Vol. 7 & Issue 1 ; Section A : Chemical Sciences

Date : Nov.2016 to Jan.2017

 

Antioxidant Activity of 2,6,7-Trihydroxy-9-(4-hydroxyphenyl) xanthen-3-ones: Theoretical Investigation of Substituents Effects

Selma Špirtović-Halilović, Mirsada Salihović, Amar Osmanović, Elma Veljović, Melita Huremović, Mirza Nuhanović and Davorka Završnik

  • Abstract

    Theoretical calculations of bond dissociation energy (BDE) have been useful for elucidating the high capacity of the OH groups of phenolic antioxidants. BDE calculations were conducted for substituted 2,6,7-trihydroxy-9-(4-hydroxyphenyl) xanthen-3-ones, using density functional theory (DFT) at B3LYP level and 6-31G* basis set in vacuum-phase. Results of BDE values for xanthene derivatives ranged from 85.01945 to 98.32893 kcal mol-1. The structure–activity relationship was examined in the light of those results and particular attention was payed to interpretation of the reactivity of the OH group and the radical formed after H-removal from the molecule. EHOMO, as alternative parameter of antioxidant activity, was calculated and showed good correlation as well. Furthermore, physicochemical properties included in Lipinski's rule of 5 and polar surface area were calculated to determine compounds’ solubility properties and their appropriateness for oral intake in humans.

Synthesis, Structural Characterization and Chemotherapeutic Activity of Metal Complexes

Abdou S. El-Tabl , Moshira M. Abd-El Wahed , Sabreen M. El-Gamasy , Mona A. shebl 

  • Abstract

    Novel (N', N''' E, N', N'''E)- N', N'''- ((4, 6- dihydroxy -1,3 -phenylene) bis (ethan-1ylidene)) bis (2-hydroxybenzohydrazide Schiff base ligand and its Mn (II), Fe (II), Co (II), Ni (II), Zn (II), Bi (III), Hg (II) and Ag (I) complexes have been successfully prepared and characterized using 1H-NMR, mass spectra, IR, UV-VIS and ESR spectra, magnetic moments, conductance measurements, as well as elemental and thermal analyses (DTA and TGA). Analytical and spectral data indicate that, ligand coordinates to the metal ion as neutral bi-, tri-, or hexadentate, monobasic tridentate and dibasic hexadentate. Molar conductances in DMF solution indicate that, the complexes are non-electrolytes. ESR spectra of solid complexes showed axial or isotropic spectra with a d(X2-y2) ground state with covelent bond character. It was interestingly found that, the Cu (II) complexes (2), (5), (6) and (7), Co (II) complex (18) and Zn (II) complex (12) and mixed complexes (9) and (11) have been recorded the highest cytotoxicity against HepG-2 with IC50 17.8, 8.05, 23.3, 6, 4.42, 42.1 and 9.24 respectively. The cytotoxicity of the ligand and its metal complexes was found to be concentration dependent

Synthesis, Spectral and Thermal Characterization with Antimicrobial Studies on Mn(II), Fe(II), Co(II) and Sn(II) Complexes of Tridentate N,O Coordinating Novel Schiff Base Ligand

Md.Saddam Hossain, Md.Ashraful Islam, C. M. Zakaria, M.M.Haque, Md. Abdul Mannan, Md. Kudrat-E-Zahan

  • Abstract

    Some transition metal complexes of Mn(II), Fe(II), Co(II) and Sn(II) ions with tridentate N,O containing Schiff base ligand 2-{(4-hydroxybenzylidene) amino} phenol derived from condensation of 2-amino phenol with 4-Hydroxy Benzaldehyde have been prepared and characterized by molar conductance ,magnetic susceptibility, TLC, electronic, Infrared and thermal analysis. During complexation reaction with transition metal ions, Schiff base act as a deprotonated tridentate ligand and IR spectra showed that N and O atoms are coordinated to the central metal atom. Molar conductance study have shown that all the complexes were non electrolytic in nature. Magnetic susceptibility data coupled with electronic spectra suggested a distorted octahedral structure of the complexes. GA and DTG analysis was evident that all complexes were thermally highly stable and provided information in support of proposed octahedral structure of the complexes. The overall reaction was monitored by TLC analysis. The Schiff base and its metal complexes have been shown moderate to strong microbial activity.

