IR) and DOVE-Raman processes to obtain coherent two dimensional vibrational spectra. The spectra are fitted to obtain the dephasing rates and third order susceptibilities $(χ^{(3)})$ for the nonlinear processes. We show that the DOVE $χ^{(3)}$ values are directly related to the molar absorptivities and Raman $χ^{(3)}$. We then use these relationships to obtain estimates for the $χ^{(3)}$ of the stimulated photon echo and $χ^{(5)}$ of the six wave mixing spectroscopies, respectively. We also predict the ratio of the cascaded four wave mixing signal to the six wave mixing signal.

• Rapid Communication in Photoscience
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• v.5 no.1
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• pp.8-10
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• 2016

The potential curves of OH bonds of liquid water are inhomogeneous because of a variety of interactions with other molecules and this leads to a wide distribution of vibrational frequency which hampers our understanding of the structure and dynamics of water molecules. Mixed quantum/classical (QM/CM) calculation methods are powerful theoretical techniques to help us analyze experimental data of various vibrational spectroscopies to study such inhomogeneous systems. In a type of those approaches, the interaction energy between OH bonds and other molecules is approximately represented by the interaction between the charges located at the appropriate interaction sites of water molecules. For this purpose, we re-calculated the values of charges by comparing the approximate interaction energies with quantum chemical interaction energies. We determined a set of charges at the TIP4P charge sites which better represents the quantum mechanical potential curve of OH bonds of liquid water.

• Journal of Biosystems Engineering
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• v.40 no.4
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• pp.394-408
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• 2015

Spectroscopy is an emerging technology for the quality assessment of pharmaceutical samples, from tablet manufacturing to final quality assurance. The traditional methods for the quality management of pharmaceutical tablets are time consuming and destructive, while spectroscopic techniques allow rapid analysis in a non-destructive manner. The advantage of spectroscopy is that it collects both spatial and spectral information (called hyperspectral imaging), which is useful for the chemical imaging of pharmaceutical samples. These chemical images provide both qualitative and quantitative information on tablet samples. In the pharmaceutics, spectroscopic techniques are used for a variety of applications, such as analysis of the homogeneity of powder samples as well as determination of particle size, product composition, and the concentration, uniformity, and distribution of the active pharmaceutical ingredient in solid tablets. This review paper presents an introduction to the applications of various spectroscopic techniques such as hyperspectroscopy and vibrational spectroscopies (Raman spectroscopy, FT-NIR, and IR spectroscopy) for the quality and safety assessment of pharmaceutical solid dosage forms. In addition, various chemometric techniques that are highly essential for analyzing the spectroscopic data of pharmaceutical samples are also reviewed.

• Journal of the Korean Applied Science and Technology
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• v.11 no.1
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• pp.33-37
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• 1994

In this research, (3-alkyl benzimidazalium)-TCNQ complexes were synthesized to obtain the necessary components for Langmuir-Blodgett Technique. (3- Alkyl benzimidazolium)-TCNQ complexes were prepared by the reaction of LiTCNQ with 3-alkyl benzimidazolium bromides and the products were confirmed by elemental analysis. FT-IR, UV-Visible spectroscopies. FT-IR spectra of (3-alkyl benzimidazolium) TCNQ(1:2) complexes were characterized by a broad band with a maximum at about $2900cm^{-1}$ appears and were ascribed to electronic rather than vibrational absorption.

• Bulletin of the Korean Chemical Society
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• v.9 no.6
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• pp.365-368
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• 1988

Coordination chemistry of organotin(IV) dithiocarbamate complexes has been examined in terms of far infrared and $^{119}Sn$-NMR spectroscopies. Although the Sn-S stretching vibrational bands of the complex could not be correlated with the bonding nature of the dithiocarbamate ligand, $^{119}Sn$ chemical shifts were sensitive enough to distinguish clearly the coordination number of tin, and as such the bonding mode of the dithiocarbamate ligand could be indentified to be monodentate or bidentate. Thus the $^{119}Sn$-NMR study on new cyclohexyltin(IV) dithiocarbamate complexes along with the known complexes suggests that the bonding mode of the dithiocarbamate ligands and the consequent coordination number of tin are determined mainly by the inductive effects of the organic groups attached to the tin atom.

• Bulletin of the Korean Chemical Society
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• v.28 no.2
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• pp.193-199
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• 2007

Raman and fluorescence spectroscopies were employed to study the coil effects on the intermolecular structure of a rod-coil liquid crystalline (LC) oligomer, the esterification products of ethyl 4-[4'-oxy-4-biphenylcarbonyloxy]- 4'-biphenylcarboxylate with poly(propylene)oxides (PPO) (DP=12) and poly(ethylene oxide)s (PEO) (DP=12). Three different vibrational modes (carbonyl, aromatic C-H, and aromatic C=C) obtained from the Raman experiment at variable temperature indicate that PPO and PEO coils induce the hydrogen bonding in a different manner. Further information about the micro-environment around the mesogenic unit obtained by fluorescence excitation spectra of P12-4 (LC with PPO coil) and 12-4 (LC with PEO coil) suggests that the mesogenic unit of P12-4 is quite different from that of 12-4 in intermolecular structure. This study supports the results obtained only from Raman spectroscopy, providing more accurate information about the intermolecular structural changes of liquid crystalline polymers at a molecular level during the phase transitions.