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      • KCI등재

        Vibrational Spectroscopic Estimation of Semivolatile Organic Compound Evaporation From Glass Surfaces

        Nguyễn Hoàng Ly,Cheolmin Lee,Soonmin Jang,Jung Il Lee,주상우 대한화학회 2020 Bulletin of the Korean Chemical Society Vol.41 No.12

        The evaporation of the semivolatile organic compound (SVOC) benzothiazole (BZT) from glass surfaces has been estimated by means of surface-enhanced Raman scattering (SERS) and gas-phase Fourier-transform infrared (FTIR) spectroscopy. The FTIR spectrum in the gas cell indicates the presence of BZT in the air. The density functional theory (DFT) of the vibrational spectra of BZT was tested using the B3LYP/6-311G++(d,p) basis sets with potential energy distribution (PED) analysis. The BZT thin film could be investigated using SERS by dropping a gold nanoparticle (AuNP) solution on glass surfaces. The intensified modes in the SERS spectra suggest the plausible binding modes of BZT via its N11 atom on AuNPs. A decrease in the SERS spectra indicate a substantial evaporation of BZT. The concentration of BZT in the air could be estimated as low as ~0.8% according to the infrared spectra after 24?h.

      • KCI등재

        On-Site Detection for Hazardous Materials in Chemical Accidents

        Nguyễn Hoàng Ly,김호현,주상우 대한화학회 2021 Bulletin of the Korean Chemical Society Vol.42 No.1

        Chemical accidents, such as fire, explosion, and leakages, not only cause damage to humans but also have a harmful impact on the environment. In modern industrialization period, researchers have been attracted by the elaboration of novel detection platforms that have been widely adopted for monitoring and the early warning of the risk of hazardous chemicals including hydrogen fluoride, hydrogen chloride, nitric acid, ammonia, hydrogen peroxide, chlorine gas, formaldehyde, aromatic compounds such as benzene-toluene-xylene, and heavy metals. This review explores novel sensor platforms based on novel materials including plasmonic metals, transition metal oxides, and composites. Due to the unique optical, spectroscopic, electrical, and physicochemical properties of materials, the development of functional materials-based sensors significantly augments the current outlook on reducing the risk of hazardous chemical accidents to ensure security for humans and the environment.

      • KCI등재

        Detection of benzalkonium chloride on glass surfaces using silver nanoparticles

        Nguyễn Hoàng Ly,Phuong-Dong Nguyen,Sang Jun Son,이철민,Soonmin Jang,주상우,Kyungjoo Kim,Jiseon Choi,Ye-eun Joo,Jung Il Lee 대한화학회 2022 Bulletin of the Korean Chemical Society Vol.43 No.2

        Raman reporter-based surface-enhanced Raman scattering (SERS) has been used to investigate the detection of one member of a class of the cationic surfactant quaternary ammonium compounds, alkyl dimethyl benzyl ammonium chloride, also known as benzalkonium chloride (BAC). For this study, SERS was performed using silver nanoparticles (AgNPs). Density functional theory (DFT) of BAC on Ag6 clusters was introduced to estimate binding at the level of the B3LYP/LANL2DZ basis sets. As the chain length increased from n = 8 to 18, the binding energies were expected to increase by 2.1 kcal/mol. Methylene blue (MB) Raman reporter molecules were subsequently treated on BAC thin-film-covered glass surfaces. Atomic force microscopy (AFM) images were used to determine the coverage of BAC on the glass, and field-emission electron microscope (FE-SEM) images revealed the surface morphologies of the SERS substrates. A standard calibration curve was prepared to quantify BAC within a concentration range of 0.0036805 to 36?805?ppm (r2?≥?0.99), according to the BAC-correlated SERS intensities of MB Raman peaks at ~1620?cm?1 adsorbed on AgNPs. A molecular dynamics (MD) simulation supported strong adsorption of BAC on glass surfaces.

      • SCISCIESCOPUS

        Raman spectroscopy of pH-induced release of zidovudine from lactobionic acid-conjugated PEGylated gold colloids

        Ly, Nguy,n Hoà,ng,Nguyen, Thanh Danh,Joo, Sang-Woo Elsevier 2018 Colloids and Surfaces B Vol.171 No.-

        <P><B>Abstract</B></P> <P>Zidovudine (AZT) adsorbed on colloidal gold nanoparticles (AuNPs) undergoes pH-induced conformational changes according to spectral changes in surface-enhanced Raman scattering (SERS). In acidic pH values conditions, AZT assumes the C<SUB>(2ʹ)</SUB>-endo conformer, which binds more weakly to AuNPs than under neutral and alkaline conditions. In this study, density functional theory (DFT) calculations were performed; these calculations also supported the conformation-dependent binding energies. A lactobionic acid-conjugated PEGylated (LA-PEG-SH; molecular weight: 3400) unit was attached to AuNPs to target the asialoglycoprotein receptors overexpressed in hepatocarcinoma cells of Huh7 and SNU-354. The loading efficiency values were measured to be ∼44–49% and ∼66–68% at pH values of 7 and 10, respectively. At an acidic pH of 4.5, they were estimated to be only ∼35–38%. pH-dependent spectral changes were observed for the asymmetric stretching modes of the azide (NNN) bands at 2183 cm<SUP>−1</SUP> (in acidic pH) and at 2129 cm<SUP>−1</SUP> (in basic pH). Cell viability analysis indicated that the LA-PEG-capped, AZT-coated AuNPs specifically inhibited the growth of the targeted hepatocarcinoma cells with better cancer cell killing efficiency than was observed with the LA-PEG-capped AuNPs without AZT.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Zidovudine bound to colloidal gold nanoparticles undergoes pH-induced conformational changes. </LI> <LI> At acidic pH values, zidovudine assumes the C<SUB>(2ʹ)</SUB>-endo conformer, which binds weakly to gold. </LI> <LI> Cytotoxicity analysis indicated that the complex could inhibit the growth of the targeted hepatocarcinoma cells. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>Conformational change-induced drug release of zidovudine from gold nanoparticles in acidic pH conditions was studied by Raman spectroscopy and density functional theory.</P> <P>[DISPLAY OMISSION]</P>

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