040940   GHULAM N A, ABBAS M N, SACHIT D E (Environmental Engineering Dep, Mustansiriyah Univ, Baghdad, Iraq, Email: noorghulam6@gmail.com) : Preparation of synthetic alumina from aluminium foil waste and investigation of its performance in the removal of RG-19 dye from its aqueous solution. Indian Chem Eng 2020, 62(3), 301–13.

In this study, aluminium foil waste was used as a raw material to prepare alumina (Al₂O₃) by the precipitation process. Then, the produced alumina was applied in the removal of reactive green-19 dye from the simulated wastewater. The purity of the prepared alumina was investigated by the X-ray florescence test, and it was more than 97 %. The X-ray diffraction analysis displayed that the alumina sample calcined at 550°C had γ-Al₂O₃ phase. High-surface area and the pore volume obtained were 246 m²/g and 0.412 cm³/g, respectively. Also, the real and bulk densities were found to be 3 and 1.35 g/cm³ , respectively. Batch adsorption experiments were carried out for removing RG dye from simulated wastewater using the prepared alumina. The effects of pH, contact time, agitation speed, alumina dose, and the initial concentration on the adsorption process were studied. The optimum conditions were as follows: pH = 3; contact time = 90 min; agitation speed = 200 rpm; and alumina dose = 0.25 g for initial dye concentration of 100 mg/L to have high removal efficiency (98.65 %). Moreover, the results revealed that the experimental data fitted to both Freundlich and Langmuir isotherms. The maximum adsorption capacity was 133.33 mg/g.

10 illus, 6 tables, 31 ref

040939   BARIK K, PRUSTI P, MOHAPATRA S S (Chemical Engineering Dep, Indira Gandhi Institute of Technology Sarang, Dhenkanal 759146, Odisha) : Single- and multi-objective optimisation for a combined cooling and antisolvent semi-batch crystallisation process with an ACADO toolkit. Indian Chem Eng 2020, 62(3), 287–300.

Crystallisation from the solution is a widely practised slow precipitation process for the production and purification of solid particles. Combining cooling and antisolvent crystallisation can enhance the productivity and gives a better control over process, as well. In the current investigation, the model describing the crystallisation behaviour has been optimised (Single-/Multi-objective) for cooling, antisolvent and finally for a combined antisolvent and cooling crystallisation process of Acetyl Salicylic Acid (ASA) from ethanol–water solutions. The appropriate optimal profile of additives to generate supersaturation for a combined crystallisation process is explored properly. In addition to the above, the parametric effect on the final product has also been investigated. The process is modelled by the population balance approach and the method of moments is used to solve the population balance model equation. A simulation programme is developed in MATLAB environment and the optimisation problems are solved by using Automatic Control and Dynamic Optimisation toolkit. Finally the outputs of the optimised conditions are qualitatively and quantitatively compared with the literature and they clearly reveal close agreement for the advanced study. This optimisation study improves the quality as well as the effectiveness of the various objective function related in the production process of ASA.

10 illus, 3 tables, 25 ref

040397   RAPARIA Y, HALDER G, ARYA R, BARMAN S (Chemical Engineering Dep, Thapar Institute of Engineering and Technology, Patiala - 147 004) : Catalytic performance of modified beta zeolite on the synthesis of styrene and xylene: A kinetic study. Indian Chem Eng 2020, 62(3), 263–76.

The catalytic performance of K-modified zeolite beta (Kβ) was investigated for the synthesis of industrially important products styrene and xylene by alkylation of toluene with methanol. A series of beta zeolites Kβ_0.25, Kβ_0.5, Kβ_1.0 and Kβ_1.5 were prepared by modification with different concentration of potassium chloride solution (0.25 %, 5 %, 1.0 % and 1.5 %). The modified zeolites were characterised by XRD, SEM, EDS and FTIR. Toluene and methanol in a molar ratio of 0.5:1–7:1 were subjected to vapour phase alkylation reaction in the temperature range of 733–793 K, space-time 0.009–0.025 kgh/kmol at 1 atm pressure. However, maximum toluene conversion was achieved at temperature 773 K, reactant ratio 2.5:1 and space-time 0.010 kgh/kmol over catalyst Kβ_0.25. After modification with K, the acidic Hbeta zeolite become partly basic in nature. A kinetic model was evaluated to find the reaction constants. The activation energy of ring alkylation was found to be 76 kJ/mol.

11 illus, 3 tables, 35 ref

040936   ANSARI S Z, PANDIT A B (Chemical Engineering Dep, Institute of Chemical Technology, Mumbai - 400 019) : Evaluation of gypsum (CaSO₄·2H₂O) scale formation and its inhibition by different antiscalants by static and dynamic test. Indian Chem Eng 2020, 62(3), 251–62.

Deposition of calcium salts or scaling on heat transfer surfaces is a major industrial problem around the globe. Scales get deposited in industrial process equipments severely affecting its life span, operating cost and adversely altering the process. Antiscalants are widely used for inhibition of metal salts formed in this water. In this study, chemical species like phosphates, various vinyl monomers and polymethacrylic acid are tested for their scale inhibition properties under static condition as per NACE standard and dynamic condition using SS and MS metal Strips. The performance of the compounds like Acrylic Acid, Malic acid, Succinic Acid and Polymethacrylic acid, studied during this working was found to be increasing with an increase in the number of a carboxylic (-COOH) group attached to its molecule. The presence of a negative charge over the carboxyl group plays an important role in the formation of ionic bond with the Ca²⁺ ions present in the liquid bulk. The carboxyl group attaches itself on the active sites of the crystal lattice and changes the crystal morphology significantly by blocking the active sites for its possible future growth.

6 illus, 5 tables, 47 ref

040934   KUMAR P (Indian Institute of Engineering Science and Technology, Howrah, West Bangel, Email: pratim.kumar.86@gmail.com) : An overview over dinitramide anion and compounds based on it. Indian Chem Eng 2020, 62(3), 232–42.

Dinitramide anion (DA) is one of the most notable discoveries in the field of energetic materials. Some of the important DA-based compounds are ammonium dinitramide (ADN), potassium dinitramide, silver dinitramide, sodium dinitramide, lithium dinitramide, guanidium dinitramide, etc. apart from several others. All DA-based energetic compounds have wide range of applications ranging from basic chemistry, engineering and to other allied areas. However, ADN is one of the important DA-based compound, and major researches are going over ADN to use it in rocket/ missile for green propulsion. DA-based compounds are generally used in the development of high-performance solid/ liquid propellants, pyrotechnics compositions and for lethal explosives. Other uses of DA compounds are in the chemical synthesis and in various types of industrial processes. In the present paper, an overview has been presented over the crystal structure, physical and chemical properties of all the synthesised DA-based compounds which are documented till date. The present study will be helpful in understanding various application areas of DA-based compounds and their future uses.

7 illus, 58 ref

042709   EGBUJOR M C, OKORO U C, OKAFOR S N (Industrial Chemistry Dep, Renaissance Univ, Ugbawka, Enugu, Nigeria, Email: egbujormc@ gmail.com ) : Novel alanine-based antimicrobial and antioxidant agents: Synthesis and molecular docking. Indian J Sci Technol 2020, 13(9), 1003 – 14.

To synthesize new alanine-based phenyl sulphonamide derivatives with significant antimicrobial and antioxidant activities. The reaction of alanine with benzenesulphonyl chloride afforded compound 3a. The ammonolysis of its N-acylated derivative gave the carboxamide which yielded the aryl/heteroaryl derivatives compounds 3d, 3e, and 3f via Buchwald–Hartwig nickel catalyzed amidation reaction. Structures agreed with the spectra data. Their antimicrobial activities, antioxidant activities, and molecular docking interactions were evaluated. Compounds 3f and 3a were the best antimicrobial agents with minimum inhibitory concentration (MIC) range of 0.5–1.0 µg/ml while compound 3a displayed the highest in vitro antioxidant percentage inhibition of 95.70 % and the best 50 % inhibitory concentration (IC50) value of 1.072 ± 0.002 µg/ml comparable to ascorbic acid of 96.38 % antioxidant percentage inhibition and 0.999 ± 0.001 µg/ml IC50 value. Compounds 3c, 3a, and 3f had the highest in silico antibacterial, antifungal, and antioxidant binding energies of −10.03, −11.79, and −13.13 kcal/mol, respectively. Alanine was found to potentiate the antimicrobial and antioxidant actions of benzenesulphonamide and carboxamide derivatives.

4 tables, 38 ref

040931   MESHRAM P D, BHAGWAT S S (North Maharashtra Univ, Jalgaon - 425 001, Maharashtra, Email: pawan.dm@gmail.com ) : Dynamic adsorption of Cd²⁺ from aqueous solution using biochar of pine-fruit residue. Indian Chem Eng 2020, 62(2), 170–83.

