Dr. Mohamed M. El Nady,
Professor, Department of Organic Geochemistry and Petroleum Geology, Exploration, Egyptian Petroleum Research Institute, Egypt.

ISBN 978-93-5547-766-8 (Print)
ISBN 978-93-5547-767-5 (eBook)
DOI: 10.9734/bpi/ctcb/v4

This book covers key areas of Chemistry and Biochemistry.  The contributions by the authors include Metabolism, fasting blood glucose, cholesterol, inflammation, oxidative stress, hydrogen water, Carbofuran, dissipation, Perfumery alcohols, inorganic oxidant, kinetics, transition metal ion catalysts, catalytic efficiency, Irwing-William’s stability , metal complexes, reaction mechanism, thermodynamic activation parameters,  pyrrole, oxone, microwave irradiation, N-methylaniline, 1-Bromo-3-methyl-2-butanone, orixiarine, Graphitic carbon nitride , crystal and electronic structures, band structure regulation, photoelectronic devices, tetrahydroisoquinoline derivatives, antitumour activity, Purine derivatives, anticancer activity, protein kinase inhibitors, cellular apoptosis, molecular docking, lipase, thermo-tolerance, pH stability, protein characterization,  corrosion,  Electrochemistry, polarization, zinc electrode, Pyrimidine, microwave, uranyl nitrate, antioxidant properties , and antibacterial activity. This book contains various materials suitable for students, researchers and academicians in the field of Chemistry and Biochemistry.

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The Influence of High-Concentration Hydrogen-Rich Water for 24-Week on Body Composition, Blood Lipid Profiles, and Inflammatory Biomarkers in Men and Women with Metabolic Syndrome: A Randomized Controlled Trial

Tyler W. Le Baron, Ram B. Singh, Ghizal Fatima, Kumar Kartikey, Jai P. Sharma, Sergej M. Ostojic , Anna Gvozdjakova, Branislav Kura , Mami Noda, Viliam Mojto , Mohammad Arif Niaz , Jan Slezak

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 1-16

Metabolic syndrome has become a worldwide pandemic. It is associated with dyslipidemia, hyperglycemia, and obesity. The sequelae of this condition increase the risk of cardiovascular and neurological disease and increased mortality. The pathophysiology of metabolic syndrome is associated with a dysregulation of redox and inflammatory status, along with a perturbation of cellular homeostasis. Molecular hydrogen (H2) has been shown to decrease oxidative stress, improve cellular function, and reduce chronic inflammation. Pre-clinical and clinical studies have shown promising effects of H2-rich water (HRW) on specific features of metabolic syndrome, yet the effects of long-term, high-concentration HRW on metabolic syndrome is unknown. Sixty men and women with metabolic syndrome participated in a randomized, double-blinded, placebo-controlled trial. An initial observation period of one week was used to acquire baseline clinical data followed by randomization to either placebo or high-concentration HRW (> 5.5 millimoles of H2 per day) for 24 weeks. Supplementation with high-concentration HRW significantly reduced blood cholesterol and glucose levels, attenuated serum hemoglobin A1c, and improved biomarkers of inflammation and redox homeostasis as compared to placebo (P < 0.05). Additionally, H2 induced a minor reduction in body mass index and waist-to-hip ratio, and a significant reduction in blood pressure. These results corroborate previous studies suggesting that high-concentration HRW may exert therapeutic actions for mitigating risk factors for metabolic syndrome, and its related consequences.

Study on Degradation Processes of 14C-Carbofuran in Soil from Northwest Morocco as Influenced by Soil Water Content, Temperature and Microbial Activity

