Browsing by Subject "Volatile organic compound"

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Open Access
Molecular entrapment of volatile organic compounds (VOCs) by electrospun cyclodextrin nanofibers
(Elsevier, 2016-02) Celebioglu A.; Sen, H. S.; Durgun, Engin; Uyar, Tamer
In this paper, we reported the molecular entrapment performance of hydroxypropyl-beta-cyclodextrin (HPβCD) and hydroxypropyl-gamma-cyclodextrin (HPγCD) electrospun nanofibers (NF) for two common volatile organic compounds (VOCs); aniline and benzene. The encapsulation efficiency of CD samples were investigated depending on the various factors such as; CD form (NF and powder), electrospinning solvent (DMF and water), CD (HPβCD and HPγCD) and VOCs (aniline and benzene) types. BET analysis indicated that, electrospun CD NF have higher surface area compared to their powder form. In addition DMA measurement provided information about the mechanical properties of CD NF. The encapsulation capability of CD NF and CD powder was investigated by 1H-NMR and HPLC techniques. The observed results suggested that, CD NF can entrap higher amount of VOCs from surroundings compared to their powder forms. Besides, molecular entrapment efficiency of CD NF also depends on CD, solvent and VOCs types. The inclusion complexation between CD and VOCs was determined by using TGA technique, from the higher decomposition temperature of VOCs. Finally, our results were fortified by the modeling studies which indicated the complexation efficiency variations between CD and VOC types. Here, the inclusion complexation ability of CD molecules was combined with very high surface area and versatile features of CD NF. So these findings revealed that, electrospun CD NF can serve as useful filtering material for air filtration purposes due to their molecular entrapment capability of VOCs.
Open Access
Nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer: DFT approach
(Sami Publishing Company, 2021-03) Mirzaei, M.; Gülseren, Oğuz; Rafienia, M.; Zare, A.
Density functional theory (DFT) calculations were performed to investigate a nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer. To this aim, an oxidized model of C20 fullerene (OC) was chosen as the surface for adsorbing each of five remarkable volatile organic compounds (VOC) biomarkers including hydrogen cyanide, methanol, methyl cyanide, isoprene, and 1-propanol designated by B1-B5. Geometries of the models were first optimized to achieve the minimum energy structures to be involved in further optimization of B@OC bi-molecular complexes. The relaxation of B counterparts at the surface of OC provided insightful information for capability of the investigated system for possible diagnosis of such biomarkers. In this case, B1 was placed at the highest rank of adsorption to make the strongest B1@OC complex among others whereas the weakest complex was seen for B4@OC complex. The achievement was very much important for differential detection of each of VOC biomarkers by the investigated OC nanocarbon. Moreover, the recorded infrared spectra indicated that the complexes could be very well recognized in complex forms and also among other complexes. As a final remark, such proposed nanocarbon-assisted biosensor could work for diagnosis of remarkable VOC biomarkers of lung cancer.