The present investigation describes the applicability of biochar of pinefruit residue (PFR) as a novel adsorbent for Cd²⁺ adsorption in the packed-bed system. Biochar was characterised for surface properties using BET surface area, Boehm titration, FT-IR and a scanning electron microscopy (SEM). Experiments were performed to investigate the influence of operational parameters such as bed height (Z = 5, 10 and 20 cm), metal-ion concentration (C_o= 25, 50 and 100 mg · L⁻¹) and flowrate (Q = 2, 5 and 10 mL · min⁻¹) on Cd²⁺ uptake capacity (q_exp). Maximum qexp of 17.93 mg · g⁻¹ corresponding to 51.90 % of Cd²⁺ removal was obtained for Z = 5 cm, Co= 50 mg · L⁻¹ , Q = 2 mL · min⁻¹ at pH 6.9 and 303 K. Established Thomas and Yoon-Nelson models were used to analyse experimental data and the model parameters were evaluated. The comparative study of error functions of Cd²⁺ adsorption capacity predicted by model showed that Thomas model is the best fit. The sorption efficiency of regenerated biochar in successive sorption– desorption cycles was 38.96 % at the end of the third cycle.

4 illus, 5 tables, 27 ref

040929   DAVID C, ARIVAZHAGAN M, MISHRRA A (Biotechnology Dep, Technology & Research (Deemed to be Univ), Guntur – 522213, Andhra Pradesh) : Treatment of spent wash effluent using Kaolin immobilised nano ZnO photocatalyst and material characterisation. Indian Chem Eng 2020, 62(2), 138–49.

The distillery effluent causes a crucial ecological impact when disposed untreated into the environment and the removal of the intense brown colour is a much challenging task due to the presence of a polymeric compound – Melanoidin. This research study reports the synthesis and application of a nano ZnO photocatalyst in an immobilised form. The process parameters such as photocatalyst dosage (0.5–2.5 g/L), initial pH (3–11), initial spent wash concentration and treatment time were optimised to attain the maximum spent wash degradation efficiency. The physical and chemical properties of the as-synthesised photocatalyst were characterised by X-ray diffractometer (XRD), high-resolution scanning electron microscopy (HRSEM), energy dispersive analysis X-ray (EDAX), Brunauer–Emmett–Teller (BET) surface area analysis, diffuse reflectance spectroscopy (DRS) and Fourier transform infrared (FTIR) spectroscopy. The percentage colour degradation of spent wash increased from 36.2 to 77.1 %, with increasing photocatalyst dosage from 0.5 to 2.5 g/L, respectively. The reaction rate constant (k_obs) decreased from 0.0141 to 0.0022 (1/min) with increasing initial spent wash concentration (% dilution) of 5–25 %. The photocatalytic degradation experiment performed at optimised process parameters yielded a maximum of 91.2 % of spent wash colour degradation.

9 illus, 2 tables, 36 ref

040926   HUSAIN Z, ANSARI K B, CHATAKE V S, URUNKAR Y , PANDIT A B, JOSHIA J B (Chemical Engineering Dep, Institute of Chemical Technology, Mumbai - 400 019) : Valorisation of biomass pellets to renewable fuel and chemicals using pyrolysis: Characterisation of pyrolysis products and its application. Indian Chem Eng 2020, 62(1), 78–91.

The pyrolysis of biomass (agro and garden waste) pellets in the temperature range of 200–600°C is studied in the present work. The pyrolysis of biomass pellets in a batch reactor generates mainly CO₂ and CO gases at 300°C and H₂ gas along with C₁-C₃ hydrocarbons at 600°C. The yield of non-condensable gases, liquid products and biochar was 30, 38 wt. % (30 wt. % bio-oil, 8 wt. % water), and 32 wt. %, respectively. The MS analysis of the bio-oil depicted the presence of light oxygenates, furans, anhydrosugars, and phenolic compounds. The biochar showed porous and macrostructure with various surface functional groups. A kinetic study of thermal decomposition of biomass pellets was performed along with a reaction mechanism of the product formation during the pyrolysis. Net energy return calculations depicted that the pyrolysis system can be self-sustained. The present study demonstrates the possible conversion of biomass pellets into useful products such as acids, aldehydes, phenolic compounds and carbonaceous char.

6 illus, 9 tables, 27 ref

042691   GAIKWAD V H, BORUDE K R, KHADE B C, SABALE V B (School of Chemistry Dep, MITWPU, Pune 411038, Maharashtra, Email: vaishali. gaikwad@mitwpu.edu.in ) : Molecular docking study of biologically active ligand and the insights of synthesis, characterization and in vitro studies of derivatives of β-tubulin polymerization inhibitor as antigout agent. Indian J Sci Technol 2020, 13(7), 756 – 66.

The aim of the study is to synthesize derivatives of colchicine, which is an anti-gout drug, and to enhance the antimicrobial activity of it. As it is observed in case study of drug– drug interaction, i.e. Colchicine and clarithromycin, which is known as antimicrobial drug has given fatal results, in consequence to that we have tried to enhance the antimicrobial activity of the drug itself, as there is always a need of antimicrobial drugs in the treatment of gout. In addition, to study the binding of protein and colchicine through molecular docking. In this work, the detailed molecular docking study of colchicine has been done and complexes of colchicine with Co (II), Ti(II), Ni (II) Fe (II) Zn(II) Cu(II) are synthesized and investigated by using IR, and antimicrobial antifungal screening. Docking shows the exact binding site of the ligand which is beta-tubulin inhibitor. It is also observed that first transition series metal forms stable complexes with this ligand specially and shows enhanced antimicrobial activity.

7 illus, 3 tables, 21 ref

040922   REDDY S N, SAI P S T (Chemical Engineering Dep, Indian Institute of Technology Madras, Chennai - 600 036) : Continuous segregation of homogeneous binary mixture of solids by a liquid fluidised bed classifier. Indian Chem Eng 2020, 62(1), 28–39.

Continuous segregation of homogeneous binary mixture of solids was experimentally investigated in a liquid fluidised bed with water as the fluidising medium. Experiments were conducted to study the influence of operating variables such as feed rate of solids, feed composition and liquid superficial velocity on pressure drop, entrainment and discharge rates of solids, and purity of top and bottom products. The fluidisation phenomenon was observed through pressure drop measurements and the liquid velocity range for the classification of solids was identified. Correlations are proposed for the entrainment rate of solids, and purity of top and bottom products. When solid particles are in a fluid-like state, there exists an equilibrium between released flotsam component and residual jetsam component at steady state.

10 illus, 2 tables, 23 ref

040921   KAUR J, CHUGH T, SANGAL V K (Computer Science Dep, Exeter Univ, Exeter, United Kingdom) : Energy efficient global optimisation of reactive dividing wall distillation column. Indian Chem Eng 2020, 62(1), 15–27.

An optimisation problem to minimise energy requirements in the synthesis of bio-additive ethyl tertiary butyl ether (ETBE) via reactive dividing wall distillation column (RDWC) is considered. The contribution of the article is to solve a real-world optimisation problem by addressing two challenges: (i) finding optimal process conditions in few numbers of simulations and (ii) handling mixed-integer variables. An efficient global optimisation algorithm is used to find optimal process conditions and adapted to handle both integer and continuous variables. ETBE is produced by the reaction of ethanol and isobutene in RDWC and has proven its niche in reducing the energy requirements for reaction– separation processes. However, the overall economics of the process is governed by the energy requirements. Therefore, it is crucial to find the optimal process conditions for achieving a cost-effective process. Reboiler duty of RDWC, considered as a measure of the energy requirements to be minimised by using the algorithm. Seven variables (four integers and three continuous) are used in the optimisation process to minimise the reboiler duty. A very low value of reboiler duty is obtained after doing the optimisation, which not only provides an insight when using RDWC but also shows the potential of the algorithm used.

7 illus, 2 tables, 32 ref

042663   MIKE G R, JULIUS T, OKEKE T E, KINGSLEY A A, DANIEL A D (Chemical Sciences Dep, Federal Univ, P.M.B 1020, Taraba State, Nigeria, Email: govt_4real@yahoo.com ) : Optimizing the cellulose content of shea butter bark wood fibre through alkali pretreatment for composite application. Indian J Sci Technol 2020, 13(4), 384 – 99.

This study was aimed to optimize the cellulose content (CC) increase with the percentage removal of hemicellulose (HC) and lignin content (LC) of shell butter bark wood fiber (SBBWF) by alkalization process. The truth remains that natural fibers have many uses to be employed in all human activities. The minimization of plant waste is a secret for close economy by effectively converting it to useful ventures. The SBBWF was inserted in variant solutions for the concentration of sodium hydroxide (CSH) at 3–9 wt % and the soaking time (ST) for 6–18 h. The SBBWF before and after pretreatment were analyzed through gravimetric method and Fourier transform infra-red (FTIR) to determine its composition and organic substance with corresponding functionality, respectively. The optimization was examined using the central composite design (CCD), an option in response surface methodology (RSM). The results at optimal conditions indicated that the increment in CC with the reduction of HC and LC was 97.9988 %, 44.5245 %, and 45.716 %, respectively. The factors at this junction were CSH and ST at 3 wt % and 18 h, respectively. The R2 values of CC, HC and LC had an approximation nearer to 1. The errors approximated by RSM and experimental readings were <0.43 %. Therefore, the modified SBBWF at this state is potential material in the component of composite manufacturing to be applied in domestic utilization.

