047762   JITHENDRA C, SARAVANAN G, ALAGARSAMY V, PANNEERSELVAM T, SELVARAJ K, PARASURAMAN P (Pharmaceutical Chemistry Dep, M.N.R. Coll of Pharmacy, Sangareddy - 502 294, Email: sarachem1981@gmail.com) : Synthesis, characterization & antimicrobial activities of new isoxazole substituted mannich and schiff bases of 5 - nitroisatin analogs. Asian J. Chem 2020, 32 (4), 970 - 4.

A sequence of new isoxazole substituted Schiff base and Mannich base of 5 - nitroisatin are synthesized by a multi - step synthesis from 5 - nitroisatin. Whole synthesized analogs were characterized using IR, NMR, Mass spectroscopy and microanalyses. All the Schiff and Mannich bases were tested for their antimicrobial potencies against some human pathogenic microorganism using agar well diffusion technique. The relationship between the biological activity and the functional group variation of the Schiff and Mannich bases were analyzed. Standard ciprofloxacin and ketoconazole were used to compare the antimicrobial activities of novel isatin coupled isoxazole derivatives.

4 tables, 18 ref

047760   PEERZADE N A, JADHAV S Y, BHOSALE R B (Punyashlok Ahilyadevi Holkar Solapur Univ, Solapur - 413 255, Email: nargispeerzade111@gmail.com) : Synthesis and biological evaluation of some novel quinoline based chalcones as potent antimalarial, anti - inflammatory, antioxidant and antidiabetic agents. Asian J. Chem 2020, 32 (4), 959 - 64.

The objective of the present study was to synthesize a series of some novel quinoline based methoxy substituted chalcones and to evaluate their in vitro antimalarial, anti - inflammatory, antioxidant and antidiabetic activitites. The quinoline based chalcones was synthesized by condensation of 2 - chloro - 3 - formyl qunoline with various methoxy substituted acetophenone in presence of NaOH. The Claisen - Schmidt condensation gave high yield of quinoline based chalcones. Synthesis of 2 - chloro - 3 - formyl quinoline was carried out by Vilsmeir - Haack reaction on acetanilide and 4 - methoxy acetanilide which on cyclization along with formylation give corresponding 2 - chloro - 3 - formyl quinoline. The synthesized compounds were screened for in vitro antimalarial, anti - inflammatory, antioxiadant and antidiabetic activities. The structures of the synthesized compounds were characterized by infrared, 1 H NMR and 13C NMR spectroscopy. Compounds 1f and 1h showed highest antimalarial activity even more than standard chloroquine diphosphate. Compound 1a showed excellent activity whereas 1c and 1d showed potent anti - inflammatory activity as compared to standard diclofenac. On the other hand, compounds 1a and 1g showed excellent antioxidant activity for 2,2 - diphenyl - 1 - picrylhydrazyl (DPPH) radical while compound 1a showed highest inhibition of nitic oxide free radical (NO? ) and compound 1h showed highest inhibition for super oxide radical (SOR) as well as highest antidiabetic activity as compared to standard acarbose. All quinolne based chalcones were synthesized in good yields and showed potential biological activities hence they may be helpful for the designing of new drugs.

1 table, 26 ref

047759   VISHWAKARMA A, SENGUPTA S K, PANDEY O P ( Chemistry Dep, Deen Dayal Upadhyaya Gorakhpur Univ, Gorakhpur - 273009, Email: ananyaa.vishwakarma@gmail.com ) : Synthesis, characterization and photo - physical properties of europium(III) and Terbium(III) Complexes with Thiosemicarbazones. Asian J. Chem 2020, 32 (4), 952 - 8.

Europium(III) and Terbium(III) complexes of type [Eu(L)Cl(H2O)2] and [Tb(L)OAc(H2O)2] (H2L = thiosemicarbazone ligands derived from substituted thiosemicarbazide and benzil/diacetyl) were synthesized. The ligands and synthesized complexes were characterized on the basis of elemental analysis, FT - IR and 1 H NMR and X - ray diffraction studies. Photo - physical properties such as excitation spectra, emission spectra and luminescence curves of complexes were investigated. The most intense peak of Eu3+ ion found at 618 nm attributed to 5 D0 ? 7 F2 transition and peak of Tb3+ ion at 549 nm attributed to 5 D4 ? 7 F5 transition.

6 illus, 4 tables, 45 ref

047758   SRINIVAS M, SULOCHANA N, KUMAR G R Y, MAHADEVAN K M, NAIK H S B (P.G. Studies & Research in Chemistry Dep, Kuvempu Univ, Shankaraghatta - 577451, Email: srinivas1885@gmail.com; mahadevan.kmm@gmail.com) : New Zn(II) Complexes of Substituted bis(Salicylidene)phenyl - 1,2 - diamino Based Organic Ligands: Synthesis, photoluminescence, applications in forensic fingerprint and dye sensitized solar cells. Asian J. Chem 2020, 32 (4), 945 - 51.

New azomethine - Zn(II) complexes of bis(salicylidene)phenyl - 1,2 - diamino organic ligand derivatives were synthesized by the reaction of salicylaldehyde, substituted phenyl - 1,2 - diamine with zinc acetate. The synthesized complexes were characterized by FTIR, 1 H NMR and EDS. Their photophysical and electrochemical properties were studied and their applicability for dye - sensitized solar cells (DSSCs) and forensic finger print developments have been demonstrated. Photoluminescence studies revealed that the emission peaks of the complexes in solution state appeared at 372 - 406 nm and emitted blue light. Latent fingerprint detection study indicated that the powder compounds show good adhesion and finger ridge details without back ground staining. Based on these results, it was ascertained that these Zn(II) complexes can serve as a suitable non - dopant blue light emitting compound for flat panel display applications and applied to detect fingerprints on all types of smooth surfaces.

6 illus, 2 tables, 21 ref

047757   RAKHMAN K A, SARAHA A R, UMAR S, ZAINUDDIN R, ABDJAN M I (Chemistry Education Dep, Univ Khairun, Ternate, Indonesia, Email: khusna.arif.rakhman@gmail.com) : Anthocyanin in flacourtia inermis peel: Analysis and electronic transition study. Asian J. Chem 2020, 32 (4), 941 - 4.

This study aimed to determine the anthocyanin content present in Flacourtia inermis peel and its ultraviolet - visible absorption potential as a dye agent. This work focused on developing dye - sensitized materials that require natural eco - friendly dyes which are easily reproducible. The red to purple colour of Flacourtia inermis peel indicates the presence of anthocyanin contents, which were derived from flavonoids. Hence, anthocyanin analysis, UV - vis absorption test and electronic transition study were conducted for information regarding the potential use Flacourtia inermis fruit peel in natural dyes. To determine anthocyanin and absorption ability, UV - visible spectrophotometry was used. Furthermore, the electronic transition of anthocyanin was determined using the semi - empirical method of ZINDO/s. The results indicate that total anthocyanin content of Flacourtia inermis peel was 10.35 mg/100 g, with UV absorption occurring at erythema transmission percent of 0.7553; the pigmentation transmission percent was 0.78696, whereas the electronic transitions of molecular orbitals were observed at an optimum wavelength 425.5 nm visible area, with intensity 1.1233. Molecular orbital levels were six, with two electronic transition shifts, namely n??* and ???*.

2 illus, 3 tables, 31 ref

047756   HEE Y T, SURATMAN S (Univ Malaysia Terengganu, Terengganu, Malaysia, Email: yueyen_yy@hotmail.com) : Phosphorus and nitrogen status in the terengganu river basin, Malaysia. Asian J. Chem 2020, 32 (4), 935 - 40.

This study has been carried out in the Terengganu River basin, southern South China Sea (Malaysia), to determine the concentrations of phosphorus (P) and nitrogen (N) based nutrients and their possible sources. The dissolved inorganic nutrients in this river were found to be related to land use, where higher concentrations of dissolved inorganic nutrients were recorded at the stations near to the agricultural activities and urban areas. In contrast, dissolved organic and particulate forms of P and N were generally higher in the largely undisturbed part of the upstream, suggesting that these forms of nutrients can originate from dead organic matter and living organisms, excretion of waste by animals, soil runoff and sewage discharge. When comparing with other selected rivers in the east coast of Peninsular Malaysia, Terengganu river basin showed a relatively higher concentration of P - and N - based nutrients, probably because of the fact that the river had received high impacts of anthropogenic activities. Therefore, a regular monitoring program in this basin is important in order to capture the impact of increasing population densities, land - use changes and social - economic development to the river, which has important implications for the sustainability of Terengganu as well as of Malaysian economy.

5 illus, 1 table, 21 ref

047755   SHARMA D, SARASWAT H, BANOO S, ISLAM M ( Chemistry Dep, Mangalayatan Univ, Aligarh - Mathura Highway, Beswan - 202145, Email: harishsar@gmail.com) : Structural determination of cephalexin/? - cyclodextrin inclusion complex and its validation using molecular simulation methods. Asian J. Chem 2020, 32 (4), 930 - 4.