Isolation, Purification and Structure Elucidation of Cytotoxic Phenazine Derivatives from Marine Pseudomonas Aeruginosa Ici58173

Srinu Meesala, M. Venkata Ramana, M. Murali Krishna Kumar 

  • Abstract

    A novel phenazine derivative (3) together with two known phenazines (1-2) were isolated from the culture broth of marine Pseudomonas aeruginosa IcI58173 isolated by bioactive guided purification. The compounds 1–3 structure elucidation was done by using 1D, 2D NMR, and HRMS data. Compound 2 was also confirmed by X-ray crystallography. Phenazines (1-3) exhibited in vitro cytotoxic activity against mouse macrophage (RAW 264), human neuroblastoma (SHSY5Y), human lung cancerous (A549), human liver cancer (HEPG2) with IC50 values at 50ng/mL.

Evaluation of the Antibacterial and Antifungal Activities and Phytochemical Screening of Bark Extract of Ziziphus Spina Christi L (ZSC) in Albaha Area

Abdulaziz Ali Alomari , Abdalfatah Abdalla Fadlelmula , Mohamed Osman Mohamed Abdalla 

  • Abstract

    The objective of this study is to perform the phytochemical screening and evaluate the antimicrobial activity of the stem bark of Ziziphus spina Christi L collected from Albaha area, Saudi Arabia. Alcoholic extract of the dry powdered bark Ziziphus spina Christi L was obtained by maceration using aqueous ethanol. The ethanolic extract was subjected to successive extraction using petroleum ether, chloroform, ethyl acetate, and butanol. The extracts were further subjected to the preliminary phytochemical screening, in addition to antimicrobial activity test using Escherichia. coli, Pseudomonas. aeruginosa, Bacillus spp., Staphylococcus aureus, and Candida albicans. Phytochemical analysis of all extracts revealed the presence of alkaloids, flavonoids, tannins, steroids and saponnins in the plant. The minimum inhibitory concentration of the stem bark was significantly affected by the type of solvent used for extraction, as well as the concentration of the extract used for the antimicrobial activity test.

Applications of Nanotechnology in the Various Emerging Fields

Anil A. Kshirsagar and Yusuf H. Shaikh

  • Abstract

    Nanotechnology is the relatively new science it has numerous applications in everyday life ranging from medicines, environment, electronics, computers, sensors, mechanics, engineering, biology, material science, chemistry, botany, zoology, physics and cell biology etc. Now a day’s nonmaterial are progressively entering in the day today life. Atoms and molecules are considered to be the basic units of building blocks of electronic devices. Thus the efforts have done to compile the small wonders of nanotechnology.

Performance and Theoretical Study of Corrosion Inhibition of Mild Steel in 2M Hydrochloric Acid Solution by N-Benzyl Piperidin-4-one Semicarbazones

K. Raja , A.N. Senthilkumar , S. Umamatheswari  and K. Tharini

  • Abstract

    Acid solutions are used in industries during various processes such as acidic cleaning, pickling and oil well acidification which generally leads to serious metallic corrosion. It has been found that one of the best methods of protecting metals against corrosion involves the use of inhibitors. Inhibitors are added to the acid solution to minimize acid attack on metal. A large number of organic compounds including heterocyclic compounds were studied as corrosion inhibitors for mild steel. Most of inhibitors are toxic and expensive so the research activities in recent times are geared towards developing cheap, non-toxic and environmentally safe corrosion inhibitors. The present paper describes a study of N-benzyl piperdin-4-one thiosemicarbazone (BPTSC) and N-benzyl piperdin-4-one semicarbazone (BPSC) as corrosion inhibitors for mild steel in 2M hydrochloric acid using potentiodynamic weight loss, polarization, impedance measurements, SEM with EDS and quantum chemical studies.