6 illus, 3 tables, 51 ref

042656   DEVI R L V R, NEERAJA A, SWAPNA Y, NAGARADHIKA V, SUJATHA P S S R, MURTHY M K (Mathematics Dep, REVA Univ, Bengaluru, Karnataka, Email: kalyankrishna51@ gmail.com) : Numerical study of mhd casson liquid stream over an infinite vertical porous plate with newtonian heating. Indian J Sci Technol 2020, 13(2), 149 – 60.

Magnetohydrodynamics (MHD) stream of Casson liquid over a limitless vertical porous plate with Newtonian heating is considered. Casson liquid is non-Newtonian liquid. The governing nonlinear equations are comprehended utilizing shooting system. The impacts of relevant governing parameters on the liquid velocity and the temperature are exhibited graphically. The coefficient of skin friction and the rate of heat transfer are determined numerically. The present outcomes have been good simultaneousness with existing outcomes under some unique cases. Porous plates are additionally used in the design of heat exchangers, computer assemblies, polymer industry, and automotive industry.

8 illus, 1 table, 19 ref

042652   REDDY D A, MISRA S, SINDHU P J , PREMARAJAN S, JOHN S (Krupanidhi Group of Institutions, Bangalore, Email: divyanikhil0205@ gmail.com ) : Is Deteriorating air quality impacting stock performance in India? Air quality index predicts stock performance. Indian J Sci Technol 2020, 13(3), 103 – 13.

This study attempts to examine a systematic relationship between air quality index (AQI) and the performance of stock markets in India. India has ranked among the bottom five countries in environmental performance index (EPI) by World Economic Forum (WEF). Previous studies in this field conducted in other parts of the world indicate a direct relation between environmental performance and market performance; however, the case of India may prove to be different considering the Indian environmental policy, environmental accountability, population, and income and development aspects. We have employed linear regression technique to ascertain the impact of AQI on stock returns. AQI data from 13 stations across India are the dependent variables. These dependent variables are each regressed individually for each stock market index from Bombay Stock Exchange (BSE) equity index, Sensex. Therefore, there are 17 models where AQI from the chosen 13 stations has been regressed with each of the industry specific index. A descriptive analysis is also performed to know the yearly averages of the AQI across stations used in the study. Our results confirm that there exists a negative association between AQI and stock returns for top-performing growth stocks. The results also indicate that there is a positive association between AQI and capital intensive industry stocks, while a negative association was observed in the case of labor-intensive industries. The findings indicate that AQI is a predictor for stock returns in India in the short term.Environmental influences on stock market performance are becoming more potent than ever before as the negative externalities of pollution impact the financial performance of corporations.

3 tables, 21 ref

042652   REDDY D A, MISRA S, SINDHU P J , PREMARAJAN S, JOHN S (Krupanidhi Group of Institutions, Bangalore, Email: divyanikhil0205@ gmail.com ) : Is Deteriorating air quality impacting stock performance in India? Air quality index predicts stock performance. Indian J Sci Technol 2020, 13(3), 103 – 13.

This study attempts to examine a systematic relationship between air quality index (AQI) and the performance of stock markets in India. India has ranked among the bottom five countries in environmental performance index (EPI) by World Economic Forum (WEF). Previous studies in this field conducted in other parts of the world indicate a direct relation between environmental performance and market performance; however, the case of India may prove to be different considering the Indian environmental policy, environmental accountability, population, and income and development aspects. We have employed linear regression technique to ascertain the impact of AQI on stock returns. AQI data from 13 stations across India are the dependent variables. These dependent variables are each regressed individually for each stock market index from Bombay Stock Exchange (BSE) equity index, Sensex. Therefore, there are 17 models where AQI from the chosen 13 stations has been regressed with each of the industry specific index. A descriptive analysis is also performed to know the yearly averages of the AQI across stations used in the study. Our results confirm that there exists a negative association between AQI and stock returns for top-performing growth stocks. The results also indicate that there is a positive association between AQI and capital intensive industry stocks, while a negative association was observed in the case of labor-intensive industries. The findings indicate that AQI is a predictor for stock returns in India in the short term.Environmental influences on stock market performance are becoming more potent than ever before as the negative externalities of pollution impact the financial performance of corporations.

3 tables, 21 ref

042650   STANCIU I (Physical chemistry Dep, Bucharest Univ, 4-12 Elisabeta Blvd, Bucharest, Romania, Email: istanciu75@ yahoo.com ) : Viscosity index for oil used as biodegradable lubricant. Indian J Sci Technol 2020, 13(3), 352 – 9.

To study the viscosity index for oil used as biodegradable lubricant using tree methods. Viscosity index for oil used as biodegradable lubricant (coconut oil, soybean oil, corn oil, rapeseed oil) was determined using a set of Schott Ubbelohde-type viscometers selected according to the values of their constants, so that the margins of the uncertainty, inherent in the Hagebach–Couette correction, does not exceed the error allowed for the measurements. The measurements were carried out at 40 ± 0.1 and 100 ± 0.1 °C, according to the recommendation of ASTM D2270. The viscosity index of soybean oil is the highest and the viscosity index of rapeseed oil is the lowest. The viscosity index determined with the calculator for coconut oil is one unit higher than that obtained by the formula (1). The viscosity index of corn oil determined with relation (1) is 151, and the one determined by computer is 25 units higher. The viscosity index of rapeseed determined with relation (1) is 143, and the one determined with the computer program is 23 units higher. The viscosity index determined for soybean oil determined using the program has a negative value. The viscosity oils used as biodegradable lubricant were determined using tree methods: ASTM D 2270 and method graphically using ASTM D 341. Viscosity index calculation was performed with a computer program using kinematic viscosity at 40 °C and 100 °C. The viscosity-temperature coefficient for oils used as biodegradable lubricant can vary by a factor of 10 depending on the temperature. The viscosity of oil oils used as biodegradable lubricant is dependent upon temperature. Viscosity decreases as temperature increases because the molecules vibrate more, and interact less. The three methods for determining the viscosity index can be applied both to vegetable oils used as biodegradable lubricants and to oils of SAE class. The term biodegradable lubricant includes a wide range of lubricants, such as: vegetable oils; hydrogenated vegetable oils; vegetable oils with high oleic acid content; synthetic esters produced from vegetable oils.

4 illus, 1 table, 15 ref

042562   VARANASI R, KOLLI R , RAI Y , RAMESH D , KIRANMAYEE R G R , REDDY G R C , BAIG H , PATOLE T , SRIVASTAVA P , BHALAERAO R (et al) (Central Council for Research in Homoeopathy, New Delhi, Email: varanasiroja@gmail.co) : Effects of individualised homoeopathic intervention in Stage I essential hypertension: A single‑blind, randomised, placebo‑controlled trial. Indian J Res Homoeopathy 2020, 14(1), 3-14.

Hypertension (HTN) is a leading risk factor for death and disability and responsible for over 1.6 million deaths in India. Clinical case reports, observational studies and randomised controlled trials show the effects of homoeopathic medicine in HTN.  The results of this study will add to the evidence of effectiveness of individualised homoeopathic medicine in Stage I HTN. A single-blind, randomised, placebo-controlled trial was undertaken from October 2013 to March 2018. The primary outcome measure was to evaluate the change in systolic blood pressure (SBP) and diastolic blood pressure (DBP) every month for 3 months. Of 2127 patients screened, 217 patients who fitted the inclusion criteria were randomised to receive either homoeopathic Q potencies (or LM potencies) plus lifestyle modification (LSM) =116 or placebo + LSM = 101. LSM included physical activity and diet as part of the treatment regimen. Analysis was by intention to treat. Repeated‑measure ANOVA between the groups showed statistically significant difference (Wilk lambda 0.85, F = 12.12, df = 213, P = 0.0001), in both SBP and DBP favouring Individualised Homoeopathy (IH) along with LSM. Post hoc independent t‑test showed a significant mean reduction in SBP (mean difference 7.12 mm Hg, 95 % confidence interval [CI] 4.72–9.53, P = 0.0001) and DBP (mean difference 5.76 mm Hg, 95 % CI: 4.18–7.23, P = 0.0001) favouring Homoeopathy plus LSM group. Sulphur (n = 24), Natrum muriaticum (n = 21), Lycopodium (n = 16), Nux vomica (n = 12) and Phosphorus (n = 10) were the most useful medicines. IH in LM potency along with LSM was found effective over placebo along with LSM in the patients suffering from Stage I HTN. Further trials in rigorous setting are warranted.

2 illus, 4 tables, 32 ref

042549   PARVEEN H , BISHNOI A, IQBAL A , AFZA N, RAI S (Chemistry Dep, Lucknow Univ, Lucknow - 226 007, Email: abhabishnoi5@gmail.com) : Synthesis and spectral analysis of (S)-7-(4-chlorophenyl)-6,7-dihydrothiazolo [4,5-d]pyrimidine-2,5(3H,4H)-dione and study of its quantum chemical properties. Indian J Pure Appl Phys 2020, 58(12), 847-57.