In this work, molecular simulation methods combining molecular docking and the structure elucidation of inclusion complex of cephalexin/ ? - cyclodextrin (? - CD) was determined using 1 H NMR. Molecular docking studies showed that the complex formation process between ? - CD and cephalexin was favourable and spontaneous because of negative values of binding energies. Molecular docking studies also confirmed the entry of aromatic ring into the cavity. Molecular mechanics studies were performed for aromatic ring of cephalexin, in different orientations and from both cavity ends, to measure the parameters of inclusion depth and mode of entry. The resultant structure was studied for HOMO - LUMO gap to validiate the method. The final structure was established using 1 H NMR, molecular mechanics, HOMO - LUMO gap and molecular docking.

6 illus, 2 tables, 23 ref

047754   SUMALATHA J, SREEDEVI A, RANI C R (Sri Padmavathi Mahila Visvavidyalayam, Tirupati - 517502, Email: sridevitirupati@rediffmail.com) : An efficient and green synthesis of fluorine containing benzo[a]xanthen - 11(12H) - ones and evaluation of their anticancer activity. Asian J. Chem 2020, 32 (4), 923 - 9.

A facile and an efficient procedure has been developed by one - pot condensation of naphthalene - diols, fluoro substituted benzaldehydes and cyclic 1,3 - dicarbonyl compounds for the synthesis of fluorine containing benzo[a]xanthen - 11(12H) - ones under the catalyst and solvent - free conditions. All the synthesized compounds were characterized by IR, NMR (1 H & 13C) and mass spectrometry. Several advantages offer the present approach, such as, shorter reaction time, low cost, anticipation of toxic solvents and catalyst, higher yield of products and durability of substrate range. On the other hand, anticancer activity was also performed for the title compounds which demonstrated a significant activity on selected cancer cell lines.

2 illus, 3 tables, 40 ref

047753   ABOUZEID F M, ALSHAMMERY S (Basic Science Dep, Imam Abdulrahman bin Faisal Univ, Dammam, Kingdom of Saudi Arabia, Email: fmabouzeid@iau.edu.sa ) : Copper electropolishing in phosphoric acid under normal and forced convection conditions in presence of some pharmaceutical drugs. Asian J. Chem 2020, 32 (4), 912 - 22.

Some pharmaceutical drugs namely valsartan, hydrocholorothiazide, erythromycin thiocynate and diclofenac potassium were studied as chemical additions for enhancing the finished copper surface attained. Anode potential - limiting current relationship was measured and comparing of gradually increasing pharmaceutical compound concentrations (from 1 ? 10 - 4 to 7 ? 10 - 4 M). Copper dissolution behaviour in presence of pharmaceutical compounds was studied under natural convection [rotating cylinder (RCE) and rotating disc electrode (RDE)] as forced convection. The limiting current was found to diminish with enlarging additives concentration and increase with increasing temperature (293 - 313 K). Activation energies values confirm that reaction rate was diffusion controlled. The results showed that the improvement produced in electropolishing in presence of pharmaceutical compounds occurs through adsorption of their molecules above metal surface. All the pharmaceutical compounds adsorption process obey kinetic - thermodynamic model. The data under different conditions were controlled by dimensionless correlations viz. Sherwood, Schmidt and Reynolds numbers. Surface morphology also confirmed that an addition of pharmaceutical compound to copper dissolution bath enhance surface appearance and its texture quality to great extent.

10 illus, 5 tables, 33 ref

047751   HONAVAR P M, KUMAR V, NIKHIL P, KUMAR N, SREENIVASA S, VISHWANATHA P, POOJARY B, HOLLA B S ( Chemistry Dep, Sri Dharmasthala Manjunatheshwara Coll, Ujire - 574 240, Email: hollabs@gmail.com) : Synthesis, anti - inflammatory activity and in silico studies of some novel morpholine based carboxamides. Asian J. Chem 2020, 32 (4), 901 - 6.

Two series of carboxamides were synthesized from 3 - fluoro - 4 - morpholinoaniline and different substituted aromatic/heterocyclic carboxylic acids. All the compounds were characterized by IR, 1 H NMR, 13C NMR and mass spectral data. The newly synthesized amide derivatives were screened for anti - inflammatory activity by following carrageenan induced rat paw edema method. Among the compounds screened, compound 6e was found to be highly potent. Molecular docking interaction of active compounds revealed that effective binding was observed in the pocket of COX - I and COX - II proteins.

2 illus, 2 tables, 29 ref

047750   IDREES M, BODKHE Y G, SIDDIQUI N J, KOLA S S ( Chemistry Dep, Institute of Science, Nagpur - 440 001, Email: idreesshaikh.2009@gmail.com ) : Synthesis, characterization and in vitro antimicrobial screening of some novel series of 2 - azetidinone derivatives integrated with quinoline, pyrazole and benzofuran moieties. Asian J. Chem 2020, 32 (4), 896 - 900.

A series of 5 - (benzofuran - 2 - yl) - N - (3 - chloro - 4 - (2 - (p - tolyloxy) substituted quinolin - 3 - yl) - 2 - oxoazetidin - 1 - yl) - 1 - phenyl - 1H - pyrazole - 3 - carboxamide derivatives (4a - f) were synthesized with excellent yields by cyclocondensation reaction of 5 - (benzofuran - 2 - yl) - N? - (2 - (ptolyloxy) substituted quinolin - 3 - yl)methylene) - 1 - phenyl - 1H - pyrazole - 3 - carbohydrazide (3a - f) with chloroacetyl chloride in presence of triethylamine in DMF. One pot condensation of 5 - (benzofuran - 2 - yl) - 1 - phenyl - 1H - pyrazole - 3 - carbohydrazide (1) with 2 - (p - tolyloxy) substituted quinoline - 3 - carbaldehyde (2a - f) in ethanol solvent in presence of catalytic amount of acetic acid gave intermediate compounds (3a - f). The structures of newly synthesized compounds have been substantiated through elemental analysis and spectral studies viz. 1 H NMR, 13C NMR, IR and mass spectra. All the synthesized compounds were screened for their in vitro antibacterial activity against pathogenic bacteria such as S. aureus and E. coli at different concentrations.

1 table, 33 ref

047749   PAWAR O B, SANAS K V, PATWARDHAN R V, WAGHMODE S A, KHALADKAR M Y (Applied Science Dep, Coll of Engineering Pune, Pune - 411005, Email: myk.appsci@coep.ac.in) : Antineoplastic activity of alkylaminolapachol analogues and their copper complexes against MDA - MB - 231 human breast cancer cell lines. Asian J. Chem 2020, 32 (4), 887 - 95.

In present study, three alkylamino substituted hydroxynaphthoquinone analogues of naturally occurring bioactive lapachol are synthesized. Further, copper(II) complexes of these ligands have been synthesized using hassle free modified grindstone method. Both ligands and copper(II) complexes were characterized using UV - visible spectroscopy, FTIR, elemental analysis and NMR spectra. Cell viability assay of the compound was carried out against growth of MDA - MB - 231 human breast cancer cell lines. A better tumorocidal activity was observed for ligands and their copper(II) complexes in concentration of 2.95 to 0.11 mmol/L. Antineoplastic activity of copper(II) complexes was found to be more than parent ligands. Antimicrobial assay results showed that compound exhibit better activity against organisms under study. Antimicrobial susceptibility of compounds was carried out against culture of E. coli K12 (RP4), B. subtilis (pUB110), K. pneumoniae and S. paratyphi. The lowest MIC of < 0.20 mg/mL was obtained for L - 3 against S. paratyphi. Cyclic voltammetry of ligand and complexes performed in non - aqueous system shows that ligand exhibits classical two step redox couple corresponds to the formation of semiquinone and catechole moieties in solution state at characteristic potential values. Whereas cyclic voltammogram of copper(II) complexes exhibit additional peak at characteristic potential corresponds to reversible redox reaction of central Cu(II) ion in complexes.

17 illus, 7 tables, 30 ref

047748   PADINHATTAYIL S, RAI K S (Univ of Mysore,, Tubinakere, Mandya - 571402, Email: sheshapparai19@gmail.com) : Fabrication of graphene oxide/zinc oxide hybrid nanocomposite and assessment on structural, thermal and optical characterizations. Asian J. Chem 2020, 32 (4), 881 - 6.

The present work provides a selective review of research activities that focus on the graphene oxide (GO) and zinc oxide (ZnO) hybrid nanomaterials and their physical characterizations. The graphene oxide nanoparticle was prepared by modified Hummer?s method and the nanohybrids of GO/ZnO prepared by chemical method. Nanohybrids were characterized by thermogravimetric analyzer to find the thermal stability of the hybrid material, the structural nature and crystal size by P - XRD, functional group identification and surface morphology by using FTIR & SEM technique. This method provides a facile method to synthesize the nanohybrid and will be freely extended to do the research on other class of hybrids based of graphene oxide.

