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Home > Synthesis and Characterization of Heteroleptic Copper Complexes: As Prospective Antimicrobial, Cytotoxic and Antioxidative Agents

Synthesis and Characterization of Heteroleptic Copper Complexes: As Prospective Antimicrobial, Cytotoxic and Antioxidative Agents

Thesis Info

Access Option

External Link

Author

Khan, Ishtiaq

Program

PhD

Institute

Quaid-I-Azam University

City

Islamabad

Province

Islamabad.

Country

Pakistan

Thesis Completing Year

2019

Thesis Completion Status

Completed

Subject

Inorganic/Analytical Chemistry

Language

English

Link

http://prr.hec.gov.pk/jspui/bitstream/123456789/10665/1/Ishtiaq%20Khan_Chem_2019_QAU_PRR.pdf

Added

2021-02-17 19:49:13

Modified

2024-03-24 20:25:49

ARI ID

1676727447305

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Copper(I) halide complexes with N,Nʹ-disubstituted thioureas and triphenylphosphine have been synthesized by the reaction of halotris(triphenylphosphine)copper(I) and respective thioureas (121) at 60 °C. The newly synthesized complexes were fully characterized by various instrumental techniques like FT-IR, multinuclear (1H, 13C, 19F, 31P) NMR spectroscopy while elemental analyses were carried out using a CHNS analyzer and atomic absorption spectroscopy. Some of the copper(I)-N,Nʹ-disubstituted thiourea complexes (A3, A7, A9, A16, B1, B3, B4, B6, B13, B14, B18, B19, C1, C3, C8, C9, C10, C12, C14, and C15) were analyzed via single crystal XRD for structural elucidation. From single crystal XRD it has been identified that copper(I) adopted distorted tetrahedral geometry in coordination with sulphur (substituted thiourea), two phosphorus (triphenylphosphine) and halogen. Most of the complexes were stabilized by intramolecular hydrogen bonding. The synthesized complexes were screened for cytotoxicity (Brine shrimp), antibacterial, antifungal, antileishmanial, antioxidant and DNA binding studies. In Brine shrimp lethality assay complexes B17 and B11 were the most active with LC50 of 19.6 µg mL–1 and 20.1 µg mL–1, respectively. In case of antibacterial activities, in the chlorinated series (A), the most active complex against E. Aerogens was A15, against B. Bronchiseptaca it was A12 and against S. Typhimurium were A9 and A3 with ZOI value comparable to that of the reference commercial drug. Similarly, in the iodinated series (C), the most active complex against B. Bronchiseptaca was C13 and against S. Typhimurium it was C9 with ZOI values of 20±1.46 and 19±1.27 mm, respectively. Against A. fumagatus(Fungi) the most active complex was B14 with a ZOI value of 19.5±1.46 mm which was comparable to that of the reference value. In Leishmanicidal activity all the test samples were active against L. tropica with LC50 values in the range of 20 to 50 µg mL–1. In the assay of DPPH Free-Radical Scavenging, all the test samples were significantly active toward DPPH and the antioxidant activity of the complexes was found within the range of 54.96-62.67%. From UV-vis spectroscopy and molecular docking studies it has also been observed that copper(I) tetrahedral complexes interact strongly with the DNA via a groove binding mode. From molecular docking the highest value of Kb was found to be 1.08×105 for A12 which is attributed to the intra-strand cross linking of benzo[d]thiazol-2-yl of thiourea in the complex with DA17 and DT6 base pairs of DNA in addition to groove binding interactions.
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دولت و مال و زر کا کیا کرنا