In this article, synthesis and quantum chemical properties of novel (S)-7-(4-chlorophenyl)-6,7-dihydrothiazolo[4,5- d]pyrimidine-2,5(3H,4H)-dione (CPTHZ) are described. The aim of this synthesis was to obtain biologically active thiazolidinone scaffolds and correlates its quantum chemical properties with its experimental results. The structure of the compound was characterized by using different spectral analysis. The chemical calculations were computed with the help of DFT level of theory using Becke3–Lee–Yang–Parr (B3LYP)) and Coulomb–Attenuated–Method–Becke3–Lee–Yang–Parr (CAM-B3LYP)/6-31G(d,p) basis set. Thermodynamic properties were calculated at diverse temperatures. Various structural and thermodynamic parameters such as electrophilicity, chemical potential, chemical hardness and maximum amount of electronic charge transfer were done for this compound. The local reactivity descriptors showed that most reactive site for nucleophilic attack was C(7). In addition to it, correlation graphs between experimental and calculated values of ¹HNMR and ¹³CNMR were also presented.

10 illus, 10 tables, 46 ref

044616   GOSWAMI S, VERMA Y, RANA S V S (Toxicology Dep, Ch Charan Singh Univ, Meerut – 250001, Uttar Pradesh, Email: sureshvs_rana@yahoo.com) : Biological monitoring of exposure to inorganic lead in pregnant women of Meerut City (Uttar Pradesh), India. J Ecophysiol Occup Health 2020, 20(1&2), 27-33.

This study was conducted to monitor lead poisoning, if any, in pregnant women of Meerut City, a town of Northern India. The parameters selected included urinary concentration of lead and δ-aminolevulinic acid. Further, whole body oxidative stress caused by environmental lead exposure has also been determined through urinary concentration of thiobarbituric acid Reactive Substances (TBARS). Present results show that lead concentration in pregnant women (26-30 years) was higher (52±0.01 µg/dL) than younger (20-25 years) (40±0.01 µg/dL) and older (31-40 years) (43±0.01 µg/dL) women. Further, highest concentration of δ-aminolevulinic acid in urine (2.60±0.55 mg/l) was also recorded in the pregnant women aged between 26-30 years. Women in the age group of 20-25 years and consuming non-vegetarian diet showed comparatively higher values for TBARS (5.56±0.6 µM). Higher concentration of lead in the urine samples of pregnant women than nonpregnant women is attributed to calcium stress and its increased release from bones during pregnancy. It is concluded that pregnant women of north India and their growing fetuses are more vulnerable to environmental lead poisoning.

2 tables, 48 ref

040735   THANZAMI K, PACHUAU V L T, LALREMRUATI C, KAKOTI B B (Pharmacy Dep, Regional Institute of Paramedical & Nursing Sciences (RIPANS), Aizawl - 796 017, Mizoram, Email: zamteralte@gmail.com) : Phytochemical screening, anti-oxidant and anti-inflammatory activities of ethyl acetate extract of Combretum punctatum var. squamosum. Indian J Nat Prod Resour 2020, 11(1), 38-45.

The objective of this study was to carry out the phytochemical screening of the ethyl acetate extract of Combretum punctatum var. squamosum and to investigate anti-inflammatory and anti-oxidant activities. The phytochemical investigation indicated the presence of flavonoids and steroids in the extract. Anti-inflammatory activity was studied by in vitro inhibition of albumin denaturation and HRBC membrane stabilization methods; in vivo cotton pellet induced granuloma and carrageenan-induced paw oedema studies. The anti-oxidant activity was studied by lipid peroxidation and DPPH radical scavenging activity assays.The ethyl acetate extract at different concentrations showed a significant percent inhibition of albumin denaturation and percent inhibition of haemolysis when compared with the standard. The extract at 200 and 400 mg/kg b.w. significantly reduced cotton pellet granuloma (P <0.001) and carrageenan paw oedema (P <0.05) when compared with the standard in rats.The extract at different concentrations also showed a significant percent inhibition of lipid peroxidation and DPPH when compared with the standard.Thus, the result indicates that the ethyl acetate extract exhibited significantly good anti-inflammatory and anti-oxidant activities.

8 tables, 35 ref

042452   RAMASAMY G, ANANDAKUMARAN J (Chemistry Dep, Annamalai Univ, Annamalai Nagar – 608 002, Tamil Nadu) : Crystal growth, structure and characterization of tutton’s salt mixed crystals – potassium magnesium manganese sulfate hexahydrate. Int J Res Pharm Chem 2020, 10(1), 54-62.

New mixed crystals of K₂Mg_0.78Mn_0.22(SO₄)₂.6H₂O (KMMS) were synthesized and grown from an equimolar mixture of the Tutton’s salt K₂Mg(SO₄)₂.6H₂O and MnSO₄ by slow evaporation of the aqueous solution at room temperature. Crystal composition as determined by single crystal XRD analysis reveals that it belongs to the monoclinic system with P21/c space group and cell parameter values are, a= ,Å0831.6 Å 33.266 = V ,°18.401 = â   ,°09 = í =  ,Å0490.9 = c ,Å0472.21 = b  3 .4 = Z ,The coexistence of magnesium and manganese ions in the mixed crystal is confirmed by single crystal XRD analysis, atomic absorption spectroscopy, inductively coupled plasma and energy dispersive X-ray spectroscopy. Slight variations are observed in FT-IR and XRD of pure and mixed crystals. The surface morphology of the mixed crystal is studied by scanning electron microscopy. Thermogravimetric and differential thermal analysis curves show the purity of the substance. Large full width at half maximum value of diffraction curves in high resolution X-ray diffraction spectroscopy reveals the presence of misorientation in the lattice blocks because of the Mn(II)- incorporation.

9 illus, 3 tables, 14 ref

040488   WAHYUNINGSIH T D, KURNIAWAN Y S, CERISTRISANI N, SURYANTI A D (Chemistry Dep, Gadjah Mada Univ, Yogyakarta 55281, Indonesia, Email: tutikdw@ugm.ac.id) : Evaluation of ethanolamide based nonionic biosurfactant materials from chemically modified castor oil and used palm oil waste. Indian J Chem Technol 2020, 27(4), 326-32.

Successful preparation of the ethanolamide based nonionic biosurfactant materials from castor oil and used palm oil waste through a chemical modification process has been reported. Both oil wastes have been transesterified with methanol under the alkaline condition to yield 93.32 and 80.30 % of methyl esters. The ricinoleic acid and 9,10,12-trihydroxystearic acid compounds are obtained in 93.44 and 94.86 % yield; while the amidation of the methyl esters in a solvent-free reaction gives ricinoleyl ethanolamide in 49.81 % yield, and biomaterials containing lauryl ethanolamide, myristyl ethanolamide, palmityl ethanolamide, and oleoyl ethanolamide derivatives yielded in 74.48 %. The chemical structures of the products have been confirmed by FTIR, GC-MS, and ¹H-NMR spectrometers. Almost all biosurfactant materials gave higher HLB and lower surface tension compared with the Tween 80 as a positive control. Even though only ricinoleic acid and ethanolamide derivatives exhibit lower critical micelle concentration than the positive control, the ethanolamide derivatives from used palm oil give a stable foam volume up to 70 mL for 90 min and also give a stable emulsion between distilled water and gasoline to 5 days, which is remarkable. These findings show that the ethanolamide derivatives from castor oil and used palm oil waste are promising nonionic biosurfactant materials for industrial applications.

3 illus, 2 tables, 26 ref

040485   ALY H F, AKL M A, SOLIMAN H M A, ABDEL-RAHMAN A M E, ABD-ELHAMID A I (Advanced Technology and New Materials Research Institute, SRTA, Egypt, Email: ahm_ch_ibr@yahoo.com) : Nano silica particles loaded with CYANEX-921 for removal of iron(III) from phosphoric acid. Indian J Chem Technol 2020, 27(4), 303-10.

A simple route for preparation of organically modified spherical silica (SiO₂) nanoparticles with CYANEX 921 has been discussed. These modified particles has been used to remove Fe³⁺-SCN complex from 9M phosphoric acid. SEM, XRD, IR and EDS have been used to Characterized the powder in its several stages. The effect of SiO₂ weight, thiocyanate concentration, initial Fe (III) concentration, H₃PO₄ concentration, stirring time, temperature and loaded SiO₂ weight have been used to study the removal percent. The loaded silica succeeded in removal of 70 % of Fe (III). Langmuir isotherm model well fit the experimental data with maximum sorption capacity 45.45 mg/g. The reaction kinetic is found to follow the pseudo second order kinetic model the adsorption reaction shows exothermic behavior.

6 illus, 3 tables, 35 ref

044458   AYAD M I, RAGAB W A, EL-GARAWANI I, ABU-SETTA M H H, SHAMS EL-DEIN N S S (Chemistry Dep, Menoufia Univ, EGYPT.) : Metallo – bioactive pyridopyrazolopyrimidine complexes as a new class for anticancer therapy. J Chem & Cheml Sci 2020, 10(2), 86-97.