Benicha Mohamed, Mrabet Rachid , Moussadek Rachid , Azmani Amina

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 17-39

This study was conducted to assess the impact of soil temperature, moisture, and microbial activity on the mineralization and dissipation rate of Carbofuran on a typical sugar beet clayey soil in the Loukkos area in order to predict the fate of Carbofuran in soil and environment (Northwest Morocco). The results of incubation investigations demonstrated that both soil temperature and water content have a substantial impact on the rates of Carbofuran mineralization and dissipation, and that the autoclaving of soil greatly lengthened the half-life of the insecticide. In non-autoclaved soil, the rates of mineralization and degradation increased as soil moisture content and temperature rose. In natural soil, Carbofuran half-lives ranged from 26 to more than 90 days, and dissipation rates followed first-order kinetics. Chemical degradation and microbial breakdown are the principal pathways of Carbofuran degradation which are highly dependent on soil temperature and moisture contents. However, the half-life increased 3.6 times in the autoclaved soil, from 39 to 142 days. Autoclaving prevented mineralization, demonstrating the significance of microbes in the pesticide's breakdown process. However, since bound residues developed in large concentrations (19%) in the autoclaved soil, it appears that the insecticide was also dissolved by non-biological processes. Insecticide risk assessment studies and the validation of pesticide dissipation models for clayey soils in sugar beet-growing regions of Morocco may benefit from these findings.

Impact of Transition Metal Ions on the Oxidation of Perfumery Alcohols

Damodar V. Prabhu, Harichandra A. Parbat , Chetana N. Rana , Himanshu Gupta

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 40-57

The aim of this investigation is to study the catalytic impact of transition metal ions on the oxidation of a variety of perfumery and fragrance alcohols by Ce (IV) in an acidic medium using kinetic methods.

The quantitative aspects of the oxidation of alcohols to aldehydes/ketones have been extensively studied and reported in literature but there are few reports of the kinetic and thermodynamic studies of the oxidation of alcohols.Environmentally hazardous metal ions, Cr (VI), Os (VIII) and Ru in different oxidation states have been routinely used to catalyze the oxidation of alcohols.We have investigated the oxidation of perfumery and fragrance alcohols using Ce(IV) as oxidant in acidic medium.As a green initiative ,less harmful and inexpensive transition metal ions have been effectively used to catalyze the oxidation of 1) primary acyclic alcohols,Geraniol,Nerol and Citronellol, 2)secondary cyclic alcohols,Borneol and Isoborneol and 3)primary unsaturated alcohol,Cinnamyl alcohol.

Using kinetic methods, the oxidation rates of alcohols were determined under first order kinetic conditions with respect to the inorganic oxidant.For each alcohol,the oxidation rate increased with [alc.] but decreased with Ce(IV) concentration.From the variation of oxidation rate with temperature,the energy of activation and thermodynamic activation parameters were evaluated and interpreted in terms of the molecular dynamics of the oxidation process.

The sequence of catalytic efficiencies of the transition metal ions were determined for each perfumery alcohol and compared with the expected sequence based on Irwing-Williams stability orderof the metal complexes formed as unstable intermediates during the oxidation reaction.The oxidation rates of alcohols increase with transition metal on concentration.Suitable reaction mechanisms have been suggested for the oxidation of the perfumery alcohols in the presence and absence of transition metal ion catalysts.

Microwave Synthesis of Substituted 1- Aryl Pyrroles by Clauson-Kaas Reaction Using Oxone as a Catalyst

G. Kumaraswamy, G. Brahmeshwari, M. Ravichander, V. Raju

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 58-67

Oxone has been found to be an efficient and rapid medium for the synthesis of novel substituted pyrroles. The present investigation is involving an efficient methodology to synthesize N-Substituted pyrrole derivatives by Clauson Kaas reaction via conventional and microwave irradiation method using catalyst with various solvents. This method involves remarkable advantages such as simple workup, easy experimental setup, high yield and avoiding hazardous solvent. Structures of newly synthesized compounds have been confirmed by 1HNMR, 13CNMR and mass spectra.

Convenient Synthesis of Orixiarine: Pharmacological and Biological Perspectives

T. Suresh, K. Velmurugan, P. S. Mohan, R. Nandhakumar

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 68-73

Quinoline alkaloids are a group of an important class of heterocyclic compounds that has grown in significance due to its high level of pharmacological effectiveness and variety of biological functions. An elegant and total synthesis of the quinoline alkaloid, orixiarine was obtained from N-methylaniline and 1-bromo-3- methyl-2-butanone. This research paves the path for the synthesis of newer orixiarine derivatives for future investigation in a number of prospective biological studies.