8 illus, 2 tables, 53 ref

047747   SINGH M, TIWARI D P, BHAGAT M (Chemical Engineering Dep, Deenbandhu Chhotu Ram Univ of Science and Technology, Murthal - 131039, Email: maninder.singh5004@gmail.com) : Adsorption of Cr(VI) ions using activated carbon produced from indian water chestnut (Trapa natans) Peel Powder. Asian J. Chem 2020, 32 (4), 876 - 80.

The indiscriminate discharge of heavy metals into water and soil from anthropogenic practices is becoming prominent threat to the environment. Heavy metals like chromium, cadmium, lead, arsenic, nickel etc. are heavily toxic and carcinogenic in nature. This study emphasizes the adequacy of activated water chest nut (Trapa natans) peel powder as a new adsorbent material for removal of chromium(VI) metal ions. Adsorption experiments were performed in batch process. Various process parameters like contact time, temperature, solution pH, dose of adsorbent, metal ion concentration etc. were optimized. The physico - chemical properties of adsorbent material were characterized by FTIR and XRD. The morphology, topology of adsorbent surface was characterized by scanning electron microscopy (SEM) and Brunauer, Emmett and Teller (BET) which revealed a highly porous structure and available specific surface area. The adsorption capacity (maximum) was counted as 59.17 mg/g and specific surface area was found 23.467 m2 /g at a pH 7. The adsorption process for Cr(VI) ions was in a good agreement with Langmuir isotherm. The process also followed pseudo second order kinetics. The obtained result shows that activated water chest nut (Trapa natans) peel powder (AWCPP) can be a hopeful low - cost and eco - friendly bio - adsorbent for removal of Cr(VI) metal ions and also better adsorbent than other various reported adsorbents.

9 illus, 1 table, 31 ref

047745   TAN L V, THAM N T H, TRAN V T, UYEN D T T, VU P G, SY D T, DANH V T, TIEN N A, VO D V N, NGUYEN T D (Nguyen Tat Thanh Univ, Ho Chi Minh City, Vietnam, Email: ndtrinh@ntt.edu.vn, nguyenduytrinh86@gmail.com) : Adsorption Behaviours of Anionic Azo Dye (Congo Red) from aqueous solution on magnetic expanded graphite material (EG@CoFe2O4) Composites. Asian J. Chem 2020, 32 (4), 865 - 70.

In this paper, a potentiality of magnetic expanded graphite material (EG@CoFe2O4) for the adsorptive removal of Congo red, an anionic azo dye, from aqueous solution was studied. The experiments were carried out in batch mode in which various experimental conditions including contact time, initial dye concentration, adsorbent dosage and pH were varied and their influences on the adsorption yield were investigated. The surface of the adsorbent before and after the removal of the dye was characterized by using FT - IR analysis. Maximum adsorption of dye was achieved at pH 6. The adsorption capacity of Congo red onto EG@CoFe2O4 was found to be as high as 101.2 (mg/g), which is higher than the adsorption capacity of the CoFe2O4 (45.7 (mg/g)). These results suggested the use of expanded graphite materials as an efficient adsorbent for decontamination of Congo red dye from factory effluents.

5 illus, 1 table, 41 ref

047744   PORCHEZHIYAN V, KALAIVANI D, SHOBANA J, NOORJAHAN S E ( Chemistry Dep, Guru Nanak Coll, Velachery, Chennai - 600042, Email: noorjahan.se@gurunanakcollege.edu.in) : Synthesis, characterization, in silico and in vitro evaluations of symmetrical 1,3 - diketones. Asian J. Chem 2020, 32 (4), 853 - 64.

1,3 - Dicarbonyl compounds have gained significant importance since they are abundantly available in the natural products and possess myriad biological activities. The new symmetrical 1,3 - diketones bearing L - proline, 2 - methyl - 5 - iodobenzoic acid, piperidine - 3 - carboxylic acid and naphthalene - 1 - acetic acid moieties were synthesized by coupling reaction of appropriate ketone with N - acyl triazole in the presence of MgBr2?Et2O and DIPEA. The chemical structure of the compounds were confirmed from the spectral data such as 1 H, 13C NMR, FT - IR and HRMS. Molecular docking studies were carried out for all the compounds with tumor associated protein tyrosine kinase - 6 (PTK6) and inflammatory protein cyclooxygenase - 2 (COX2). The in vitro evaluation was carried out using breast cancer cell lines (MTT assay) and HRBC stabilization assays. During in silico studies, the ki values obtained against PTK6 and COX2 for (5a - d) compounds were in the range ( - 7.5 to - 10.6) and ( - 7.6 to - 9.8) kcal/mol, respectively. The compound 5d was selected for MTT assay, since it exhibited the highest binding affinity ( - 10.6 kcal/mol) against PTK6 and gave IC50 - 2.4 ?g/mL against breast cancer cell lines. The HRBC stabilization of all the compounds (5a - 5d) were in the range (59.28 - 93.4) %, with highest stabilization value by 5d, which also displayed higher binding affinity with - 7.6 kcal/mol towards COX2. Thus, the synthesized symmetrical 1,3 - diketones with suitable functionality can be both anticancer and anti - inflammatory agents.

4 illus, 4 tables, 24 ref

047743   MARY R N, NAZARETH R, MURTHY P K, SUCHETAN P A ( Chemistry Dep, Bapatla Engineering Coll, Bapatla - 522102, Email: pasuchetan@gmail.com) : Experimental and Theoretical Study of Corrosion Behaviour of Maraging Steel in 1 M HCl in Presence of 5 - Methyl - 4 - [(E) - (thiophen - 2 - ylmethylidene)amino] - 4H - 1,2,4 - triazole - 3 - thiol. Asian J. Chem 2020, 32 (4), 845 - 52.

The inhibitory action of a synthesized Schiff base (5 - methyl - 4 - [(E) - (thiophen - 2 - ylmethylidene)amino] - 4H - 1,2,4 - triazole - 3 - thiol) [MTATT] on the corrosion behaviour of maraging steel in 1 M HCl was investigated by electrochemical techniques like Tafel polarization studies and electrochemical impedance spectroscopy. According to experimental data, inhibition efficiency increased with increase in temperature and concentration of the inhibitor where MTATT acts as a mixed type inhibitor. The mode of inhibitor adsorption on maraging steel follows Langmuir adsorption isotherm. The calculated thermodynamic and activation parameters suggested chemisorption mode of inhibitor adsorption. Scanning electron microscope technology with energy dispersive X - ray spectroscopy (SEM - EDX) studies confirmed the adsorption of inhibitor molecule on the surface of maraging steel. Several global reactivity parameters were calculated using DFT method at B3LYP/6 - 311++(d,p) basis set. Theoretical calculations are in good concurrence with the experimental results.

8 illus, 6 tables, 53 ref

047742   ASHOK D, RAMAKRISHNA K, NAGARAJU N, DHARAVATH R, REDDY M R, SARASIJA M ( Chemistry Dep, Osmania Univ, Hyderabad - 500 007, Email: ashokdou@gmail.com ) : Microwave - Assisted Synthesis of 2 - (5 - (5 - (4 - Substituted phenyl) - 2 - (5 - methoxy2H - chromen - 3 - yl) - 1H - imidazol - 1 - yl)alkyl) - 1H - benzo[de]isoquinoline1,3(2H) - dione Derivatives and their Antimicrobial Activity. Asian J. Chem 2020, 32 (4), 839 - 44.

A method for the synthesis of several imidazoles containing isoquinoline scaffolds under conventional and microwave irradiation methods. In the microwave irradiation method gives higher yields with in shorter reaction time as compared to conventional heating method, using green solvents and eco - friendly reaction conditions. All the synthesized derivatives were characterized by IR, NMR and Mass spectral analysis. Furthermore, the title compounds were screened for their in vitro antimicrobial activity against bacteria such as Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Klebsiella pneumonia as well as fungi such as Aspergillus niger, Aspergillus flavus and Fusarium oxysporum. The compounds 8a, 8d, 8e and 8h exhibited better antimicrobial activity against all organisms.

2 tables, 25 ref

047741   LOUISE I S Y, SUYANTA, LAKSONO E W (Chemistry Education Dep, Univ Negeri Yogyakarta, Yogyakarta 55281, Indonesia, Email: isana_supiah@uny.ac.id) : Electrochemical production of hydrogen in fermented flour by stainless steel electrode. Asian J. Chem 2020, 32 (4), 835 - 8.

Hydrogen gas production with an electrochemical method requires more energy. This research aimed to determine the efficiency of the electrolysis process in product and energy consumptions using stainless steel as a working electrode and various concentration of the fermented flour as the media. The fermented flour was prepared by fermentation of Manihot utilissima with Monascus sp. and characterized by infrared spectroscopy. The stainless steel was characterized by voltammetry, SEM - EDX, XRD and gas sorption analyzer. The results showed that stainless steel activity was decreased in the fermented flour because the surface of stainless steel was being covered. Moreover, addition of 0 - 2 g/L water fermented flour had relatively similar stainless steel activity. The cathodic current peaks were at - 4.86 ? 10 - 4 and - 4.87 ? 10 - 4 mA, respectively, for 0 and 2 g/L media. The processes had consumed the same energy with - 0.0996 V of cathodic peak potential.