The synthesis of bioactive pyridopyrazolopyrimidine ligands denoted I, II and III were described. The chelation abilities of the ligand towards Co(II), Cu(II( salts have been studied and give the following formula: [Cu(H2L 1 )(HL1 )(CH3COO) (H2O)].3H2O, (Ib), [Cu(HL1 )2(H2O)2].1.5H2O, (Ic), [Co(H2L 1 )2Cl(OH)].H2O, (Id), [Cu(H2L 2 )(OH)(H2O)].Cl.0.5H2O, (IIa), [Cu(HL3 )Cl(H2O)2].H2O, (IIIa). These complexes of these ligands have much potential as anticancer agents. Chelates behave as a neutral bidentate ligand bonded to the metal ions through either the nitrogen atom of pyrazole ring and hydroxyl oxygen atom attached to pyrimidine ring or the nitrogen atom of amide group of pyrimidine ring and carbonyl oxygen atom of amide group of pyrimidine ring in protonated or deprotonated form. These structures have been synthesized and characterized by elemental analyses, (spectral method UV–Vis., IR), magnetic susceptibility, conductance and thermogravimetric analysis (TGA) were performed. Molar conductance in DMF arrangement demonstrates that, all complexes are non-electrolytes except the complex (IIa) is electrolyte. All these parameters described above, confirmed the proposed structures of these metal complexes. The safety and tolerance assessment of these complexes were done on normal peripheral blood leucocytes isolated from eight healthy non-smoker volunteers. Besides, the anticancer properties were evaluated on acute myeloid leukemia (AML) blasts of eight patients that were recently diagnosed for AML and received no chemotherapeutics until the samples were taken. The tested complexes should be  M. I. Ayad, et al., J. Chem. & Cheml. Sci. Vol.10(2), 86-97 (2020) 87 investigated in depth towards other cancer cell lines to assess their possible integration as chemotherapeutics.

4 illus, 35 ref

044457   EL-TABL A S, GHARIEB M M, HEMIDA H S, FAHEEM S M (Chemistry Dep, El-Menoufia Univ, Egypt) : Synthesis, structural characterization and antimicrobial study on metal complexes of new bioactive ligand with terminal wings. J Chem & Cheml Sci 2020, 10(2), 65-85.

New binuclear Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Mg(II), Ca(II), Pb(II), and Fe(III) bioactive complexes of new ligand with diethyl 2,5diacetylhexaneediote terminal wings have been synthesized and structurally characterized by elemental analysis and various Techniques like IR, UV-VIS, ¹H-NMR, Mass, Conductivity, Magnetism, Thermal analysis(DTA-TGA) and ESR measurement. The crystalline behavior of some complexes were analyzed by scanning electron microscope and show Nano form structure. The RSR spectra of solid metal complexes at room temperature show isotropic spectra except Cu(ll) complex (13) , this complex shows anisotropic spectrum with g1> g> ge state, indicating compressed tetragonal distortion around Cu(II) ion with adz² ground state and has covalent bond character .The molar conductances of the complexes confirmed non-electrolytic nature. Biological activities of the ligand and its metal complexes were tested against gram positive staphylococcus aureus and gram negative Escherichia Coli .some of the compounds show enhanced activity compared with standard drugs( Pharmox, bacteria).

4 illus, 6 tables, 75 ref

044456   EL-TABL A S, ABD EL-WAHED M M, AHMED R A S, SARHAN K S (Chemistry Dep, El-Menoufia Univ, Egypt) : Synthesis and structural characterization of new and exciting np complexes-based paracetamol moiety with antimicrobial activity. J Chem & Cheml Sci 2020, 10(1), 32-64.

Reaction of p-hydroxy-benzoic-1, 2-phenylenediamine hydrazide with acetic anhydride (1:1) molar ratio in ethanol leads to the formation of new nano bioactive compound containing paracetamol moiety. Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Pb(II), Ca(II), Sr(II) and Mg(II) complexes have been synthesized 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). Molar conductance in DMF solution indicates that, the complexes are non-electrolytes in nature. Electron microscopic data show the complexes are in nanoparticles (NPs) form. The ESR spectra of Cu(II) complexes show anisotropic spectra a d(x2-y2) with covalent bond character, however, Mn(II), Fe(III) and Co(II) complexes show isotropic type. Invitro antimicrobial activity of the prepared compounds was tested using the filter paper diffusion method and the chosen strains. Some of these bioactive compound exhibit very promising antibacterial and antifungal activities in comparing with standard drugs with no toxic effect (invivo studies).

7 illus, 8 tables, 94 ref

044455   EL-TABL A S, ABD-EL- WAHED M M , EL-AZM M I A, FAHEEM S M (Chemistry Dep, El-Menoufia Univ, Egypt) : Newly designed metal-based complexes and their cytotoxic effect on hepatocellular carcinoma, synthesis and spectroscopic studies. J Chem & Cheml Sci 2020, 10(1), 10-31.

Recently, there has been an upsurge of activities relying on the structural information aimed at improving and developing other forms of metal-based compounds and nonclassical platinum complexes. In line with this many metal(3-((2- ((E)-(3-(hydroxyimino)-4-oxopentan-2-ylidene)amino)phenyl)amino)-3,4-dihydroquinoxalin-2(1H)-one) (Mn(II), Cu(II), Co(II), Ni(II), Zn (II), Cd(II), Pb(II))- based compounds of new bioactive oxime have been synthesized and characterized using 1H-NMR, Mass spectra, IR, UV-VIS and ESR spectra, Magnetism and Conductance measurements as well as Elemental and Thermal analysis ( DTA and TGA ). Molar conductance in MF indicates non-electrolytic in nature. The ESR spectra of Cu(II) complexes show anisotropic spectral (a dx² -y² ) with covalent bond character, However Mn(II) and Co(II) complexes show isotropic type with covalent bond character. The elemental analysis and spectral data confirmed octahedral structure for the prepared complexes. The antitumor activity of the ligand and some of its complexes show high to moderate inhibitory effect (IC50) against hepatocellular carcinoma comparing to standard drug (Sulfo-Rhodamine-B-stain (SRB)).

4 illus, 7 tables, 61 ref

044454   YAMMINE P, SALIBA C, KASSAB R (Chemistry Dep, Balamand Univ, Tripoli- 100, Lebanon, Email: paolo.yammine@balamand.edu.lb) : Curcumin polymer based nanospheres: Encapsulation and in vitro release. J Chem & Cheml Sci 2020, 10(1), 1-9.

Curcumin is a yellow pigmented polyphenol, having multiple medicinal uses due to its anti-inflammatory, antioxidant and antimicrobial effects. The most important effect is its potential use in chemothearpy for cancer treatment. In this study curcumin is encapsulated in Poly(DL-lactide-co-glycolide) nanospheres using solvent evaporation technique by means of Tween 80 and Span 80 as surfactants. Drug encapsulation, drug loading, particle size, morphology, FT-IR analysis and in-vitro studies, were conducted to characterize the formulated nanospheres.The spherical nanoshperes showed a size ranging between 60 and 130 nm, having a maximum drug encapsulation of 24 %. The lack of interaction between both drug and polymer during the nanosphere formulation was proven during the FT-IR study. The in-vitro studies showed a fast drug release.

4 illus, 2 tables, 20 ref

044453   DEY G R (Radiation and Photochemistry Div, Bhabha Atomic Research Centre, Maharashtra- 400 085) : Effect of phenyl moiety on the formation of radicals and radical cations of thioamides in n-butyl chloride: A pulse radiolysis study. J Chem Sci 2020, 131(1), 10.1007/s12039-.

The formation of radical cations and radicals of thioamides (R)(NH₂) CS, where R represents CH3 in thioacetamide (TA) and C₆H₅ in thiobenzamide (TBA) in n-butyl chloride has been studied using pulse radiolysis technique. The radical cations of TA and TBA are observed in n-butyl chloride, and on their subsequent deprotonation, respective radicals are generated. In this study on thioamide solutions in n-butyl chloride, the transient species formed at 1.2μs after the electron pulse exhibiting absorption maxima in 400 nm region are attributed to their radical cations. In the presence of 0.1 M ethanol (C₂H₅OH), a radical cation scavenger, the absorbance values at corresponding peaks are reduced substantially, revealing the formation of their respective radical cations. Moreover, at a later time, the generation of radical species takes place through deprotonation of radical cations and also through direct reactions during electron pulse irradiation. The mechanisms for the formation of radical cations and radicals of these two thioamides under pulse radiolysis have been revisited in butyl chloride medium wherein the charge transfer reactions are more prominent. Results of quantum chemical calculation support the mechanistic explanation and provide information on the reactivity of parent molecules, and the charge distribution on radical cations and radicals species of thioamides.

14 ref

044452   NAWAB M, BAROT S, BANDYOPADHYAY R (Science Dep, Pandit Deendayal Petroleum Univ, Gujarat- 382 007) : Nano-sized Silicalite-1: Novel route of synthesis, metal impregnation and its application in selective oxidation of toluene. J Chem Sci 2020, 131(1), 10.1007/s12039-.