Crystal and Electronic Structures of g-C3N4

Lei Chen, Guifang Zheng, Yabing Wu, Pingjuan Zhang

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 74-118

The graphitic carbon nitride (g-C3N4), as a free-metal, non-toxic, earth-abundant, and environmentally friendly narrow-bandgap dimensional semiconductor with visible light response, has received extensively across-disciplines attention in the fields of photocatalysis, optoelectronic devices, biomedicines, and etc. And the unique crystal and electronic structure of g-C3N4 enables it with tunable luminescence, highly chemical stability and thermal stability. Nevertheless, the crystal and electronic structures of g-C3N4 are fundamental to understand its properties and property mechanisms and to tune performances for variable applications. This review summarizes the crystal and electronic structures of g-C3N4, along with defects identification and band structure regulations. Besides, the structure transition from small molecular precursors to macroscopic compound, including synthesis approaches and reaction conditions on structures and performances of intermediate and final products, of g-C3N4 were discussed. In addition, the applications of g-C3N4 in optoelectronics, sensors and bio-imaging, which mainly involve in photoluminescence and electroluminescence properties, were highlighted.

Synthesis and Antitumor Activity of Tetrahydroisoquinoline Derivatives

Xue-Ting Feng, Dao-Cai Wang , Hang Song, Shun Yao

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 119-128

The optimized reaction conditions were the reaction time should not exceed 4 h when 1-methylpiperidin-4-one was converted to corresponding a,b-unsaturated ketones, and the DBU was chosen as the most suitable strong base for the reaction of a,b-unsaturated ketones and malononitrile. Then fifteennovel tetrahydroisoquinoline derivatives have been synthesized via the mild synthetic route. The structures of all the compounds were confirmed by 1H NMR spectra, 13C NMR spectra and mass spectra. Their antitumor activities were tested in four human tumour cell lines: human colon carcinoma (HCT116), non-small cell lung cancer (H1975), human lung adenocarcinoma (A549), and human pancreatic cancer (BxPC-3). Among these, compounds 4i and 4j, with GI values of 59.1 and 63.0 percent, respectively, shown substantial growth inhibitory action against the whole examined subpanel tumour cell lines, particularly H1975.

In silico Design, Synthesis and in vitro Anticancer Activity of Novel 4- Methylbenzamide Derivatives Containing 2,6- Substituted Purines

Elena Kalinichenko , Aliaksandr Faryna , Tatyana Bozhok , Alesya Panibrat

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 129-166

The disruption of the protein kinases functioning leads to various pathologies, including the occurrence of certain types of cancer. Inhibition of the specific protein kinases’ activity remains an important target for the development of antitumor drugs. A novel class of potential protein kinase inhibitors 7–16 was synthesized in high yields using various substituted purines and 3-(trifluoromethyl)phenyl.

In this study, we used purine derivatives as substituents attached to the methyl group of 4-methylbenzamide via N-9 atom while leaving 3-(trifluoromethyl)phenyl moiety. Purine is a part of ATP and thus can theoretically form necessary hydrogen bonds in the ATP-pocket of protein kinase. At the same time, 3-(trifluoromethyl)aniline is known to have excellent affinity to the kinase’s allosteric pocket and can be seen in the majority of known inhibitors. On the other hand, targeted structures could be classified as modified nucleosides in which sugar part is replaced by 4-methylbenzamide.

The most promising compounds 7 and 10, containing chlorine atoms in the C-2 and C-6 positions of the purine heterocycle, exhibited inhibitory activity against seven cancer cell lines, comparable to the data for sorafenib. The IC50 values for compounds 7 and 10 were 2.27 \(\mu\)M and 2.53 \(\mu\)M for K562 cells, 1.42 \(\mu\)M and 1.52 for HL-60 cells, 4.56 \(\mu\)M and 24.77 \(\mu\)M for OKP-GS cells, respectively. In addition, compounds 7 and 10 dose-dependently induced the apoptosis and cell cycle arrest at G2/M phase preventing cell division of OKP-GS cells. Compounds 7, 9 and 10 showed 36%-45% inhibitory activity against of PDGFR\(\alpha\) and PDGFR\(\beta\) at the concentration of 1 \(\mu\)M.