دولت و مال و زر کا کیا کرنا
ہم فقیروں نے گھر کا کیا کرنا

عمر کی قید جس پرندے کو
اُس نے پھر بال و پر کا کیا کرنا

ہم کو تم بے خبر ہی رہنے دو
ہم نے پا کر خبر کا کیا کرنا

جب مرض لا دوا ہی ہو جائے
پھر کسی چارہ گر کا کیا کرنا

جو درِ یار پہ نہ جھکتے ہوں
اُس جبیں اور سر کا کیا کرنا

جس سے تائبؔ نہ فیض حاصل ہو
ایسی چوکھٹ کا، در کا، کیا کرنا

تفسیر القرآن از سر سید احمد خان کا تحقیقی و تنقیدی جائزہ

Sir Syed Aḥmed Khān belonged to a famous family of the subcontinent during the late Mughal and early British colonial period. He was famous for his close relations with the colonial government. He served many years in the judiciary. In recognition of his services, he was conferred upon with various titles such as Sir, The Imperial Advisor, etc. He is the founder of the educational campaign which was later known as the Aligarh movement. He was worried about the future of Muslims in India. This worry forced him to produce various literary and Islamic books to uplift the political, cultural, educational and social status of the Indian Muslims. One of his famous contribution to Islamic literature of Quranic exegeses is his Tafsīr al-Qur’ān. His tafsīr is influenced by western thoughts. He, instead of following the traditional methodology of Quranic exegeses, tried to understand the Quranic verses rationally. This led him to deviate from many established concepts of Islamic doctrines. He went against the Muslims’ affirmed beliefs in his exegesis. He mistrusted some of the basics of Islamic thoughts and tried his best to make new parameters of writing & reading of the Quranic exegesis on human logics. In addition, some of his views show certain relevance to the Mu'tazilites school of thought. The aim of this paper is to present an analytical and a critical evaluation of the exegetical opinions of Sir Syed Aḥmed Khān, particularly on the issues where he deviated from the mainstream Islamic thoughts in his exegesis, Tafsīr al-Qur’ān.

An Efficient Implementation of Discontinuous Galerkin Method on Commodity Parallel Systems

Computational Fluid Dynamics (CFD) is a useful tool that enables highly cost-effective numerical solutions for the problems related to fluid flow phenomena, which in turn results in the state-of-the-art product designs in a variety of engineering sectors. CFD has made remarkable progress due to continuous growth in computing capabilities. Further increase in the computing power urges the computational scientists for even more detailed and in-depth analyses. Better understanding of the flow phenomena, however, requires higher order/resolution solutions, which in turn requires more and more computing power due to increase in the number of degrees of freedom. The present thesis is to contribute in the endeavor of addressing these two challenges, i.e., to provide higher order numerical solutions in fluid mechanics and to fulfill the demand of computing power. The first objective is addressed by presenting a high order flow solver for compressible fluid flow problems and the second objective is addressed by developing a high performance parallel implementation of the flow solver. The present work is aimed at developing a scalable and efficient parallel program based on a high order discontinuous Galerkin (DG) method with Taylor series basis for the compressible Euler and Navier-Stokes equations on unstructured meshes. The numeri- cal scheme is capable of efficiently simulating the physics of the flow problems consid- ered, including subsonic and transonic compressible inviscid flows around two well known benchmark airfoils. The parallel code employs the DG method for the space discretiza- tion of the governing equations to obtain a semi-discrete form and various explicit and implicit schemes for time integration of this semi-discrete form. The explicit time inte- gration scheme is based on three-stage third-order Total Variation Diminishing (TVD) Runge-Kutta (RK) method. The implicit time integration scheme for the Euler equa- tions is based on Backward Euler scheme. The resulting system of algebraic equations iis solved using a variety of so-called matrix-free parallel linear solvers, including Symmet- ric Gauss-Seidel (SGS) method, Lower-Upper Symmetric Gauss-Seidel (LUSGS) method and Generalized Minimum Residual (GMRES) method preconditioned with LUSGS (i.e., GMRES+LUSGS). In this work, a parallel p-multigrid solver for the Euler equations is also presented. Unlike the other p-multigrid solvers where the same time integration scheme is used on all the approximation levels, the present two-level p-multigrid solver uses the Runge-Kutta scheme as the iterative smoother on the higher level approximation, and the matrix-free GMRES+LUSGS method as the iterative smoother on the lower level approximation in an attempt to significantly reduce the computer memory requirements. In this thesis, inviscid flow computations are accurate up to the fourth order of polynomial approximation whereas the viscous flow computations are accurate up to the third order of polynomial approximation. The parallel DG flow solver is based on distributed memory programming model, making use of the message passing approach for communications among the parallel processes. Two kinds of so called commodity parallel systems are used as the platform for per- forming parallel computations. The first kind of parallel systems are the clusters in which the worker nodes are interconnected using some networking technology. The other kind of parallel systems are the multicore SMP machines. The parallelization is based on Single Program Multiple Data (SPMD) parallel programming model that has been em- ployed by making use of a computational domain partitioning technique and the de-facto industry standard Message Passing Interface (MPI) library for inter-process communica- tions. Favorable parallelization characteristics of the discontinuous Galerkin method have also been exploited by hiding the communications behind the computations. The parallel performance of the developed code, in terms of scaling of the speedup with respect to the number of processes, is demonstrated.