4 illus, 2 tables, 23 ref

047740   MOULA M T, NATH R K, CHOWDHURY M M, SIDDIQUE M A B ( Chemistry Dep, Chittagong Univ of Engineering & Technology, Chattogram - 4349, Bangladesh, Email: rkn_chem@yahoo.com) : An overview of river side pollutants and their effects on physico - chemical changes in water quality of River Halda, Bangladesh. Asian J. Chem 2020, 32 (4), 827 - 34.

Halda is an important river of Bangladesh, is now polluted in different ways through industrial, agricultural, domestic and sewage disposal. Increased anthropogenic activities have increased the potential pollution of the river and excessive pollutants may be toxic to humans and aquatic fauna. Presence of heavy metals in the river water causes perilous impact on the aquatic organisms. Hence, regular monitoring of pollution levels in the river is indispensable. In this study, we discuss about physico - chemical assessments of water quality parameters viz. pH, dissolve oxygen (DO), biochemical oxygen demand (BOD), chemical oxygen demand (COD), total solid (TS), total suspended solid (TSS), total dissolved substance (TDS), total alkalinity, turbidity, salinity, electrical conductivity (EC), hardness, chloride and heavy metals in the water of Halda river during rainy and winter seasons, at different points; sources of pollutants in water and their effects given starting from the early research until the current research.

3 tables, 27 ref

047739   DHILIP P, NITHTHIYANANDA M, SETHUPATHI N, MAHALINGAM P ( Chemistry Dep, Arignar Anna Government Arts Coll, Namakkal - 637002) : Alternate layers of cobalt doped tungsten oxide and reduced graphene oxide composite as electrode material for supercapacitor . Asian J. Chem 2020, 32 (4), 822 - 6.

Composites consist of layers of cobalt doped tungsten oxide and reduced graphitic oxide was prepared using jet nebulized spray pyrolysis technique. A mixture of ammonium tungstate and cobalt acetate solution was coated on glass substrate at 380 ?C using jet nebulized spray pyrolysis technique. Spray technique is used to form the reduced graphene oxide (rGO) layer over the first layer and again ammonium tungstate and cobalt acetate solution coated over the surface of rGO and then calcined in nitrogen atmosphere at 450 ?C for 2 h. The composite were characterized using XRD, SEM, PL, CV and EIS studies. The SEM and XRD reveal the layered structure. Cyclic voltammetry reveals the high specific capacitance 500 Fg - 1 at 5 mV s - 1 scan rate for 2 M Na2SO4 as electrolyte. Layered structure of CoWO4/rGO/CoWO4 composite enhances the specific capacitance. EIS gives the electrical series resistance of 7.9 ?. The layered CoWO4/rGO/CoWO4 composite can be suitable electrode materials for supercapacitor.

5 illus, 31 ref

047738   SRIDEVI C, KARTHIKEYAN P, DHIVYAPRIYA D, MITU L, MAHESWARAN P, SATHISHKUMAR S ( Chemistry Dep, Sri Vijay Vidyalaya Coll of Arts and Science, Dharmapuri - 636 807, Email: sathish.sskg@gmail.com) : Microflower like zinc oxide/cerium, lanthanum substituted hydroxyapatite bilayer coating on surgical grade stainless steel for corrosion resistance, antibacterial and bioactive properties. Asian J. Chem 2020, 32 (4), 815 - 21.

The growing evidence of beneficial role of zinc in bone has increased the interest of developing zinc - containing biomaterials for medical applications and specifically biocompatible coatings that can be deposited on metallic implants to benefit from their load - bearing capabilities. In present work, zinc oxide/cerium, lanthanum substituted (ZnO/Ce,La - HAP) hydroxyapatite bilayer coatings have been fabricated by electrodeposition technique. As developed, ZnO/Ce,La - HAP bilayer coatings were then structurally, morphologically and chemically characterized using Fourier - transform infrared spectroscopy(FT - IR), X - ray diffraction (XRD), higher resolution scanning electron microscopy (HRSEM) and energy dispersive X - ray spectroscopy (EDAX). The properties of corrosion performance of 316L SS were explored in Ringers solution using electrochemical analysis. The potentiodynamic polarization and impedance analysis demonstrated that the anticorrosion behavior of 316L SS was significantly increased by the bilayer coating. Cell viability in vitro, antibacterial activity and live/dead assay of ZnO/Ce,La - HAP bilayer coating were investigated. Hence, development of ZnO/Ce,La - HAP bilayer coating on 316L SS to make it suitable for biomedical applications.

7 illus, 28 ref

047737   SANTI D, TRIYONO, TRISUNARYANTI W, FALAH I I ( Chemistry Dep, Univ Gadjah Mada, Yogyakarta 55283, Indonesia, Email: d.santi@unipa.ac.id, triyn102@ugm.ac.id) : Template - free synthesis of porous carbon from merbau wood by H2O2 - ZnCl2 hydrothermal treatment. Asian J. Chem 2020, 32 (4), 810 - 4.

Zinc(II) chloride, as an activating agent and H2O2 as an oxidizing agent, prepared the hydrothermal treatment synthesis of porous carbon (HC). The hydrothermal followed by carbonization and then by oxidation at 350 ?C under oxygen stream (HC - Ox). All the products characterized by XRD, FT - IR, amount of oxygenated functional groups (OFGs) obtained by the Boehm method, the total acid amount by NH3 base vapour adsorption, surface area analyzer (SAA) and SEM. The XRD results showed that all of the carbonized samples were amorphous, which characteristic for porous carbonized. The results of FT - IR and Boehm titration revealed that the phenolic group was the highest contributor to OFGs on HC - Ox samples (7.095 meq/g) and carboxylic groups of 2.685 meq/g. The maximum BET surface area was found to be 443.5 (m2 /g) for C - Ox and 232.2 (m2 /g) for HC - Ox. The SEM image displayed that the morphology of the HC samples was a stacking honeycomb - like structure.

6 illus, 1 table, 29 ref

047736   NUSUWAN P, JITTANGPRASERT P, KUNO M, PUMSA - ARD K, TONGRAUNG P ( Chemistry Dep, Srinakharinwirot Univ, Bangkok 10110, Thailand, Email: pan15164649@gmail.com) : Dual detection highly selective colorimetric chemosensors for fluoride and copper(II) Ions based on imine - phenol derivative. Asian J. Chem 2020, 32 (4), 803 - 9.

A simple dual detection using colorimetric chemosensor, imine - phenol derivative L (bearing a 2 - iminephenol group as a binding unit and a - nitrophenylazo group as a signaling unit), were synthesized for a high yield in two simple steps. Complexations of chemosensor L with various anions in acetonitrile solvent and other metal ions in DMSO/H2O solvent were monitored by UV - visible spectroscopy. The results indicated that the chemosensor L showed high selectivity for F? and Cu2+ ions. Furthermore, the complexes for L - F? and L - Cu2+ were evaluated by computational chemistry using a B3LYP/6 - 31G (d,p) and a B3LYP/6 - 311G (d,p) level of calculation. The complexes between L with F? and Cu2+ were magenta and yellow colored, respectively. Chemosensor L can be applied for the analysis of F? and Cu2+ ions with naked - eye detection making colour comparisons between the standard and the real sample. Most importantly, semi - qualitative detection of Cu2+ in water solution were successfully carried out with the developed test kit using chemosensor L.

9 illus, 2 tables, 33 ref

047735   TEJESWARARAO D, SRIKANTH B ( Chemistry Dep, GMR Institute of Technology, Rajam - 532 127, Email: tejeswararao.d@gmrit.edu.in) : SnCl2 catalyzed direct synthesis of pyrroles under aqueous conditions. Asian J. Chem 2020, 32 (4), 795 - 802.

Synthetic substituted pyrroles are related with interesting biological activities, yet they remain inadequately explored within drug discovery. Late years have seen a growing interest in synthetic approaches that can provide access to structurally novel pyrroles so that the biological usefulness of this compound class can be more fully investigated. Herein, an efficient and versatile practical protocol for the pyrroles using stannous(II) chloride dihydrate as catalyst is described under aqueous conditions at 55 ?C in high yields. Also, this method is applicable for the preparation of diversity and oriented pyrrole derivatives.

2 tables, 37 ref

047734   SOMAIYA C P, PATEL D S, JANI D H (Shree P.M. Patel Institute of Post Graduate Studies and Research in Science, Anand - 388 001, Email: somaiyachintan11@gmail.com) : Synthesis, spectroscopic, thermal and in vitro antimicrobial activity of fe(III) and mn(III) metal complexes of semicarbazone. Asian J. Chem 2020, 32 (4), 789 - 94.