The novel route of synthesis and catalytic performance of nano-sized Silicalite-1 are presented. Nano-sized Silicalite-1 was initially obtained from a clear solution using sodium silicate as silica source and tetrapropylamonium hydroxide as a template. The effects of silica source on the product yield, purity, crystallization rate and crystallinity were investigated. Effect of seeds in the synthesis was also studied. Nucleation time decreased to 6 h from 24 h using 4 % seed, with yield and crystallinity 70 % and 90 %, respectively. The catalyst was characterized by XRD, FE-SEM, TG, FITR and N₂N₂ adsorption–desorption techniques. Transition metals like Fe, Cu and Mo were impregnated by wet impregnation method. Cu-impregnated nano-sized Silicalite-1 was found to be highly active for the oxidation of toluene with H₂O₂H₂O₂.

44 ref

044451   KONER A, SATHYAMURTHY N (Jawaharlal Nehru Centre for Advanced Scientific Research, Karnataka- 560 064) : Stabilizing influence of silicon substitution on dibenzene and its isomers. J Chem Sci 2020, 131(1), 10.1007/s12039-.

The stabilizing effect of silicon substitution on sixteen different isomers of dibenzene (C₁₂H₁₂) has been investigated using second-order Møller-Plesset perturbation (MP2) theory and the cc-pVDZ basis set. While the most stable isomers of Si₁₂H₁₂ have only Si–Si bonds, some of the stable isomers have isolated Si=Si bonds and may be amenable to experimental observation. Vibrational frequencies were calculated for the optimized geometries at the Hartree-Fock level of theory to ensure that they corresponded to true minima on the potential energy landscape. Natural bonding orbital analysis confirms the existence of isolated Si=Si double bonds in some of the isomers. Dipole moment values were determined to check for the presence of centre of symmetry in certain geometries.

12 ref

044450   RAHMAN T, BORAH G, GOGOI P K (Chemistry Dep, Dibrugarh Univ, Assam- 786 004) : Hybrid composite of CuO with g-C₃N₄ as a photoactive catalyst: an efficient approach for the oxidation of alcohols. J Chem Sci 2020, 131(1), 10.1007/s12039-.

An eco-friendly method for the oxidative transformation of alcohols to their corresponding carbonyl compounds by using g-C₃N₄@CuO as a photoactive heterogeneous catalyst has been developed. The catalyst was characterized by SEM-EDX, TEM, BET surface area measurements, powder XRD, FTIR, photoluminescence and UV-Vis spectroscopy. It was found to be very effective for the conversion of both primary and secondary alcohols into aldehydes and ketones with excellent yields using tert-butyl hydrogen peroxide (TBHP) as oxidant at room temperature in the presence of visible light in aqueous medium. The catalyst can be separated from the reaction mixture by simple centrifugation and reused up to five cycles without significant loss in activity.

43 ref

044449   SASIKUMAR D, KOHARA R, TAKANO Y, YUYAMA K-I, BIJU V (Hokkaido Univ, Japan- 001-0020) : Kinetics of singlet oxygen sensing using 9-substituted anthracene derivatives#. J Chem Sci 2020, 131(1), 10.1007/s12039-.

Singlet oxygen ⁽¹O₂), the lowest excited-state of molecular oxygen receives great attention in basic research and clinical and industrial settings. Despite several spectroscopic methods available for ¹O₂ sensing, fluorescence sensing receives great attention, for which many fluorogenic sensors based on substituted anthracene are reported. Nonetheless, the roles of substituents on the sensing efficiency, in terms of detection time, remain largely unknown. In this work, we examine the ¹O₂ sensing efficiency of a fluorescence sensor based on a coumarin–anthracene conjugate, which is an electron donor-acceptor dyad, and compare the efficiency with that of 9-methylanthracene. Here, ¹O₂ is generated using the standard photosensitizer Rose Bengal, which is followed by estimation of the rate of reaction of ¹O₂ to the sensor and 9-methylanthracene. The second order reaction rate of the sensor is an order of magnitude less than that of 9-methylanthracene. The lower reactivity of the sensor to ¹O₂ suggests that the roles of substituents, such as electronic interactions, steric interactions and the reactivity of precursor complexes, on sensing efficiency should be carefully considered during construction of fluorogenic molecular sensors.

34 ref

044448   DEVI S P, LYNGDOH R H D (Chemistry Dep, North-Eastern Hill Univ, Meghalaya- 793 022) : Uncatalyzed gas phase aziridination of alkenes by organic azides. Part 2. Whole azide reaction with alkene. J Chem Sci 2020, 131(1), 10.1007/s12039-.

The B3LYP/6-31G(d,p) DFT method was used to study alkene aziridination by azides through uncatalyzed thermal gas phase routes which involve the whole azide reactant molecule without dissociation. Two mechanisms were studied – Route I involving concerted azide addition to alkene with the elimination of N₂, and the multi-step Route II involving 1,3-dipolar cycloaddition between azide and alkene. Three azides RN₃ (R = H, Me, Ac) are reacted with alkene substrates forming aziridine products. The concerted addition–elimination step of Route I is exothermic with an appreciable barrier, where the facility order Ac>Me> H points to electrophilicity of the azide reactant. The initial 1,3-dipolar cycloaddition step of Route II involves smaller barriers than Route I, while thermal decomposition of the triazoline intermediate to aziridine and N₂ involves two more steps with an N-alkylimine intermediate. The very high barrier for N-alkylimine cyclization to aziridine could be offset by the high exothermicity of the previous step. Geometries of the transition states for various reaction steps studied here are described as ‘early’ or ‘late’ in good accordance with the Hammond postulate. Two other mechanisms (Routes A and B) studied earlier (involving discrete nitrene intermediates) are compared with Routes I and II, where Route II involving 1,3-dipolar cycloaddition is predicted to be energetically the most favored of all the four mechanisms for thermal gas-phase aziridination of alkenes by azides.

40 ref

040482   SRI V S P S, GEORGE M (Chemistry Dep, Stella Maris Coll, Chennai - 600 086, Tamil Nadu, Email: marygeorge@stellamariscollege.edu.in) : Spherical CeO₂ nanoparticles encapsulated with Nelumbo nucifera Gaertn. flower extract and its in vitro anticancer activity against HCT 116 human colon cancer cell line. Indian J Chem Technol 2020, 27(2), 153-60.

The green synthesis of Cerium oxide nanoparticles (CeO₂ NPs) has been carried out using Nelumbo nucifera flower extract as capping and reducing agent. Optical property is determined using Ultra Violet-Visible spectroscopy (UV-Vis). From the Fourier Transform infrared spectroscopy (FTIR), characteristic peak at 506 cm^-1 confirms the presence of Ce-O bond. The fluorite-type cubic structure is confirmed by using FT-Raman spectroscopy. The crystalline phases are identified using powder X-Ray Diffractometer (PXRD). The stability and particle size of CeO₂ NPs is interpreted using Dynamic light Scattering (DLS) analysis. The particle size, shape and surface texture is analysed using High Resolution Scanning Electron Microscope (HRSEM) and High Resolution Transmission Electron Microscope (HRTEM) techniques. Selected Area Electron Diffraction (SAED) pattern confirms the identity of crystalline phases with the P-XRD data. Elemental mapping is done by using Energy Dispersive X-ray (EDX) analysis. Thermal behaviour of the CeO₂ NPs is analysed using the Thermo Gravimetric-Differential Thermal Analyser (TG-DTA) technique. The in vitro cytotoxic effect of CeO₂ NPs is tested against HCT 116 human colon cancer cell line using MTT assay. It is recorded that, IC50 of the CeO₂ NPs was 41.60 µg/mL. 62 % of cell viability is minimized at 40 µg/mL in 46 h. This result enhances the importance of using greener eco-friendly method for synthesizing CeO₂ NPs with effective anticancer activity.

12 illus, 1 table, 29 ref

044447   YALAVARTHI N R, GUNDOJU N, BOKAM R, PONNAPALLI M G (CSIR- Indian Institute of Chemical Technology, Telangana- 500 007) : Cu-doped zeolitic imidazolate framework catalysed highly selective conversion of alkynes to β-keto and vinyl sulfones using sodium sulfinates. J Chem Sci 2020, 131(1), 1582-5.

Cu2+ -doped zeolitic imidazolate framework-8 (ZIF-8)-catalyzed one-pot procedure to synthesize β-keto and vinyl sulfones by the direct oxysulfonylation and hydrosulfonylation of alkynes via radical reaction under mild conditions has been described. The advantages of this protocol included broad substrate scope and excellent β-keto and E-stereoselectivity. The Cu/ZIF-8 catalyst not only exhibited excellent performance but also had a great stability in the reaction, successfully allowing its reuse up to five cycles. This efficient Cu/ZIF-8 heterogeneous catalyst is explored for the first time to generate β-keto and vinyl sulfones.

42 ref

040481   GAURH P, PRAMANIK H (Chemical Engineering and Technology Dep, Indian Institute of Technology (Banaras Hindu Univ), Varanasi - 221 005, Email: hpramanik.che@itbhu.ac.in) : In-situ production of valuable aromatics via pyrolysis of waste polypropylene using commercial catalyst ZSM-5. Indian J Chem Technol 2020, 27(2), 144-52.

