Tuning the constrained photophysics of a pyrazoline dye 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline inside the cyclodextrin nanocavities: A detailed insight via experimental and theoretical approach

Beena Varghese, Saleh N. Al-Busafi, Fakhr Eldin O. Suliman*, Salma M.Z. Al-Kindy

*المؤلف المقابل لهذا العمل

نتاج البحث: المساهمة في مجلةمقالمراجعة النظراء

9 اقتباسات (Scopus)

ملخص

The modulation in the photophysics of a pyrazoline dye 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline (NPCP), when it drifts from bulk water into the nanocages of aqueous cyclodextrin solutions was investigated. The intramolecular charge transfer (ICT) fluorescence band intensity was found to increase with a blue shift in the presence of cyclodextrins. The results from 1H NMR and 1H[sbnd]H COSY NMR spectral analysis clearly points out the position of pyrazoline ring inside the cavity and its role in complexation process. A quantitative assessment of the emission intensity data on Benesi-Hildebrand (B-H) equation along with ESI-MS spectra reveals the probable stoichiometry of NPCP-CD complexes. Molecular docking and molecular dynamics studies were conducted for β/γ cyclodextrin associated inclusion complexes of NPCP. The results obtained by computational studies are in good relation with the data obtained through experimental methods and both ascertain the encapsulation of NPCP into cyclodextrins.

اللغة الأصليةEnglish
الصفحات (من إلى)383-389
عدد الصفحات7
دوريةSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
مستوى الصوت173
المعرِّفات الرقمية للأشياء
حالة النشرPublished - فبراير 15 2017

ASJC Scopus subject areas

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  • ???subjectarea.asjc.3100.3107???
  • ???subjectarea.asjc.3100.3105???
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بصمة

أدرس بدقة موضوعات البحث “Tuning the constrained photophysics of a pyrazoline dye 3-naphthyl-1-phenyl-5-(4-carboxyphenyl)-2-pyrazoline inside the cyclodextrin nanocavities: A detailed insight via experimental and theoretical approach'. فهما يشكلان معًا بصمة فريدة.

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