Thiazole has been a key scaffold in antidiabetic drugs. In quest of new and more effective drugs a simple, efficient, high yielding (67-79 %) and convenient synthesis of arylidenehydrazinyl-4-methoxyphenyl)thiazoles is accomplished over two steps. The synthesis involved the condensation of aryl substituted thiosemicarbazones and 2-bromo-4-methoxyacetophenone in absolute ethanol. The structures of the resulting thiazoles are in accord with their UV/VIS, FT-IR, 1 H-, 13 C-NMR and HRMS data. All compounds were evaluated for alpha(α)-amylase inhibition potential, antiglycation, antioxidant abilities and biocompatibility. The compounds library identified 2-(2-(3,4-dichlorobenzylidene)hydrazinyl)-4-(4-methoxyphenyl)thiazole as a lead molecule against α-amylase inhibition with an IC 50 of 5.75 � 0.02 μM. α-Amylase inhibition is also supported by molecular docking studies against α-amylase. All the obtained thiazoles also showed promising antiglycation activity with 4-(4methoxyphenyl)-2-{2-[2-(trifluoromethyl)benzylidene]hydrazinyl}thiazole exhibiting the best inhibition (IC 50 = 0.383 � 0.001 mg/mL) compared to control. The tested compounds are also biocompatible at the concentration used i. e., 10 μM.
This study investigates co-movement among macroeconomic variables and capital flight in Pakistan. The empirical estimation is based on time series data for a period of 30 years from 1983 to 2013. We collect data from World Development Indicator (WDI). We apply Auto Regressive Distributive Lag (ARDL) through Bounds Testing (BT) to estimate the long run relationship. In order to estimate short run dynamic, this study employs Error Correction Model (ECM). This study finds that the presence of a long-term association between capital flight and its determinants. Contribution/Originality: This study contributes to identify the relationship between macroeconomic variables and capital flight in Pakistan
A novel series of
fluorophenyl-based thiazoles was synthesized
following the Hanztsch method. All of the compounds were initially
verified with physical parameters (color, melting point, retardation
factor (R
f)), which were further confirmed
by several spectroscopic methods, including ultraviolet–visible
(UV–visible), Fourier-transform infrared (FTIR), 1H, 13C, 19F NMR, and high-resolution mass spectrometry
(HRMS). The binding interactions of all compounds were studied using
a molecular docking simulation approach. Furthermore, each compound
was evaluated for its alpha(α)-amylase, antiglycation, and antioxidant
potentials. The biocompatibility of all compounds was checked with
an in vitro hemolytic assay. All synthesized scaffolds
were found biocompatible with minimal lysis of human erythrocytes
as compared to the standard Triton X-100. Among the tested compounds,
the analogue 3h (IC50 = 5.14 ± 0.03 μM)
was found to be a highly potent candidate against α-amylase
as compared to the standard (acarbose, IC50 = 5.55 ±
0.06 μM). The compounds 3d, 3f, 3i, and 3k exhibited excellent antiglycation
inhibition potential with their IC50 values far less than
the standard amino guanidine (IC50 = 0.403 ± 0.001
mg/mL). The antidiabetic potential was further supported by docking
studies. Docking studies revealed that all synthesized compounds exhibited
various interactions along enzyme active sites (pi–pi, H-bonding,
van der Waals) with varied binding energies.
Hydrazone
compounds with remarkable nonlinear optical (NLO) properties
were found with vast applications due to their cost-effective synthesis
and greater stability. Therefore, we synthesized hydrazone scaffolds
(TCAH1–TCAH8) by condensation reaction, and their
structural confirmation was accomplished with spectroscopic methods
(1H-, 13C-NMR, and HRMS). Quantum chemical calculations
were also performed at B3PW91/6-311G(d,p) functional of DFT to explore
electronic, structural, and chemical properties. To understand the
NLO responses of afore-said chromophores, various kinds of analyses
such as natural bonding orbitals (NBOs), frontier molecular orbitals
(FMOs), UV–vis analysis, and density of states (DOS) were performed.
Findings showed that the HOMO–LUMO energy gap in TCAH8 (3.595 eV) was found to be lower than the TCAH1–TCAH7 (4.123–3.932 eV) with a large red shift which leads to a
substantial NLO response. Furthermore, strong intramolecular interactions
showed the highest stabilization energy (24.1 kcal mol–1) for TCAH8 in the NBO transitions, combined with the
least binding energy. The significant NLO response of TCAH4 was explored with ⟨α⟩, βtot, and ⟨γ⟩ values as 5.157 × 10–23, and 2.185 × 10–29, and 2.753 × 10–34 esu, respectively, among the entitled compounds.
The recent findings may inspire scientists to develop extremely effective
NLO materials for forthcoming hi-tech applications.
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