Waste polypropylene has been subjected to pyrolysis followed by in-situ aromatization in a specially designed semi batch reactor at the temperature ranging from 500 - 800°C. The molecules of interest are valuable aromatics benzene, toluene, ethyl benzene and xylene (BTEX) which appeared highest amount in the liquid mixture. The catalyst used is commercial ZSM-5 (30:1). The catalytic pyrolysis of PP is studied in a semi batch reactor in two different phases, keeping the catalyst in the liquid phase (L-type) and liquid and vapor phase/multiphase (M-type), respectively. The BTEX yield is enhanced significantly using multiphase catalytic pyrolysis of polypropylene. The catalytic performance of ZSM-5 catalyst for PP pyrolysis is evaluated with respect to target aromatics BTEX. The thermal pyrolysis of PP produced maximum liquid yield of 80.56 wt. % at a temperature of 700°C. The commercial catalysts ZSM-5 produced highest liquid yield of 86.3 wt. % for liquid phase (L-type) pyrolysis. The BTEX yield is significantly increased from 30.9 wt.% for thermal pyrolysis to 53.09 wt. % for catalytic multiphase/M-type pyrolysis. Almost 72 % increase in BTEX yield is recorded for catalytic multiphase/M-type pyrolysis in comparison to thermal process. The pyrolysis oil is analyzed using GC-FID, carbon residue test and other fuel testing methods to examine the suitability of its end use and aromatic content.

6 illus, 2 tables, 39 ref

040479   MERAJIN M T, NASIRI M, ABEDINI E, SHARIFNIA S (Chemistry Dep, Malek-ashtar Univ of Technology, Shahin-shahr P.O. Box 83145/115, Iran, Email: nasiri@mut.es.ac.ir) : Efficient photocatalytic CO₂ reduction by visible-light responsive Fe-doped WO₃ nanostructures. Indian J Chem Technol 2020, 27(2), 126-34.

The nanoparticles of WO₃ doped with Fe ions have been employed for University, Kermanshah photocatalytic conversion of greenhouse gaseous of CO₂ and CH₄ under visible-light irradiation. The photocatalysts have been characterized by XRD, FESEM, EDX, Raman, UV-vis, and PL techniques. The XRD and Raman spectroscopies confirm the monoclinic structure of WO₃ nanoparticles and also the successful incorporation of Fe ions into WO₃ lattice. A red shift in Raman patterns of Fe-doped WO₃ samples indicate the partial substitution of W with Fe ions and the structural defects induced in WO₃ crystals upon doping treatment. The recorded PL signals reveal that the charge carrier recombination rate can be inhibited by doping WO₃ with Fe ions. The modified samples show high activity by photons with wavelength equal to/greater than ~500 nm, the visible-light in green region. The best photocatalytic reduction of CO₂ is provided to be 38.7 % by WO₃ containing 4.18 at.% Fe under visible-light. Ethane, and formate and acetate derivatives are detected as the major products of CO₂ reduction.

9 illus, 37 ref

040478   LI Y, HUANG Z, XIA Y, SHI J, GAO L (Taiyuan Univ of Technology, Taiyuan, 030024, China, Email: liyuzhen123456@126 com) : Adsorption equilibrium, isotherm, kinetics, and thermodynamic of modified bentonite for removing Rhodamine B. Indian J Chem Technol 2020, 27(2), 116-25.

Anionic and cationic surfactant modified sodium bentonite (Na-Bt) has been prepared by the cationic surfactant cetyltrimethyl ammonium bromide (CTAB) and the anionic surfactant sodium dodecyl benzene sulfonate (SDBS) to sodium bentonite, respectively. The properties of the modified samples are characterized by XRD, SEM, BET and FT-IR. The results of characterization shown that the cationic surfactant had changed the structure and properties of natural sodium bentonite, which proved that surfactants had been successfully implanted into sodium bentonite. But anionic surfactant had no change, this manifested SDBS didn’t insert the layers of bentonite. In addition, adsorption experiments of Rhodamine B (RhB) proved that the modified sodium bentonite adsorption performance is greatly improved. The adsorption experiments also indicated that CTAB-bentonite had the largest adsorption capacity compared with SDBS-bentonite due to the formation of a highly effective partition medium by cationic surfactant micelle. The adsorption data of RhB is analyzed with the isothermal model, thermodynamics and kinetics. Overall, this study provided high-efficiency method for the removal RhB by the surfactant modified bentonite.

13 illus, 4 tables, 33 ref

040477   ÖZTEKIN M, SA?AÇIKEL Y (Chemical Engineering Dep, Hacettepe Univ, Beytepe, Ankara, Turkey, Email: yesims@haccettepe@edu.tr) : Investigation of adsorption of metronidazole on chitosan - halloysite nanocomposites and controlled release. Indian J Chem Technol 2020, 27(2), 101-15.

A novel nanocomposite drug carrier composing from chitosan (CTN) and halloysite nanotubes (HNTs) has been developed. For this purpose, the metronidazole (MNZ) is chosen as a model drug. The characterization of synthesized nanocomposites is performed by FTIR, TGA, DSC, SEM, TEM, BET and particle size distribution analysis. MNZ is loaded to chitosan-halloysite (CTN-HNT) nanocomposites in two ways; by direct loading and adsorption method. The adsorption of MNZ on CTN-HNT nanocomposites have been investigated as a function of medium pH, mass ratio of CTN to halloysite (HNT), amount of nanocomposite and drug concentration. The fit of MNZ adsorption equilibrium on CTN-HNT nanocomposites to the Langmuir and Freundlich models was investigated. The adsorption kinetics of MNZ on nanocomposites have been evaluated using the pseudo-first order rate equation of Lagergren and the pseudo-second-order rate equation of Mc-Kay and Ho. The controlled release of MNZ from CTN-HNT nanocomposites has also been investigated.

12 illus, 6 tables, 30 ref

040476   SHARMA D, CHAUDHARI P K, PAWAR N, PRAJAPATI A K (Chemical Engineering Dep, Institute of Engineering and Science Indore, Indore - 452 001, Email: abhineshgtk@gmail.com) : Preparation and characterization of ceramic microfiltration membranes for removal of Cr (VI) and Pb from electroplating effluent. Indian J Chem Technol 2020, 27(4), 294-302.

Present work deals the removal of Cr (VI) and Pb from electroplating effluent (EPE) using ceramic membrane MD-1 (ceramic membrane without coating) and MD-2 (ceramic membrane with chitosan coating). Uniaxial compaction followed by sintering process has been applied to prepare the membrane from locally available clay. Results indicate that maximum removal of 65 % Cr (VI) and 68 % Pb has been achieved by use of MD-1 membrane, while, MD-2 removed 81 % Cr (VI) and 93% Pb, from the initial feed concentration of 55.3 mg/dm³ Cr(VI) and 3.5 mg/dm³ Pb at optimum operating condition pH 3.5 and applied pressure 300 kPa.

9 illus, 5 tables, 27 ref

040475   RAHIMI S, MOHAMMADI F, YAVARI Z (Environmental health Dep, Islamic Azad Univ, Firoozabad, Iran, Email: fm_1363@hlth.mui.ac.ir) : Removal of RR198 dye by TiO₂/Fe₃O₄/persulfate nanoparticles under UV-LED irradiation and comparision of OFAT and CCD experimental design in RSM modelling. Indian J Chem Technol 2020, 27(4), 283-93.

The photocatalytic activity of TiO₂/Fe₃O₄ nanocomposite has been determined. The XRD spectrum and FESEM analysis have been used to evaluate TiO2 / Fe3O4 nanoparticles. The photocatalytic activity of nanoparticles is assessed by degradation of the RR198 solution under the influence of UV-LED radiation. Response Surface Methodology (RSM) is employed to determine the relationships between the studied parameters. The experiments were designed and performed in two ways: One-factor-at-a-time method (OFAT) and Central composite design (CCD). Here nanoparticles with synergistic effect of S₂O₈^2- were very successful in eliminating the dye. The results of the RSM model with the two mentioned experiment design methods indicated that the model derived from the CCD method had a better predictive capability and favoured from the ability to generalize to other results rather than OFAT method.

9 illus, 4 tables, 24 ref

040474   CHOPRA I, SINGH P K, SINGH S B (Agricultural Chemicals Div, ICAR-Indian Agricultural Research Institute (IARI), New Delhi - 110 012, Email: tinaindu@gmail.com) : Kinetics and equilibrium studies for methylene blue removal from simulated wastewater effluents using agricultural waste, Parthenium hysterophorus L.. Indian J Chem Technol 2020, 27(4), 274-82.