In this work novel pyrazolone based semicarbazone derivatives and their spectroscopic and biological activities were investigated. Pyrazolone based semicarbazone ligands and their Fe(III) and Mn(III) heterochelates were synthesized. The structure of semicarbazone ligands were confirmed by 1 H NMR, IR, elemental analysis and their heterochelates were confirmed by thermal studies (TGA/DTG & DSC) and FAB mass spectroscopy. All the ligands and heterochelates were screened for antimicrobial study against Gram positive (Bacillus megaterium, Bacillus subtilis) and Gram negative (E. coli, Klebsiella) microorganisms. The results confirmed that semicarbazone based heterochelates have a great potential and significant for further investigation.

5 illus, 3 tables, 45 ref

047733   KALAIVANI P L, ARIKRISHNAN J, GOPALAKRISHNAN M ( Chemistry Dep, Annamalai Univ, Chidambaram - 608 002, Email: mgkrishnan61@gmail.com, kalaivanichem9@gmail.com) : Design, synthesis, molecular docking and antimicrobial evaluation of some tosyl carbamate derivatives. Asian J. Chem 2020, 32 (4), 783 - 8.

A series of tosyl carbamates have been synthesized and screened for their antibacterial and antifungal activities. All the synthesized compounds were characterized by spectral techniques (IR, 1 H, 13C NMR and mass) and elemental analysis. in silico Molecular docking method was performed to study their antimicrobial activity against the target protein 1T9U. Compound 27 showed good antibacterial activity against Gram - positive and Gram - negative bacterial strains and compound 19 showed good antifungal activity. Molecular docking results revealed that the compound 19 exhibits minimum CDOCKER energy. Tosyl carbamate derivatives having good antimicrobial activities compared to that standard and all the synthesized compounds exhibits moderate CDOCKER scores.

3 illus, 2 tables, 50 ref

047732   SONAWANE R S, PATIL K D, PATIL A V (Smt. S.S. Patil Coll of Pharmacy, Chopda - 425 107, Email: avinashay_princ@rediffmail.com) : Design, synthesis and pharmacological evaluation of novel imidazopyridine analogues as proton pump antagonist. Asian J. Chem 2020, 32 (4), 776 - 82.

A series of novel imidazopyridine derivatives as proton pump inhibitors was designed with compounds of CID data base and explored considering AZD0865 as standard. Many compounds were identified and docked in proton pump ATPase pocket (PDB ID: 4ux2). Molecular docking studies revealed that many compounds showed good proton pump ATPase inhibitory activity. The docking poses revealed the interaction of ligands with amino acid. The standard drug AZD0865 had docking score of - 7.112302 and displayed interactions with Asn138 and Asp137. A series of novel imidazopyridine derivatives as proton pump inhibitors were docked, synthesized and characterized by IR, NMR, CHN and MS spectral analysis. The target imidazopyridines were prepared from substituted 2 - aminonicotinic acid and 2 - bromo - 1 - substituted ethanone. in vitro Studies explained that few compounds exhibited moderate to good proton pump ATPase inhibitory activity in comparison with the reference drugs i.e. AZD0865. Compounds 11 and 12 shown higher activities with the IC50 4.3. Compounds 1, 4, 6, 7, 8, 10 and 13 showed weak anti - ulcer activity with its IC50 5.2, 5.8, 5.5, 5.1, 4.9, 4.6 and 5.9 and positive control AZD0865 shown IC50 2.0.

2 illus, 1 table, 27 ref

047731   ALSAIARI R A ( Chemistry Dep, Najran Univ, Sharurah, Saudi Arabia, Email: raalsayari@nu.edu.sa) : Supported ruthenium and tetrapropylammonium bromide catalysts for oxidative carboxylation of 1 - decene. Asian J. Chem 2020, 32 (4), 771 - 5.

Cyclic carbonate compounds are valuable for a range of applications and can be synthesized by a one - pot reaction involving epoxidation of olefin followed by reaction of the epoxide with CO2. This study used supported ruthenium catalysts for the epoxidation step (first step), where a combination of tetrapropylammonium bromide and zinc bromide was used for the cycloaddition of carbon dioxide. The supported ruthenium catalyst, prepared by a sol - immobilization method, allowed the effective epoxidation of 1 - decene in air (using oxygen as the main oxidant) at 90 ?C in the presence of a catalytic quantity of radical initiator. This approach was applied to the one - pot multi - step oxidative carboxylation of 1 - decene in the presence of 1 % Ru/support - Pr4NBr/ZnBr2 catalyst.

3 illus, 4 tables, 22 ref

047730   USMAN U, SOEKAMTO N H, NATSIR M, MAULIDIYAH M ( Chemistry Dep, Univ Halu Oleo, Indonesia, Email: maulid06@yahoo.com) : Isolation of natural derivated steroidal from bark stem of melochia umbellata (Houtt) Stapf var. degrabrata K.. Asian J. Chem 2020, 32 (4), 765 - 70.

Exploration of the natural product as pharmaceutical drug widely discover continuously for human life. The unique chemical compounds have been explored from bark stem of Melochia Umbellata (Houtt) Stapf var. degrabrata K. (M. umbellata) which is obtained from South Sulawesi, Indonesia. We discovered two group compounds isolated namely stigmasta - 5,22 - dien - 3 - ? - ol (1) and stigmasta - 5,22 - dien - on (2), from n - hexane and chloroform extracts. The chemical structure of compounds 1 and 2 were identified based on IR spectroscopic, 1 H NMR and 13C NMR and compared spectra data with data of compounds by other researchers. Compounds 1 and 2 are evaluated of their toxicity activity against shrimp larvae (Artemia salina) shows that the compound 1 shows weak toxicity activities against Artemia salina with LC50 value of 548.48 ?g/mL, meanwhile the compound 2 exhibits a high inhibitory by LC50 value of 410.81 ?g/mL. Based on this study, we suggest that the compound 2 has good bioactivity compared with compound 1.

1 illus, 2 tables, 29 ref

047729   SAVITHA K, VEDANAYAKI S ( Chemistry Dep, Kandaswami Kandar?s Coll, Paramathi Velur (Tk) - 638 182, Email: varshuvishal@gmail.com) : Synthesis, structural investigations and antimicrobial activities of homo binuclear complexes derived from 2 - amino - 4 - chlorophenol. Asian J. Chem 2020, 32 (4), 759 - 64.

Co(II), Ni(II) and Cu(II) homo binuclear Schiff base metal complexes were synthesized from terephthalaldehyde and 2 - amino - 4 - chlorophenol in methanol using template method. The structure of the ligand and its metal complexes were established by elemental, molar conductance, UV, magnetic moment, IR, 1 H & 13C NMR, EPR, mass, thermal and PXRD. Molar conductance values showed that all complexes were non - electrolytic in nature. The IR spectral data provides the coordination of azomethine nitrogen and oxygen with central metal ion. UV, ESR and magnetic moment values suggest square planar geometry for Co(II), Ni(II) and Cu(II) complexes. TGA and DSC analysis data show the thermal stability of the ligand and its metal complexes. The crystalline nature of ligand and its metal complexes were investigated by powder - XRD. The DNA cleavage activities of all the complexes assayed on PUC18 DNA shows nuclease ability.

5 illus, 2 tables, 59 ref

047728   WAHYUNI S, ANTASIONASTI I, KHAERUNI A, PRISCILLA P A, PITUNANI M, DEWI N D P (Food Science and Technology Dep, Halu Oleo Univ, Southeast Sulawesi, Indonesia, Email: sri.wahyuni@uho.ac.id, sriwahyuni_aan@yahoo.com) : Modification of Tannia (Xanthoxoma sagittifolium) starch using lactic acid bacteria and its application for cookies products. Asian J. Chem 2020, 32 (4), 753 - 8.

This work was performed to evaluate the physico - chemical properties of modified tannia flour (MTF) with lactic acid bacteria. Physicochemical properties of MTF by analyzing the degree of acidity, swelling power and solubility, functional group analysis by FTIR and XRD patterns, then determine proximate composition of MTF cookies. Modified tannia flour is indicated by intensity decreased of the FTIR and XRD patterns during fermentation. Proximate composition of MTF and cookies with moisture, ash, fat, protein and glucose content products approximately, respectively 7.63 ? 0.05 %, 2.94 ? 0.02 %, 0.01 ? 0.21 %, 0.86 ? 0.09 %, 43.00 ? 0.14 % and 8.76 ? 0.22 %, 2.67 ? 1.18 %, 48.07 ? 0.23 %, 16.52 ? 0.03 %, 9.08 ? 1.77 %. Physico - chemical properties of MTF with lactic acid bacteria had pH of MTF decreased but swelling power and solubility increased during fermentation and pasting characteristics were modified, so MTF can be applied for making cookies product, where the addition of anchovy meat as a source of protein can increase the protein content of cookies product.

3 illus, 5 tables, 35 ref

047727   LINGESWARI U D, VIMALA T ( Chemistry Dep, Seethalakshmi Ramaswami Coll, Tiruchirappalli - 620 002, Email: vimalsrc@gmail.com) : Isotherm, kinetics and thermodynamic study of adsorption of phthalocyanine and Azo Dyes by CoCl2 Doped Polyaniline. Asian J. Chem 2020, 32 (4), 746 - 52.