An efficient synthesis of substituted Imidazole via Multi Component Synthesis and their Antimicrobial evolution

Mohammad Ashid and Ajit Joshi

  • Abstract

    One pot three component synthesis of 2-(substitutedphenyl)-4,5-diphenyl-1H-imidazole (1a-d) in moderate to high yield is achieved via a one pot synthesis reaction of benzyl, substituted aromatic aldehyde & ammonium acetate in glacial acetic acid. Which is further treated with different halogen derivatives to give final 1-substituted-2-(substitutedphenyl)-4,5-diphenyl-1H-imidazole [2-5(a-d)] via condensation process. All the synthesized compounds were supported by spectral and analytical analysis. Also the synthesized compounds were tested for their antimicrobial activity.

Effect of Storage Duration and Cultivars on Chemical Constituents of Roselle (Hibiscussabdariffa L.) under growing conditions of Sudan

Rasha Khalid Abbas, Abdalfatah Abdalla Fadlelmula, Fatma Seleman Elsharbasy

  • Abstract

    The effect of storage duration (zero time, six months and two years) on the performance of four cultivars of Hibiscuss L. (namely: Rahad, Fashir, Kass and Abiad)- was studied by evaluating some of its constituents as, organic acids (citric, ascorbic and tartaric), anthocyanin's (malvidin and pelargonidin), pH and essential amino acids under the semi -arid conditions of Sudan. HPLC and amino acid analyzer were used in this study. It was found that, there was a significant effect of storage duration on pH, organic acids, anthocyanin's and essential amino acids content where, two years gave significantly higher pH values. Storage for two years Roselle cultivars yield the highest amount of ascorbic acid. But, there was a significant difference between storage duration on organic acids separately, Anthocyanin's also were significantly affected by storage duration, pelargonidin and Malvidin were found to be higher at harvest time then they decreased after six months of storage. Essential amino acids content decreased with increase storage duration. With respect to cultivars it was found that, there was no significant different among cultivars in the pH, while the organic acids were significantly affected, where, Kass cultivar contains the highest amount of total organic acids. On the other hand, Rahad cultivar gave significantly the highest amount of the Anthocyanin's and essential amino acids content among all other cultivars.

Synthesis of 3-Aroyl Flavanones by Using Microwave Irradiation and Study of Its Antibacterial Activity

Jayashri N.Angaitkar and P. S. Bodkhe

  • Abstract

    Newly substituted 3 Aroyl flavanones were synthesised by using microwave irradiation. The structure of compounds was elucidate by spectral analysis (IR and NMR). The synthesised compounds were screened for their antibacterial activity.

A Novel Fluorescent pH probe based on the aggregation-induced emission-active Salphen ligand

T. Rajendran, G. Balakrishnan, K. Senthil Murugan, V. K. Sivasubramanian,M. Ganesan

  • Abstract

    We have synthesized and evaluated a simple salphen-based “turn on” fluorescent pH probe. This Salphen compound inheriting the aggregation-induced emission (AIE) phenomenon displays strong green fluorescence with large Stocks shifts in water-acetonitrile mixed solvent systems. Combining advantages of aggregation-induced emission (AIE) and chemical reactivity of phenol towards OH-/H+, it can be used as ratiometric fluorescent pH probe with a broad pH range (2-12) in water. The probe displayed an apparent color change, which could be observed by the naked eye under a UV lamp.

Potential biological activities and spectrometric BSA-binding evaluation of novel cadmium (II) complexes derived from 4-aminoantipyrine

Archana S. Nair, P.K. Radhakrishnan

  • Abstract

    A series of novel Cd(II) complexes, viz., [Cd(BDAP)Cl2] (1), [Cd(BDAP)Br2] (2), [Cd(BDAP)I2] (3), [Cd(BDAP)(NO3)](NO3) (4) and [Cd(BDAP)(ClO4)](ClO4) (5) of the Schiff base ligand, 2,3- di(imino-4’-antipyrinyl)butane (BDAP) derived from the 1:2 condensation of 2,3-butanedione and 4-aminoantipyrine have been synthesized and characterised by elemental analysis, molar conductivity as well as spectroscopic and thermal studies. The ability of the complexes to effectively bind with protein has been investigated by bovine serum albumin-binding interactions using fluorescence spectroscopy, which shows that all the complexes could substantially quench the intrinsic fluorescence of BSA through a static quenching process. The moderate protein binding suggested that they can be easily transferred through biological fluids. In the in vitro studies for potential biological activity, all complexes show moderate antibacterial properties and excellent antifungal properties, with [Cd(BDAP)Cl2] expressing maximum activity.