Batch adsorption experiments have been carried out for the removal of cationic dye, methylene blue from aqueous solutions by using Parthenium hysterophorus L. as biosorbent. The effect of major variables such as pH, initial concentration, adsorbent dose and contact time has been investigated for the sorption of methylene blue on the low cost adsorbent. Equilibrium data were fitted in Freundlich, Langmuir and Temkin isotherm models and their constants are determined. The data could best be explained by Freundlich isotherm with maximum adsorption capacity (q_o) of 40.79mgg^-1. Kinetic modeling for methylene blue adsorption is done using pseudo-first-order, pseudo-second-order and intraparticle diffusion models. It is found that the pseudo-second-order kinetic model most appropriately described the adsorption kinetics. The result indicates that the weed biomass can effectively be used for methylene blue removal from simulated aqueous solutions.

10 illus, 6 tables, 40 ref

040473   SANGITA S, PANDA C R (Environment & Sustainability Dep, CSIR-Institute of Minerals & Materials Technology, Bhubaneswar - 751013, Email: drpanda_cr@yahoo.com) : Kinetics of aluminium leaching from coal fly ash by sulphuric acid. Indian J Chem Technol 2020, 27(4), 263-73.

The extraction of aluminium from coal fly ash (CFA) is an important industrial process and has produced commercial interest. However, the leaching kinetics of aluminium has received little attention. This work, therefore, addresses the leaching kinetics of aluminium from fly ash in sulphuric acid. A shrinking core model has been used to investigate aluminium extraction kinetics and its results are presented. The effects of leaching time, solid to liquid ratios and reaction temperature on aluminium extraction rate are studied. The process optimization reveals that the extraction rate can reach up to 68.68 % when the fly ash reacts with sulphuric acid at a 1:3 solid to liquid ratios of fly ash / H₂SO₄ (100 g / 300 mL) at 220°C for 4 hour reaction time. The sulphuric acid concentration was maintained constant at 18 M. The leaching rate increases with increasing temperature and solid to liquid ratios. The leaching kinetics indicates that chemical reaction at the surface of the particles is the rate-controlling process during the reaction. The shrinking core model enabled the determination of activation energy of about 60.85 kJ/mol, which is likely to be a consequence of the chemical reaction at the surface of the particles.

10 illus, 3 tables, 37 ref

040472   SRIVASTAVA A, KUMARI M, PRASAD K S (Allahabad Univ, Allahabad, Uttar Pradesh, Email: suranjit@gmail.com) : Biogenic nanozirconium in hydrogel beads for fluoride removal: Equilibrium, thermodynamic and kinetic studies. Indian J Chem Technol 2020, 27(3), 248-53.

In the present research work, removal of fluoride from aqueous solution using fenugreek leaf mediated Zr nanoparticle entrapped in calcium alginate beads has been attempted. The adsorption study for removal of fluoride from aqueous solution of defined concentrations has been carried out in batch mode followed by its estimation using ion-chromatography. Synthesized Zr nanoparticles are subjected to various analyses e.g. SEM, TEM, SAED EDAX and FTIR, revealing zirconium an integral component. The adsorption capacity of Zr entrapped calcium alginate beads for fluoride is found to be 90.90 mg/g. The Langmuir isotherm model best fits on equilibrium data since it provides higher R² value than Freundlich model similarly, pseudo-second order kinetic model could better explain adsorption kinetic in comparison to pseudo first order model by presenting better correlation coefficient. The overall study suggests that Zr nanoparticles entrapped in alginate beads could be a better candidate for removal of fluoride from aqueous solution.

6 illus, 2 tables, 21 ref

040471   KANE P B, CONTRACTOR A, BARWAR S, KALE R D (Fibers and Textile Processing Technology Dep, Institute of Chemical Technology, Mumbai - 400 019, Email: rd.kale@ictmumbai.edu.in) : Banana leaves mediated bio-synthesis of silver nanoparticles. Indian J Chem Technol 2020, 27(3), 243-7.

Silver (Ag) ions are successfully reduced to stable silver nanoparticles (AgNPs) using banana leaves. Conversion of Ag ions to AgNPs has been confirmed by UV-VIS analysis. The result of change on independent variables, i.e. temperature and strength of reducing agent on absorbance of solution and optimization of parameters has been done using response surface methodology (RSM) as per central composite design (CCD). The type of chemical group present on the nanoparticles is studied using fourier-transform infrared spectroscopy (FT-IR). Estimation of the size of particles has been done using transmission electron microscopy (TEM) and nanoparticle size analyzer. The crystallinity of the nanoparticles formed has been confirmed using XRD. Energy dispersive X-ray analysis (EDX) data is used to confirm the nanometal present.

8 illus, 3 tables, 28 ref

040470   LI Y, LIN J, WANG G, LIU G (Zunyi Normal Coll, Zunyi, 563006, China, Email: liyoufeng2005@sina.com) : Preparation of a CeO₂/γ-Al₂O₃ composite and its catalytic degradation performance. Indian J Chem Technol 2020, 27(3), 235-42.

CeO₂/γ-Al₂O₃ composite catalyst has been prepared using CeO₂ as an active component and γ-Al₂O₃ as a support to remove dye from wastewater by catalytic degradation. The catalytic performance of the CeO₂/γ-Al₂O₃ sample for the degradation of methylene blue is studied under visible light irradiation. The results show the presence of γ-Al₂O₃ and CeO₂ with a cubic fluorite structure in the CeO₂/γ-Al₂O₃ samples synthesized at 550°C. Small CeO₂/γ-Al₂O₃ particle and a good dispersion of CeO₂ are achieved with loading of CeO₂. The loading of CeO₂ on γ-Al₂O₃ also increases the total pore volume and pore diameter, which results in a high specific surface area of 132.03 m²/g, a total pore volume of 0.74 cm³/g, and a mean pore diameter of 22.54 nm. The photocatalytic degradation efficiency of methylene blue by the CeO₂/γ-Al₂O₃ catalyst is higher than those of CeO₂ and γ-Al₂O₃. Under the same conditions the CeO₂/γ-Al₂O₃ catalyst achieves 98.36 % degradation at 80 min, higher 5.0 % and 11.9 % degradation than CeO₂ and γ-Al₂O₃, respectively. The high efficiency is attributed to promotion of the structural and textural performance of the CeO₂/γ-Al₂O₃ catalyst by synergistic interaction between CeO₂ and γ-Al₂O₃. These performances promote a larger surface area, higher content of acid sites, more •OH radicals and higher redox properties of the catalyst. The catalytic reaction kinetics could be fitted by the heterogeneous Langmuir-Hinshelwood model and the pseudo-first order rated constant for k_app is 17.5×10⁻², which is 1.33 and 2.5 times as big as those of CeO₂ and γ-Al₂O₃, respectively. CeO₂/γ-Al₂O₃ catalyst suggests promising application for practical dye pollutant treatment.

10 illus, 1 table, 27 ref

040469   YAVARI Z, NEMATIYAN S, SARAVENI H, NOROOZIFAR M (Chemistry Dep, Sistan and Baluchestan Univ, Zahedan, P.O. Box 98135-674, Iran, Email: z_yavari@chem.usb.ac.ir) : A simple strategy to increase inhibitory activity of chitosan towards iron corrosion in acidic media. Indian J Chem Technol 2020, 27(3), 227-34.

The chitosan as a natural and inexpensive polymer is considered as an appropriate choice towards the corrosion inhibitory. Here, the corrosion and inhibition efficacy of iron sheets is examined in the H₂SO₄ solution and the presence of chitosan and potassium iodide as an inhibitor through gravimetry, potentiodynamic polarization, and impedance analyses. The inhibition performance is found to be enhanced by adding chitosan concentration. The experimental data demonstrate that the doping iodide ion to chitosan is efficient on the surface coverage and the inhibition performance. The introduced inhibitors are of the interface inhibitors → liquid phase → mixed type with the physical adsorption. The adsorption of iodized chitosan on the iron surface is followed Langmuir isotherm. These inhibitors, by changing the electrical double layer, increase the resistance of charge transfer. The existence of iodide in the chitosan structure improves the electron density of polymer and strengthens the interaction between inhibitor and metal.

6 illus, 7 tables, 21 ref

040468   SRIVASTAVA A, MANDAL P, KUMAR R (Chemistry Dep, Guru GhasidasVishwavidyalaya, Bilaspur - 495 009, Email: artifeb@gmail.com) : Anionic natural graft copolymer used in removal of hazardous dye water pollutants. Indian J Chem Technol 2020, 27(3), 219-26.

The carboxymethyl cellulose (CMC), guar gum, sodium alginate and chitosan etc. are natural polysaccharides. This paper presents the synthesis and characterization of natural polymer carboxymethyl cellulose (CMC) and synthetic monomer acrylic acid (AA) based graft copolymer (CMC–g–AA) and its applications in removal of Methylene blue dye from industrial effluents. CMC–g–AA has been synthesized using free radical initiator and characterized by FTIR, TGA, and SEM analysis. The AA concentration has been varied from 5.5 x 10^-2 to 35.5 x 10^-2 mol dm^-3 to get maximum grafting of AA monomer onto CMC. The FTIR spectral analysis proves the successful grafting. The synthesized graft copolymer (CMC–g–AA) has been applied in adsorption of a water soluble monovalent cationic dye such as Methylene Blue.

11 illus, 48 ref