Haroon Ur Rashid

Novel α, β-Unsaturated Sophoridinic Derivatives: Design, Synthesis, Molecular Docking and Anti-Cancer Activities

Using sophoridine 1 and chalcone 3 as the lead compounds, a series of novel α, β-unsaturated sophoridinic derivatives were designed, synthesized, and evaluated for their in vitro cytotoxicity. Structure-activity relationship (SAR) analysis indicated that introduction of α, β-unsaturated ketone moiety and heterocyclic group might significantly enhance anticancer activity. Among the compounds, 2f and 2m exhibited potential effects against HepG-2 and CNE-2 human cancer cell lines. Furthermore, molecular docking studies were performed to understand possible docking sites of the molecules on the target proteins and the mode of binding. This work provides a theoretical basis for structural optimizations and exploring anticancer pathways of this kind of compound.

Study of heavy metals in some environmental samples.

Fuels like coal and rubber are frequently used for brick burning. However, both coal and rubber contain heavy metals. These heavy metals may elutriate in the wake of fly ash or may adsorb or absorb in the product. The present work deals with the analysis of heavy metals in some samples collected from brick burning industries located in the vicinity of a metropolitan city, Peshawar, Pakistan. Samples from raw clay, product, chimney scale and fossil fuel & rubber were collected and leached with acid mixture. The leachates were concentrated and analyzed by atomic absorption spectrophotometer for the determination of chro mium (Cr), lead (Pb), cadmium (Cd) and anti mony (Sb). It was observed that heavy metals are present in clay, brick and chimney scale. However, significant amount of these metals was observed in chimney scale. It is inferred that such emanations laden with heavy metals are accompanying the stack gases which are being dumped in to the environment. In order to avoid environmental problems, strict environmental regulations shall be enforced and a constant check on these emanations to the environment must be made to ensure clean air act.

FACILE SYNTHESIS, CHARACTERIZATION AND DFT CALCULATIONS OF 2-ACETYL PYRIDINE DERIVATIVES

Haroon ur Rashida, Adnan Shahzadb,d, Zarif Gulc, Ezzat Khanc,*, Muhammad Naveed Umarc,#, Muhammad Raza Shahd, Awal Noore and Sher Wali Khanf Department of Chemistry, Sarhad University of Science & Information Technology, Peshawar, Khyber Pakhtunkhwa, Pakistan Institute of Chemical Science, University of Swat, Swat, Khyber Pakhtunkhwa, Pakistan Department of Chemistry, University of Malakand, Chakdara, Dir (Lower), Khyber Pakhtunkhwa, Pakistan HEJ Research Institute, Sindh University, Karachi, Pakistan. Anorganishe Chemie II, Universität Bayreuth, D-95440 Bayreuth, Germany Department of Chemistry, Shaheed Benazir Bhutto University, Shringel, Upper Dir, Khyber Paktunkhwa, Pakistan

Inclusion Complexes of a New Family of Non-Ionic Amphiphilic Dendrocalix[4]arene and Poorly Water-Soluble Drugs Naproxen and Ibuprofen

The inclusion complexes of a new family of nonionic amphiphilic calix[4]arenes with the anti-inflammatory hydrophobic drugs naproxen (NAP) and ibuprofen (IBP) were investigated. The effects of the alkyl chain’s length and the inner core of calix[4]arenes on the interaction of the two drugs with the calix[4]arenes were explored. The inclusion complexes of Amphiphiles 1a–c with NAP and IBP increased the solubility of these drugs in aqueous media. The interaction of 1a–c with the drugs in aqueous media was investigated through fluorescence, molecular modeling, and 1H-NMR analysis. TEM studies further supported the formation of inclusion complexes. The length of lipophilic alkyl chains and the intrinsic cyclic nature of cailx[4]arene derivatives 1a–c were found to have a significant impact on the solubility of NAP and IBP in pure water.

Tuning of Activated Carbon for Solvent-Free Oxidation of Cyclohexane

Activated carbon (AC) was prepared from carbonization of phosphoric acid soaked peanut shell at 380°C under inert atmosphere followed by activation with hydrogen peroxide. The AC was characterized by SEM, EDX, FTIR, TGA, and BET surface area and pore size analyzer. The potential of AC as a catalyst for solvent-free oxidation of cyclohexane to cyclohexanol and cyclohexanone (the mixture is known as KA oil) in the presence of molecular oxygen at moderate temperature was investigated in a self-designed double-walled three-necked batch reactor. The effect of different reaction parameters/additive was optimized. The maximum productivity value (2.14 mmolg−1 h−1, without base, and 4.85 mmolg−1 h−1, with 0.2 mmol NaOH) of the desired product was achieved under optimal reaction parameters: vol 12.5 mL, cat 0.4 g, time 14 h, oxygen flow 40 mL/min (pO2 760 Torr), stirring 1100 rpm, and temp 75°C. The AC shows recyclability for multiple runs without any significant loss in activity. Thus, the AC can be an efficient catalyst, due to low cost, ease of synthesis, easy recovery, nonleaching, and recyclability for multiple uses for the solvent-free oxidation of cyclohexane.

Transport of Zn (II) by TDDA-Polypropylene Supported Liquid Membranes and Recovery from Waste Discharge Liquor of Galvanizing Plant of Zn (II)

The facilitated passage of Zn (II) across flat sheet supported liquid membrane saturated with TDDA (tri-n-dodecylamine) in xylene membrane phase has been investigated. The effect of acid and metal ion concentration in the feed solution, the carrier concentration in membrane phase, stripping agent concentration in stripping phase, and coions on the extraction of Zn (II) was investigated. The stoichiometry of the extracted species, that is, complex, was investigated on slope analysis method and it was found that the complex (LH)2·Zn(Cl2) is responsible for transport of Zn (II). A mathematical model was developed for transport of Zn (II), and the predicted results strongly agree with experimental ones. The mechanism of transport was determined by coupled coion transport mechanism with H+ and Cl− coupled ions. The optimized SLM was effectively used for elimination of Zn (II) from waste discharge liquor of galvanizing plant of Zn (II).

SOLVENT DEGRADATION IN CO2 CAPTURE PROCESS FROM POWER PLANT FLUE GAS

The chemical absorption of CO2 by monoethanolamine for CO2 separation from other gases produced by burning fossil fuels in power plants was considered. The factors that influence the process of decomposition of monoethanolamine were studied. It was shown that addition of piperazine to the system reduces the decomposition rate of monoethanolamine during CO2 absorption from the flue gases, which are formed in an oxidizing atmosphere.