Synthesis and characterization of some new Azo compounds From coupling of substituted 2-aminothiazolume salts with pyrrole

Entissar O. Al-Tamimi and Hussein F. Abdul Mahdi

  • Abstract

    The presented work involved the preparation of new Azo compounds containing aromatic heterocyclic (thiazole ring) derived from substituted aminobenzoic acid. The preparation procedure involves a series of steps. The first step includes the reaction of synthesized 2-aminothiazol compounds with nitrous acid at (0)°C to form the corresponding diazonium salts. The second step involved coupling the newly synthesized diazonium salts with pyrrole. All the prepared compounds in this work were characterized by melting point and softening points with other physical properties, FTIR and H1-NMR spectra.

Synthesis, Characterization and DFT Studies of 2-[(2-substitutedphenyl) carbamoyl] benzoic acids

T. B. Pawar, B. S. Jagdale, A. B. Sawant, and V. A. Adole

  • Abstract

    2-[(2-substitutedphenyl) carbamoyl] benzoic acids are synthesized by using phthalic anhydride with o-aminophenol, o-anisidine and o-chloroaniline. The synthesized compounds were characterized by spectral analysis. For the synthesized compounds the density functional theory at the B3LYP levels was performed using Gaussian 03(W). The frontier molecular energies, electronic chemical potential, chemical hardness, chemical softness and global electrophilicity indices have been calculated at DFT/B3LYP/6-31G (d,p) level of theory. In our present study the theoretical FT-IR spectra and GIAO/SCF 1H NMR calculations of the title molecules were carried out and compared with the experimental data

An efficient one-pot multi Component Synthesis of pyrimidine and their Antimicrobial activity

Mohammad Ashid and Ajit Joshi

  • Abstract

    One pot three component synthesis of 4-amino/mercapto-6-(3-nitrophenyl)-2-sulfanylpyrimidine-5-carbonitrile (IVa-b) in moderate to high yield is achieved via a one pot synthesis reaction of malononitrile, substituted aromatic aldehyde & Guanidine/thiourea in ethanol. Which is further treated with formic acid via Cyclization gives 7-Substituted-5-(3-nitrophenyl) pyrimido [4,5-d]pyrimidin-4(3H)-one (V a-b) in condensation process. Which was further treated with Bromoethoxyphthallimide to give 2-(2-{[4-(3-nitrophenyl)-5-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-2-yl]sulfanyl/amino}ethoxy)-1H-isoindole-1,3(2H)-dione (VIIIa-b). All the synthesized compoundso give were supported by spectral and analytical analysis. Also the synthesized compounds were tested for their antimicrobial activity.

Synthesis of Some New1, 8-Naphthyridines From N-(7- Chloro-5-Methyl-1, 8-Naphthyridine-2-yl)Acetamide and 7-Amino-2-Chloro-4-Methyl-1,8-Naphthyridine

Omyma Abd El Aziz Abd Allah, Mohamed Taher Mohamed El-Wassimy and Amr Hassan Moustafa

  • Abstract

    The first parent compound N-(7-chloro-5-methyl-1,8-naphthyridine-2-yl)acetamide was reacted with both of ethyl thioglycolate forming ethyl [{7-(acetylamino)-4-methyl-1,8-naphthyridine-2yl} sulfanyl] acetate and ethyl[(-7-amino-4-methyl-1,8-naphthyridine-2yl) sulfanyl] acetate and with thioacetamide to afford N-[5-methyl-7-sulfanyl-1,8-naphthyridine-2-yl] acetamide. The last product was used as an intermediate for the synthesis of different novel mercapto derivatives. The second parent compound 7-amino-2-chloro-4-methyl-1,8-naphthyridine was reacted with several active organic compound (e.g. propanedinitrile, diethylpropanedioate, ethylcyanoacetate and acrylonitrile) forming polyfused naphthyridine derivatives. Additionally, its reaction with phenyl isothiocyanate forms 1-(7-chloro-5-methyl-1,8-naphthyridine-2-yl)-3-phenylthiourea which in turn reacts with benzylidenemalononitrile to give 6-amino-1-(7-chloro-5-methyl- 1,8-naphthyridine-2-yl)-3,4-di-phenyl-2-thioxo-1,2,3,4-tetra-hydropyrimidin-5-carbonitrile