In this work, CoCl2 doped polyaniline was prepared using chemical oxidation method and used as an effective adsorbent for the removal of industrial dyes reactive blue 21 and reactive red 180. The adsorption experiments were performed with the variation of initial concentrations of dyes, pH of the solution, weight of adsorbent, temperature and agitation speed. Isotherm analysis, evaluating the correlation coefficients by ANOVA technique, kinetic study and calculation of thermodynamic parameters are carried out. Furthermore, the adsorption density of dyes onto PANI - CoCl2 adsorbent is characterized by SEM and FTIR. This study is compared with other previous works to establish that PANI - CoCl2 is an efficient adsorbent to remove dye from aqueous solution.

6 illus, 6 tables, 41 ref

047726   IYAPPAN M, KUMAR E D, ANBUSELVAN C ( Chemistry Dep, Government Arts Coll, Chidambaram - 608 102, Email: cas_amu@yahoo.co.in) : Novel Schiff Base of E - 2 - (((4 - Aminophenyl)imino)methyl) - 5 - (difluoromethoxy)phenol Fluorescence Chemosensor for Detection of Al3+, Fe2+, Cu2+ Ions and its Application towards Live Cell Imaging. Asian J. Chem 2020, 32 (4), 739 - 45.

A Schiff base compound E - 2 - (((4 - aminophenyl)imino)methyl) - 5 - (difluoromethoxy)phenol was synthesized and characterized by FT - IR, 1 H and 13C NMR, ESI - mass spectroscopy. The synthesized compound also selectively detects Al3+, Fe2+ and Cu2+ without any interference of other metal ions. Fluorescence titrations carried out to find the selectivity of Al3+, Fe2+ and Cu2+ in turn - on system, with binding modes of 2:1 complex, confirmed by Job?s plot. The presence of metal ions Al3+, Fe2+ and Cu2+ with receptor conformed by ESI - MS spectrum, which changed the base value at 298.00 m/z. Moreover, among the binding constant of three metals calculated (20 ?M), Al3+ showed a high value of 5.7 ? 104 M - 1 compared to Fe2+ and Cu2+ metal ions. Prominently, the cytotoxicity activities of probe with HeLa cells were also calculated.

15 illus, 53 ref

047725   MANURUNG R, TASLIM, SIREGAR A G A (Chemical Engineering Dep, Univ Sumatera Utara, Medan 20155, Indonesia, Email: alwigery10@gmail.com) : Deep eutectic solvents based choline chloride for enzymatic biodiesel production from degumming palm oil. Asian J. Chem 2020, 32 (4), 733 - 8.

Deep eutectic solvents (DESs) have numerous potential applications as cosolvents. In this study, use of DES as organic solvents for enzymatic biodiesel production from degumming palm oil (DPO) was investigated. Deep eutectic solvent was synthesized using choline chloride salt (ChCl) compounds with glycerol and 1,2 - propanediol. Deep eutectic solvent was characterized by viscosity, density, pH and freezing values, which were tested for effectiveness by enzymatic reactions for the production of palm biodiesel with raw materials DPO. Deep eutectic solvent of ChCl and glycerol produced the highest biodiesel yield (98.98%); weight of DES was only 0.5 % of that of the oil. In addition, the use of DES maintained the activity and stability of novozym enzymes, which was assessed as the yield until the 6th usage, which was 95.07 % biodiesel yield compared with the yield without using DES. Hence, using DES, glycerol in enzymatic biodiesel production had high potentiality as an organic solvent for palm oil biodiesel production.

5 illus, 3 tables, 23 ref

047724   SHARMA H, KUMAR R, VISHWAKARMA M C, JOSHI S K, BHANDARI N S ( Chemistry Dep, Kumaun Univ, Almora - 263601, Email: sharmaharish887@gmail.com, rathourrajesh22july@gmail.com) : Biosorptive Removal of Cu(II), Cd(II) and Pb(II) ions from synthetic wastewater using low cost biosorbent (Pyras Pashia): thermodynamic and equilibrium studies. Asian J. Chem 2020, 32 (4), 727 - 32.

In present study, Pyras pashia leaves were used as low cost biosorbent to study biosorption of Cu(II), Pb(II) and Cd(II) ions from contaminated wastewater. In the employed batch methods pH, contact time, metal ion concentration, temperature, biosorbent doses were taken as study parameters. The pH was varied from pH 1 - 9 to study the influence of pH on biosorption of metal ions by Pyras pashia. The optimum pH for the removal of Cu(II), Pb(II) and Cd(II) is observed at pH 5. The biosorption equilibrium time was varied between 15 - 75 min. Langmuir, Freundlich and Temkin isotherms were employed to study the biosorption. The biosorption parameter fits well with Langmuir isotherm. The biosorption of metal ions was increased with increasing biosorbent dose and contact time while increase in pH, metal ion concentration and temperature decrease the biosorption. Thermodynamic data suggest that the bisorption process was spontaneous, feasible and endothermic.

7 illus, 4 tables, 45 ref

047723   KUMAR A, PANDEY A, MISHRA A ( Chemistry Dep, Lucknow Univ, Lucknow - 226 007, Email: mishraanil101@hotmail.com, ashutosh.chemist@gmail.com) : Computational Study of Novel 2,3 - Bis[(1 - methyl - 1H - imidazole - 2 - yl)sulfanyl]quinoxaline: Structural Aspects, Spectroscopic Investigation, HOMO - LUMO, MESP, NLO, ADMET predictions and molecular docking studies as potential biotin carboxylase and antibiotics resistant aminoglycoside phosphotransferase APH(2")IVA enzyme inhibitor. Asian J. Chem 2020, 32 (3), 706 - 26.

In this paper, a complete quantum chemical calculation has been done to describe the relevant structural aspects of novel 2,3 - bis[(1 - methyl - 1H - imidazole - 2 - yl)sulfanyl]quinoxaline with combination of DFT/B3LYP method 6 - 311++G(d,p) basis set in gas phase and in solvent phase. The molecular structure was examined by using IR, 1 H & 13C NMR and UV - visible techniques and solvent effect on spectroscopic properties are also discussed. The vibrational assignments are analyzed by PED using Gauss View 5.0 and VEDA 4.0 program. The 1 H NMR and 13C NMR chemical shifts are calculated using the gauge - independent atomic orbital method (GIAO method) in gas phase and in solvents (water, DMSO and chloroform). The UV spectrum is calculated by using TD - DFT/6 - 311++G(d,p) method in gas phase and in solvent (water, DMSO and chloroform) using IEF - PCM model. With the help of theoretical calculations chemical activities, electrophilic/nucleophilic nature and sites in the molecule, molecular and chemical properties that cannot be obtained by experimental way are obtained. Accordingly, molecular electrostatic potential (MESP), hardness (?)/softness (S) parameters, net charges analyses are investigated to gain electrophilic and nucleophilic nature. Also the sites in molecule and Fukui function analysis are discussed. The dipole moment (?), polarizability (?tot), anisotropic polarizability (??) and first - order hyperpolarizability (?tot) of the title compound are reported and results shows that the material is capable to generate non - linear effect (NLO). The in silico study of all the biological and ADMET properties of title molecule are also discussed and compared with reference drug ciprofloxacin antibiotics. The title molecule and reference drug ciprofloxacin docked with biotin carboxylase enzyme (PDB ID: 2V59) of E. coli and aminoglycoside phosphotransferase APH(2")IVA (PDB ID: 4DFU) of Enterococcus casseliflavus receptor with the help of Molegro molecular viewer 2.5 program and binding affinity (?G) were determined by ParDock server.

15 illus, 16 tables, 86 ref

047721   MOON D, JEON S, RYOO K S, CHOI J ( Chemistry Dep, Andong National Univ, Andong 36729, Republic of Korea, Email: jhchoi@anu.ac.kr) : Synthesis, crystal structure and hirshfeld surface analysis of 3,14 - dimethyl - 2,6,13,17 - tetraazatricyclo(16.4.0.07,12)docosane - 2 - (nitric acid). Asian J. Chem 2020, 32 (3), 697 - 702.

The crystal structure of 3,14 - dimethyl - 2,6,13,17 - tetraazatricyclo(16.4.0.07,12)docosane - 2 - (nitric acid), C20H40N4?2(NO2OH) had been determined using synchrotron radiation at 220 K. The compound crystallized in the space group P21/n of the monoclinic system with two mononuclear formula units in a cell of dimensions a = 9.1930(18), b = 10.120(2), c = 12.979(3) ? and ? = 101.06(3)?. The asymmetric unit contains half a centrosymmetric macrocycle and one nitric acid molecule. There were two molecules in the unit cell. In structure of macrocycle, C - C and N - C bond lengths were in the range 1.5198(19) to 1.5367(18) ? and 1.4744(16) to 1.4986 (16) ?, respectively. The NO2OH group has one longer N - O bond of 1.3441(18) ? and two shorter N - O bond of 1.2509(19) ? and 1.2510(19) ?, and O - N - O angles of 126.31(14)?, 117.98(14)? and 115.71(14)?. The N - H???O and N - H???N hydrogen bonds interconnect macrocycle (C20H40N4) with nitric acid molecules while two O - H???O hydrogen bonds link the nitric acid molecule to neighboring nitric acid molecule each other. The molecule was stabilized by forming intermolecular N - H???O, N - H?N and O - H???O hydrogen bonds. Hirshfeld surface analysis by 3D molecular surface contours and 2D fingerprint plots have been used to analyze intermolecular interactions present in the crystal.