The results of docking and molecular dynamics showed that the presence of a 4-methylimidazole fragment in the structure of titled compounds promotes their binding to protein kinases predominantly as type 2 inhibitors. However, in the case of Aurora kinases, 1 type of binding prevailed, regardless of the presence of a 4-methylimidazole fragment.

Extracellular lipase produced by Aspergillus japonicus was tested for its activity on sesame, groundnut and sunflower oil substrates. The enzyme showed significant activity in the pH range of 6-8 and a temperature range of 300C-400C but with sunflower oil, the activity was optimum at 500C. Of the eleven metal ions tested, only Mg2+ (2mM) enhanced the enzyme activity while others, inhibited. EDTA significantly (P <0.05) enhanced the enzyme activity suggesting that metal ions do not in general affect the lipase isolated from A. japonicus. Organic solvents and acids tested showed significant (P< 0.05) enhancement of the lipase activity at higher concentrations, presumably because of their influence on the interfacial area. Km and Vmax values of the partially purified lipase determined from Lineweaver Burk and Eadie-Hofstee plots were 63.09 (mM/L), 5.33 (mM/L/min) and 71.76 (mM/L), 5.25 (mM/L/min) respectively. Further studies included screening of fungal infestations of groundnut seeds for thermo-tolerant lipases with stability over a wide pH range and temperature, desirable for industrial applications. DNA sequencing of ITS 1, 5.8S and ITS 2 regions indicated the isolate closer to Aspergillus niger with 99% identity, and therefore designated as A. niger GN1 in this study. The pellet obtained from culture extract, subjected to 65% ammonium sulphate precipitation, was suspended in Tris-buffer and assayed for lipase activity. Two fractions of lipase (1 and 2) could be extracted at pH 4 and pH 9 respectively. Both lipase 1 and 2 fractions were characterized by LC-MS/MS spectroscopic analysis. The relative and residual activities of the enzyme fractions were high in the temperature range of 60–80 0C and over a pH of 4 & 8 for lipase 1 and 2-6 for lipase 2 fractions. LC-MS/MS confirmed the presence of Lipase 1 (~32 kDa) and Lipase 2 (~30 kDa) fractions with 4 and 2 unique peptides respectively.

Advantages of Electrochemically Synthesized Organic Compound in the Corrosion Inhibition with Azoschiffs Base

S. A. Shreekanta, R. Purushothama

Current Topics on Chemistry and Biochemistry Vol. 4, 23 July 2022, Page 181-188

In the present study, direct reduction in the aromatic ring by electrochemical route at the laboratory scale is explored. This concept is conceived as a preparatory attempt to accomplish an alternative course to the tedious chemical route and to invent a direct method of incorporating the Azo-imine groups into the aromatic ring moiety, in a single step. The experimental part comprises of two segments – Electro synthetic work and Electro analytical work. The electrochemically synthesized azodye shows corrosion inhibition efficiency on forming a layer of hydrophobic film on the surface of steel. The corrosion inhibition of electrochemically synthesized azo Schiff bases shows good result compare to azo schiffs bases which is synthesised by conventional method, then it was studied by weight loss method.

Microwave-mediated reactions have piqued the interest of organic chemists over the last two decades due to their shorter reaction times and high yields of products with high selectivity. The synthesis of pyrimidine carboxamide derivatives utilizing UO2 (NO3)2.6H2O catalyst under conventional and microwave irradiation. The use of uranyl nitrate in the synthesis of dihydropyrimidine offered various advantages, including ease of use, shorter reaction durations, and higher yields using acetonitrile as a solvent. FT-IR, 1H NMR, 13C NMR, and mass spectral data were carried out to validate the structures of the prepared compounds. All the synthesized compounds were tested for in vitro antioxidant and antibacterial activities and the results were reported.