Synthesis of some new C-Nucleosides via one-pot reaction with expected biological activity

S. A. El-Assaly, Abdel-Hameed. A. Ismail2andSahar A. Sobaih

  • Abstract

    A series of C-Nucleosides were prepared by one-pot reaction of phenyl hydrazine, acyclic sugar (open sugar) and ethylene derivatives. These nucleosides containing quinoxaline moiety have marked biological activity against HBV and schistosoma.

Synthesis and Electrochemical study of Sn (IV) Complexes with some Substituted benzimidazole derivatives

Irshad Ali and Nasir Hussain

  • Abstract

    Some new organometallic Sn (IV) complexes of (2-hydroxymethyl)benzimidazole, 2-(1-hydroxyethyl) benzimidazole, 2-(1-hydroxy,-1-phenylmethyl)benzimidazole and 2-(2-hydroxyphenyl) benzimidazole with tributyltin(IV)cholride and dibutyltin(IV)chloride have synthesized by treatment of ligand with substituted tincholoride [Sn(n-but)3Cl] or [Sn(n-but)2Cl2] in (2:1) stoichiometrice proportion of substituted benizimidazole in dry THF at reflux temperature. Polarographic studies of Sn (IV) complexes with ligand have been done in alcoholic medium and the stability constant log β values were found for Sn (IV) complexes. Ligand and complexes were characterized by IR and 1HNMR

Cathodic behavior of Ti-Cu (2%) alloy in phosphoric acid bath

M. Khadiri , M.Elyaagoubi , A. Benyaïch , A.Outzourhit

  • Abstract

    The cathodic behavior of Ti-Cu (2%) was performed in 5M phosphoric acid bath at ambient temperature. cathodic treatment has as effect, the disappearance of the primary passivation peak and appearance of a peak reduction at -937 mV / SCE. The effect of the scanning speed, and the degassing of the solution and the anodic treatment of the alloy on the reduction peak was studied. This cathodic behavior seems to have slow kinetics, and can be attributed to Volmer step of reduction of hydrogen .

Design synthesis and crystallization of acetaminophen

Majda Srabovic, Melita Huremovic, Benjamin Catovic, Samra Kulic, Aida Taletovic

  • Abstract

    Acetaminophen (paracetamol) is a synthetic non-opioid derivative of p-aminophenol and basic bioactive molecule in numerous pharmaceutical preparations for the treatment of colds and flu. In combination with opioid analgesics, acetaminophen can also be used in the management of more severe pain such as post-surgical pain and providing palliative care in advanced cancer patients. Design of synthesis of acetaminophen is based on a modern approach of choosing the right synthetic route and using methods necessary for the characterization of the resulting pharmaceutically active compound, thereby providing reliable parameters of the chemical quality of the synthesized molecules. Formation of the preferred form of acetaminophen is a process made up of two stages, where in the first stage an acid catalyzed reaction gives the crude acetaminophen. The reaction takes place according to the mechanism of nucleophilic addition in which the nitrogen atom of the p-aminophenol as nucleophile by attacking a carbonyl group of acetic anhydride forms an intermediate which undergoes the further elimination of the acetate anion. Recrystallization is one of the most common techniques used for purifying drug solids. One of the goals of this study was to achieve the results through the crystallization process in optimum conditions, in order to improve the yield and adequate purity of synthesized acetaminophen. In pharmaceuticals cyclodextrins have mainly been used as complexing agents to increase the aqueous solubility of poorly water-soluble drugs through noncovalent inclusion complexation and to increase their bioavailability and stability. Complexation with beta cyclodextrin was attempted to improve solubility of acetaminophen