7 illus, 3 tables, 28 ref

047720   ALBALAWI A H, ALMUTAIRI S M, ALJUHANI A, SAHU P K, SAHU P K, REZKI N, AOUAD M R, MESSALI M ( Chemistry Dep, Taibah Univ, Saudi Arabia, Email: mouslim@mail.be ) : Novel Fluorinated Imidazolium Ionic Liquids: Eco - friendly, Facile and Efficient Construction, Characterization, in vitro Anticancer Activity, Toxicity and in silico Analysis. Asian J. Chem 2020, 32 (3), 690 - 6.

An efficient and facile synthesis of novel fluorinated imidazolium - tagged ionic liquids under microwave irradiation is described. Novel prepared ionic liquids was identified and confirmed by spectroscopic and elemental analysis. Synthesized ionic liquids (1 - 12) was explored for their antiproliferative inhibition potency against three selected human cancer cell lines (MCF - 7, HepG - 2 and CACO2). Screening results have revealed that some tested ionic liquids exhibited promising activity compared with standard drugs, especially compounds 5 and 6 which consistently produced low IC50 values. Preliminary structure activity relationship (SAR) studies have been performed to identify the relation between molecular structure and activity. in silico Analysis of ionic liquids was carried out based on ADME, Lipinski rule, drug likeness, toxicity profiles and other physico - chemical properties. All compounds were safe in toxicity profile and computed LD50 values were in accepted range (2.55 - 2.89 mol/kg). in silico Results have shown that Lipinski rule of five was in accept range, except compound 1 and 2.

7 tables, 23 ref

047719   SAMUEL B, PATHAK M (St. Theresa International Coll, Bangkok - 26120, Thailand, Email: blassansamuel@gmail.com) : Synthesis, characterization, stability and cytotoxic evaluation of novel titanium(IV) Complexes of 8 - Hydroxyquinoline and 2 - Hydroxy - N - phenylbenzylamine Derivatives. Asian J. Chem 2020, 32 (3), 683 - 9.

A new class of moisture stable heteroleptic titanium(IV) complexes, synthesized from 8 - hydroxyquinoline of the type [(Q)2Ti(2 - O - 5 - XC6H3CH2NC6H4R] (3a - j), was prepared by reacting the antecedent molecule [(Q2)Ti(OiPr)2] (2) with various 2 - hydroxy - N - phenylbenzylamine analogues in 1:1 molar ratios in dry toluene (where, HQ = 8 - hydroxyquinoline; iPr = isopropyl; R = H, 4 - CH3, 4 - OCH3, 2 - Cl, 4 - Cl, 2 - Br, 4 - Br; X= H, Br). Moisture sensitive study disclosed that these new metal complexes were unreacted for 72 h. Mass spectral data were employed for proving the mono - nuclearity of the new derivatives. Thermal decomposition pattern of the new derivatives was explained by thermogravimetric analyses. Elemental analyses data are in concordance with their expected values. The hexa - coordinated way of titanium - ligand linkage is further proved through NMR, FTIR, and UV - visible spectral studies. The cytotoxic efficiency of new complexes was tested against MDA - MB - 231 human breast carcinoma cell line. Complex 3a exhibited the highest cytotoxic potential of 0.039 ?M in comparison to all its analogues of this series by employing cisplatin as the standard.

3 illus, 2 tables, 25 ref

047717   DEVI R S, KUMARAGURU N ( Chemistry Dep, Periyar E.V.R. Coll, Tiruchirappalli - 620 023, Email: nkguru@gmail.com) : Interaction of CT - DNA with Ruthenium(II) Metallosurfactant Complexes: Synthesis, CMC determination, antitumour and antimicrobial activities. Asian J. Chem 2020, 32 (3), 665 - 77.

To enhance the application of metalosurfactants in the field of drug delivery, it is essential to acquire the role of surfactants in terms of micellization, hydrophobicity, interaction with nucleic acids, reactive changes with abnormal cells and pathogenic organisms. A new class of two ruthenium(II) metallosurfactant complexes [Ru(DMP)2(CA)Cl](ClO4) (1) and [Ru(DMP)2(CA)2](ClO4)2 (2), where DMP = 2,9 - dimethyl[1,10]phenanthroline) and CA = cetyl amine were synthesized and characterized. The critical micelle concentration (CMC) and the thermodynamic parameters of micellization were determined and the variations suggest the expression of hydrophobic interaction in these complexes. The binding affinity of ruthenium(II) metallosurfactant complexes with CT - DNA has been investigated by spectroscopic and viscosity magnitudes. The outcomes expose that the complexes associate with CT - DNA through intercalation mode. Subsequently the complexes were taken for in vitro anticancer and antimicrobial inhibition study against human cervical cancer cell lines (HeLa) and pathogenic microorganisms and found that the complexes exhibited remarkable inhibitory action. The cytotoxic nature of the complexes towards, HeLa cells, was adopted by MTT assay and apoptosis were examined by AO/EB (acridine orange/ethidium bromide) and tryphanblue staining methods showing that complexes affected the viability of the cells significantly.

10 illus, 5 tables, 91 ref

047716   SEKEWAEL S J, WIJAYA K, TRIYONO ( Chemistry Dep, Pattimura Univ, Ambon, Indonesia, Email: sjsekewael@yahoo.com ) : Chemical modification of montmorillonite K10 and Its Catalytic Activity. Asian J. Chem 2020, 32 (3), 659 - 64.

Montmorillonite K10 (Mt - K10) was chemically modified using a silica - zirconia mixture and the resulting product was named SZMK. The product had an increased total surface acidity, catalytic activity, porosity, and thermal stability. Ammonia adsorption tests and further verification with FTIR and TGA/DTA showed that the acidity of SZMK was higher (0.16 mmol/g) than that of Mt - K10. Catalytic performance was analyzed on the esterification reaction of lauric acid. Refluxing lauric acid and methanol (molar ratio of 1:20) for 20 h with a 20 % (w/w) catalyst showed that catalytic activity of SZMK is high, i.e. methyl laurate production 98.18% (w/w) was achieved.

8 illus, 21 ref

047715   ANANDHI S, KEERTHIKA D, EDWARD M L, JAISANKAR V ( Chemistry Dep, Presidency Coll, Chennai - 600 005, Email: vjaisankar@gmail.com) : Synthesis and Characterization of Niobium Oxide Nanoparticles, Polyindole and Nb2O5/Polyindole Nanocomposite. Asian J. Chem 2020, 32 (3), 653 - 8.

In present work, polyindole - Nb2O5 nanocomposite was synthesized and characterized by various analytical methods. Niobium oxide nanoparticles were prepared by sol gel method. Polyindole and Nb2O5 nanocomposites was prepared by chemical polymerization method and the morphology of Nb2O5 nanoparticles, polyindole and the nanocomposite was studied by SEM. The chemical structure of Nb2O5 nanoparticle, polyindole and the nanocomposite was characterized by UV - visible, FTIR and NMR spectroscopic techniques. Elemental composition and chemical character was analyzed by the use of EDAX technique. The X - ray powder diffraction technique was used to determine the degree of crystallinity and crystallite sizes. Thermal analysis such as TGA and DSC showed that the conducting polymers in the nanocomposites were stable even at high temperatures.

7 illus, 1 table, 41 ref

047714   SMITHA T R, BHADRAN T, SHANKER V, PREMA K H ( Chemistry Dep, Santana Dharma Coll, Alappuzha - 688 003, Email: premakh@gmail.com) : Theoretical verification of dielectric and magnetic properties of polyaniline - nickel ferrite nanocomposites synthesized in green medium extracted from the fruit of Tamarindus indica. Asian J. Chem 2020, 32 (3), 646 - 52.

Nanocomposite materials of nickel ferrite incorporated polyaniline (PANI) have been synthesized via in situ oxidative polymerization technique in a green medium extracted from the fruit of plant Tamarindus indica. Synthesized particles were characterized by FT - IR spectroscopy, X - ray diffraction technique and scanning electron microscopy. Various samples of composites were prepared with 5, 10 and 15 g of filler nickel ferrite and the variation in dielectric permittivity is calculated by measuring the capacitance of the materials in various external frequency ranges from 100 Hz to 20 MHz. Experimental values of dielectric property are compared with theoretical values obtained from Maxwell - Wagner equation. The magnetic properties such as saturation magnetization (Ms), magnetic remanance (Mr) and coercivity (Hc) of the samples were analyzed by vibrating sample magnetometer (VSM). Retention of the magnetic filler in the PANI matrix is evaluated by comparing the experimental Ms values of the composites with the values computed from a theoretical linear equation. The experimental results were well fitted with the theoretical values and confirmed the synthesis of PANI - nickel ferrite composites with desired electrical and magnetic properties by varying the amount of components.

