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The inhibition efficiency and adsorption affinity were investigated for two novel compounds, namely: 6-methoxy-2-naphthyl-[2, 2’-bithiophene]-5-carboxamidine hydrochloride salt (MA-1440) and 5'-(4-chlorophenyl)-2, 2’-bifuran-5-carboxamidine hydrochloride salt (MA-1456). The inhibition study was conducted on carbon steel surface in 1.0 M HCl with different inhibitor doses and different temperature levels, to investigate the optimum dose and preferable temperature. The performed investigation included chemical, electrochemical, instrumental, and quantum computation techniques. A chemical technique was accomplished by using weight-loss measurements. Different factors were studied using weight-loss measurements in order to reach the maximum inhibition efficiency. The adsorption study revealed that the examined inhibitors obey the Langmuir adsorption isotherm and are chemically adsorbed on the steel surface. The electrochemical measurements were accomplished through the electrochemical impedance (EIS) and potentiodynamic polarization (PDP) techniques. Based on the electrochemical measurements, the examined compounds were categorized as mixed inhibitors. The instrumental examination using different techniques namely: scanning electron microscope (SEM), energy dispersive X-ray (EDX), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) confirmed that the considered inhibitors are excellently adsorbed over the carbon steel surface. The extent of the adsorption affinity of these compounds on the carbon steel surface was studied theoretically using quantum computations and Monte Carlo simulation. The theoretical investigation results of quantum chemistry were validated with those obtained by chemical and electrochemical methodologies. All investigations prove that, the tested compounds were adsorbed chemically on the steel surface and achieved maximum inhibition efficiency of, 94.69% and 90.85% for M-1440 and MA-1456, respectively, at the optimum concentration 3010-6 mol. L-1 and temperature 328 K.

The supramolecular complexes (SC) of the type [Me2SnCl2L], L = 2,2′-bipyridine (2,2′-bpy), SC 1, 4,4′-bipyridine (4,4′-bpy), SC 2, and (1,10-phenanthroline), SC 3, have been synthesized and structurally characterized by elemental analysis, FT-IR, UV–Vis, 1H and 13C NMR spectra and X-ray single crystal. The X-ray data of SC 1 and SC 2 exhibited 1:1 stoichiometry for the dimethyltin dichloride: bipodal ligand. The structure of SC 1 extends along the a-axis in a parallel way forming 1D-chains via H-bonds while they further propagate creating 2D-network via extensive H-bonds. The extending structure of the SC 2 along the a-axis consists of parallel 1D-chains via H-bonds creating the A … A … A fashion. Molecular modeling studies of SC 3 indicated that Sn(IV) center acquires N2C2Cl2 octahedral geometry. The tested compounds SC 1, SC 2 and SC 3 were found to inhibit cell proliferation and induce high percent of apoptotic towards human breast adenocarcinoma (MCF7), liver carcinoma (HEPG2), colorectal carcinoma (HCT-116), cervical carcinoma (HELA) and prostate cancer (PC3) cell lines in vitro model within short times of treatment. The anti-Oxidant and anti-hemolytic assays employ that SC 1 exhibits moderate antioxidant activity as well as the most potent anti-hemolysis activities compared with ascorbic acid. The antimicrobial assessment has been also studied by disc diffusion method.

The supramolecular polymer of the type [Me2SnCl2L], 1, L = 2,2'-bipyridine (2,2'-bpy), has been synthesized by the reaction of dimethyltin (IV) dichloride and 5-nitroisophthallic acid in the presence of sodium ethoxide and 2,2'-bpy. The compound was structurally characterized by elemental analysis, FT-IR spectra and X-ray single crystal. The x-ray data exhibited 1:1 stoichiometry for the dimethyltin dichloride: 2,2'-bpy ligands. The structure of 1 extends along the a-axis in a parallel way forming 1D-chains via H-bonds while they further propagate creating 2D- network via extensive H-bonds. The biological activity against some fungi and bacterial microorganisms has been also studied.

Long chain aliphatic diamine, 1,7-diaminoheptane (DAHP), was selected as template for creation of novel nano-scaled 3D-guest-host- supramolecular coordination polymer (SCP); ∞3[(Cu3(CN)3)2.(DAHP)], 1. Crystal structure of SCP 1 consists of new bi-fold [Cu3(CN)3]2 fragments containing tetrahedral copper(I) atoms which are arranged in unique way to create 3D-structure exhibiting wide cavities enable to encapsulate the long chain DAHP as guest molecule. The topology of 1 had been elucidated by spectroscopic methods, elemental analysis, transmission electron microscopy (TEM) and scanning electron microscope (SEM). The nanosized SCP1 exhibits excellent catalytic activity towards mineralization of methyl violet (MV), methylene blue (MB) and indigo carmine (IC) dyes using H2O2 as oxidant within very short times. Scavenger techniques and disodium terephthalate (NaTA) as selective photoluminescence prob of hydroxyl radical had been utilized to elucidate mineralization mechanism. Nano-SCP 1 exhibits sigmoidal dose-response inhibition of cells viability giving low IC50 values for the tested cell as well as was examined for rate erythrocyte hemolysis and antioxidant activity utilizing ABTS assay. Also, SCP1 exhibits good antimicrobial activity due to the low MIC values keeping it a promising drug candidate for the treatment of the tested bacterial and fungal infections.

{[Co(CN)6(Me3Sn)3(H2O)].(qox)} host-guest supramolecular coordination polymer, SCP1, is synthesized by adding K3[Co(CN)6], quinoxaline (qox) and Me3SnCl using the self-assembly method at ambient conditions. X-ray diffraction (XRD) of single crystal of SCP1 indicates that the structure consists of [Co(CN)6(H2O)] building blocks which construct the 3D-host network connected by the Me3Sn+ cations and accommodate qox guest molecule. The nanosized particles of {[Co (CN)6(Me3Sn)3(H2O)].(qox)}; SCP1∖ are obtained by sono-chemical method while the morphology was examined by powder X-ray diffraction (PXRD) and transition electron microscopy (TEM). The fluorescence property of SCP1∖ has been examined which exhibits high luminescent selective sensory towards nitrobenzene, Hg+1, Fe3+ and Pb2+ ions. SCP1 and SCP1∖ are tested as heterogeneous catalysts for degradation of phenol under UV- and ultrasonic radiation. The catalysts cause efficient degradation of phenol which was enhanced by radiation. The mechanism of degradation was suggested and discussed in detail.