Crystallization and morphological characteristics of acetyl-salicylic acid (aspirin) synthesized from substrates of different source

Melita Huremovic, Majda Srabovic, Benjamin Ćatovic, Edina Huseinovic

  • Abstract

    Salicylates, like many other drugs, originating from the plant world, are present in the leaves and bark of plants Salix, Spiraea and Gaultheria, making them very useful in the prevention and treatment of many diseases. One of the most famous salicylate drug today is acetylsalicylic acid, a pharmaceutically active compound known as aspirin. Considering the great importance of aspirin in the medicine, synthesis was performed in order to explore differences in purity of laboratory synthesized acetyl-salicylic acid using salicylic acid obtained from commercial and from natural sources. In the Paper is compared the properties of the crude product with the properties of aspirin recrystallized in a variety of solvent systems. The results of analysis show that "natural aspirin", obtained by the hydrolysis of oil of wintergreen as a renewable source of salicylic acid, has a higher purity compared to aspirin obtained from commercial salicylic acid. As a recrystallization solvents it is used the polar (methanol, ethanol, isopropanol, n-butanol and isobutanol), the partially polar (acetone) and non-polar (toluene), wherein is monitoring effect of polarity, concentration, and long chain branching on the solvent properties of the obtained products

Synthesize and Investigation of Host- Guest Complexation of New Thiazole Derivetive with Copper (II) Ions in AN solution

Naser Samadi, Nasrin birang, Reza Emam Ali Sabzi, abbas Nikoo

  • Abstract

    In this research, the complex formation reaction between the L, newly synthesized Ligand, 2-(2-pyridyl)-4-phenylamino-1, 3, 4 thiadiazole and Copper (II) ions was studied in acetonitrile solution, using Spectrophotometric method. The stoichiometry of the complex determined with both mole ratio and job methods, the results showed the formation of 1:1 complex in the solution. The formation of simple ML complex also confirmed by NMR an IR stereoscopies. The complex formation constant Kf was determined using KINFIT Data processing program. Log Kf was 4.57(±2.23×10-3) at (T=25oC).

pH-Metric and Kinetic Studies of 1-(1H-benzimidazol-2-yl) ethanol Complexes with Selected Metal Ions

Gamal A. H. Gouda, T. A. Seaf Elnasr, M. A. El-Mottaleb, A. Abd-Elmotagally

  • Abstract

    The complex formation of Co2+, Ni2+, Cu2+, Pd2+ and Cd2+ metal ions with 1-(1H-benzimidazol-2-yl) ethanol (H2L) have been studied at 0.1 M NaNO3 in 50 % (v/v) ethanol-water mixture by Bjerrum method as adopted by Calvin and Wilson. The dissociation constants of H2L (pKiH) and the stability constants of their complexes (log Ki) were determined at 298, 308 and 318 K. The stability constants of the formed complexes were found to be in the order Cu+2 > Ni+2 > Co+2 > Cd+2 > Pd+2. The kinetic parameters of the formation complexes were calculated and discussed. The results indicated that, the dissociation process is non-spontaneous, endothermic and entropically favorable. The concentration distribution of the complexes in solution is evaluated as a function of pH.

Protonation Equilibria of Gallic Acid (GA) and Stability Constants of Its Complexes with Transition Metal Ions in Aqueous Media

Shaikh Abdul Rahim, Sayyed Hussain, Mazahar Farooqui

  • Abstract

    Complexes of GA with transition metal ions in aqueous solution at 27°C temperature studied by pH metric method. 1N NaNO3 used to maintain ionic strength. The Irving Rossoti titration method used for determinations. Proton ligand and metal ligand constant determined using Excel computer programme. Metal ligand ratio maintained 1:2. Easily available nitrates used for determination. Use of Cheap and easily available sodium nitrate used in the place sodium perchlorate and HNO3 at the place of perchloric acid were the salient features of the work. The stability order compared with literature and found to be in agreement with Irving Williams natural order. In order to find out the relationship between the physical properties of the metal and stability constants of the complexes regression analysis was performed using computer programme origin profession 6.0 version.

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