13 illus, 1 table, 24 ref

047713   JAYANTHI E, ANUSUYA M, ANUSUYA R, THENMOZHI K, NAGAVENI A, BHUVANESH N S P ( Chemistry Dep, Kongunadu Arts and Science Coll, Coimbatore - 641 029, Email: jayakumar.jayanthi@gmail.com) : Synthesis, structure and antioxidant activity of mixed ruthenium(III) benzoyl pyridine complex. Asian J. Chem 2020, 32 (3), 641 - 5.

A new ruthenium arsine complex was prepared by reacting equimolar ratio of [RuBr3(AsPh3)3] and 2 - benzoyl pyridine. It was characterized by microanalysis, FT - IR and single crystal X - ray diffraction studies. X - ray diffraction data showed the distorted octahedral geometry of the complex. The pyridine nitrogen and carbonyl oxygen of the ligand coordinated with the metal center. Antioxidant activity of the complex was analyzed using different assays, which manifested significant activity. It has been found that a newly synthesized complex possessed better antioxidant activity than the ligand and precursor complex.

5 illus, 2 tables, 35 ref

047712   NI'MAH Y L, DEVEGA W, ULFIN I, HARMAMI H ( Chemistry Dep, Institut Teknologi Sepuluh Nopember, Surabaya, Indonesia, Email: yatimnikmah@gmail.com ) : Synthesis of capsule film from water - soluble chitosan by adding sodium lauryl sulfate. Asian J. Chem 2020, 32 (3), 634 - 40.

Mixtures comprising water - soluble chitosan (WSC), agar and different concentrations of sodium lauryl sulphate (SLS) were used to synthesize capsule films. The concentration of agar was fixed at 0.02 %, whereas the concentration (v/v) of SLS varied (0, 0.02, 0.04, 0.06 and 0.08 %). Shrimp shell waste was subjected to demineralization, deproteination and deacetylation to obtain chitosan. The chitosan thus obtained was depolymerized to produce water - soluble chitosan (WSC). Fourier - Transform infrared (FTIR) baseline method was used for calculating the degree of deacetylation of chitosan. FTIR spectra of the obtained capsule film exhibited vibrations of its constituent molecules, namely agar, chitosan and SLS. The elasticity of the film matrix increased with SLS concentrations. In swelling tests conducted using water and 0.1 N HCl, the highest swelling values, 123.74 and 235.87 %, respectively were observed in the capsule film containing 0.08 % SLS in the 10th min. The capsule film containing 0.08 % SLS was degraded (broken) in water and 0.1 N HCl in the 10th and 30th min, respectively. The results indicated that a capsule film containing 0.08% SLS was the most eligible film for commercial use.

9 illus, 25 ref

047711   GEETE A, SHRIVASTAVA B D, MISHRA A ( Chemistry Dep, Shri Rewa Gurjar Bal Niketan Coll, Khargone - 451 111, Email: anuraggeete.21@gmail.com) : Synthesis, XRD, EXAFS and XANES Study of Cu(II) complexes of aniline dithiocarbamate. Asian J. Chem 2020, 32 (3), 627 - 33.

In present investigation, seven copper(II) complexes were synthesized using various aniline dithiocarbamate. The synthesized Cu(II) complexes were studied for different structural and chemical parameters using XRD, EXAFS and XANES. The output obtained from X - ray studies was synthesized using Athena and Origin 6.0 software. The results of the investigation were used in determining the structures of the synthesized complexes. The particle size of the synthesized complexes ranged between 46.7 and 125.3 nm. The lattice constant of Cu(II) complexes was found 3.61 - 3.62 ?.

6 illus, 6 tables, 17 ref

047710   PRABU D S D, LAKSHMANAN S, THIRUMURUGAN K, RAMALAKSHMI N, ANTONY S A ( Chemistry Dep, Presidency Coll, Chennai - 600 005, Email: rrama_subhar@yahoo.co.in ) : Synthesis, Molecular Docking, DFT Study of Novel N - Benzyl - 2 - (3 - cyano - 4 - isobutoxyphenyl) - 4 - methylthiazole - 5 - carboxamide Derivatives and their Antibacterial Activity. Asian J. Chem 2020, 32 (3), 619 - 26.

A series of febuxostat based new chemical entities was synthesized using microwave method and characterized by NMR, mass and FT - IR spectral studies. Molecular docking of febuxostat amide nucleus substitution compounds 8c ( - 7.91kcal/mol), 8g ( - 7.94 kcal/mol) exhibiting high binding energy against ALK receptors. Theoretical investigation of MEPs, HOMO, LUMO and energy gap of HOMO - LUMO were calculated by B3LYP/6 - 31G method. Among the tested compounds, methoxy substituted compound 8g showed highest antibacterial activity against S. aereus and B. subtilis.

3 illus, 3 tables, 35 ref

047709   LARAYETAN R A, ABDULRAZAQ Y, OKOH O O ( Chemistry Dep, Kogi State Univ, Anyigba, Nigeria, Email: timlarayetan@gmail.com ) : Effect of seasonal variation on the secondary metabolites and antioxidant activity of callistemon citrinus (Curtis) Skeels (Myrtaceae) Grown in Eastern Cape of South Africa. Asian J. Chem 2020, 32 (3), 612 - 8.

Callistemon citrinus belong to the kingdom plantae, family Myrtaceae and genus Callistemon. It grows in Australia but has been naturalized in South Africa. It is used as traditional herb to combat both gastro - intestinal and respiratory diseases, pain, diseases caused by bacteria and fungi infection. About 500 g of the air - dried leaves were pulverized each month and subjected to hydro - distillation using a modified Clevenger apparatus. Hydro - distillation of the fresh leaves of C. citrinus gave a pale yellow volatile oil with a strong scenty fragrance, about 97 components were identified in the 12 treatments analyzed each month. The key components were pinocarvone (1.25 - 6.17 %), pinocarveol (0.10 - 9.56 %), ? - terpineol (5.24 - 9.94 %), ? - pinene (7.45 - 22.75 %), limonene (24.08) and eucalyptol (14.69 - 72.35 %). The compositional profile of the leaves of C. citrinus varied between (January - December). Treatments under investigation revealed markedly qualitatively and quantitatively differences. Antioxidant capacity of the volatile oil of C. citrinus leaves evaluated also demonstrated significance influence of seasonal variation on its activity. The most exigent activity for DPPH free radical scavenging was recorded in the month of September (spring) with an IC50 of 0.50 ? 0.04 mg mL - 1, while the most paramount activity for the ABTS assay was 0.94 ? 0.02 mg mL - 1 in January (summer).The lowest activity were observed in the June (winter) collection with IC50 of 1.45 ? 0.00 mg mL - 1 and 2.19 ? 0.05 mg mL - 1 for DPPH and ABTS assays, respectively. Results show that seasonal variations affected the chemical compositions, oil yield as well as antioxidant activities of the volatile oil of the leaves of (C. citrinus); therefore, it is important to consider such effects for industrial and therapeutic purposes.

1 illus, 2 tables, 45 ref

047708   HAYUN H, FAUZAN R N, WIBOWO N T, ASRIANINGTIYAS A, AFRILIANA N, ANANDA T (Univ Indonesia, West Java, Indonesia, Email: hayun@farmasi.ui.ac.id) : Synthesis and Anti - inflammatory Activity of 2 - Methoxy - 4 - (1 - phenyl - 3 - methyl - 1H - pyrazol - 5 - yl)phenol) and Its Aminomethyl Derivatives. Asian J. Chem 2020, 32 (3), 607 - 11.

Using heat - induced protein denaturation technique, a series of novel synthesized 1,5 - diarylpyrazole compounds, namely 2 - methoxy - 4 - (1 - phenyl - 3 - methyl - 1H - pyrazol - 5 - yl)phenol (1) and its aminomethyl derivatives (2a - e) were evaluated for their anti - inflammatory potentiality. The structures of the synthesized compounds were elucidated using FTIR, NMR (1 H & 13C) and mass spectral data. The study found that the activity of aminomethyl derivatives (2a - e) was higher than that of parent compound 1. In this series, aminomethyl derivatives bearing dimethylamino - methyl, diethylaminomethyl and pyrrolidinomethyl moieties (2a, 2c and 2e, respectively) were more active than diclofenac sodium, which was used as a standard. A study on the structure - activity relationship (SAR) suggested that the activity of aminomethyl moiety of the compound was influenced by its pKa value. Thus, novel compounds act as potential anti - inflammatory agents.

2 illus, 1 tables, 31 ref