Abstract Book-RACSE 2021

RACSE-EP-04 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Synthesis of Green iron oxide nanoparticles by using plant extracts: A review Ankit1, Keshu1-2, Uma Shanker1, Manviri Rani2 1Department of Chemistry, Dr. B. R. Ambedkar Malaviya National Institute of Technology, Jalandhar, Punjab, India, [email protected] 2 Malaviya National Institute of Technology, Jaipur, Rajasthan, India, [email protected] Abstract: Green synthesis of iron oxides nanoparticles is easily scaled up, low cost, rapid, conducted at room temperature, pressure and environmentally benign. Plants based materials seem to be the best candidates and they are suitable for large-scale biosynthesis of nanoparticles. Plant have potential to accumulate certain number of heavy metals in their diverse form, plants parts such as leaf, root, latex, seed and stem are being used for iron oxide nanoparticles synthesis. The key active agent in some of these syntheses are believed to be polyphenols, present for example in tea, wine and red grape pomace. Iron oxide nanoparticles (NPs) have attracted much consideration due to their unique properties, such as super paramagnetism, surface-to-volume ratio, greater surface area, easy separation methodology, and catalytic property. Magnetic iron oxide nanoparticles were synthesized by green method has various of application such as degradation of remazol yellow RR dye, delivery for magnetic resonance imaging, Detection of heavy metals in waste water etc. Keywords: Green synthesis, Iron oxide nanoparticles, Nano catalysis. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-05 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Polyaniline-Metal oxide-nano-composite as photo-catalytic and magnetic material Harish Kumar1 and Ankita Yadav1 1. Dept. of Chemistry, School of basic Sciences, Central University of Haryana, Mahendergarh- 123031 Abstract: Nanotechnology is the engineering of nanoscale material to create and distinguish substrates having enormous capacity to transform society. In recent years, Nano-composites are one of the emerging research areas due to their advanced functional applications in material science such as optics, electrical conductivity, recording and data-storing media, catalysis, sensors and biosensors, antibacterial, anticorrosive etc. The Ni, Cu and Zn metal oxide (NCZMO) nanocomposites were synthesized by a facile sol-gel method. Conducting polymer polyaniline was synthesized by low temperature chemical synthesis method. Insitu technique was used to synthesize NCZMOPolyaniline (PANI) nanocomposite. Metal nanoparticles, polyaniline and metal oxide-polyaniline nano-composite were characterized by UV-visible, FTIR, FESEM and TGA/DTA techniques. Magnetic and photocatalytic properties of NCZMO-PANI nano-composite was studied. Magnetic property of NCZMO-PANI nano-composite was in Gouy’s balance and was found to be paramagnetic in nature. NCZMO-PANI nanocomposite was found to be thermally stable up to 650 0C. Hence, synthesized NCZMO-PANI nano-composite has large number of applications in the field magnetic and photocatalysts material. Keywords: Metal nanoparticles, nano-composites, Sol-gel method, polyaniline, Photocatalytic. References: 1. D. Veer, Rammeharsingh, H. Kumar, Chemical Science Transactions 7 (2018) 3 2. NM. Alandis and AA. Ansari, Journal of nanometrials 21, (2013), 458 3. S. Khasim and KC. Sajjan, Bull. Mater. Sci. 34, (2011), 1561. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-06 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Effect of hydrogen bond donors in the properties of deep eutectic solvents: A molecular dynamics simulation study Deepak Kumar Panda and Dr. B.L. Bhargava* School of Chemical Sciences, NISER , HBNI, Bhubaneswar, India [email protected] Abstract: Deep Eutectic Solvents (DESs) are mixtures of two or more components which are usually solids in their pure state but when mixed in proper ratio produce a liquid with very high depression in freezing point. All atom molecular dynamics simulations have been performed on two different DESs having tetrabutylammonium chloride as hydrogen bond acceptor (HBA) and two hydrogen bond donors (HBD) glycerol and ethylene glycol to study the effect of HBDs on the properties of DESs. Interaction between anion and HBD was found to be the key interaction from structural analysis using radial and spatial distribution functions. The mean hydrogen bond lifetime was found to be higher in the glycerol system compared to ethylene glycol. Mean squared displacement values of DES having ethylene glycol as HBD is higher than that of having glycerol due to greater extent of hydrogen bonding in the latter. Interface is enriched with ions of DESs compared to the bulk region and this enrichment is significant in DES with glycerol as hydrogen bond donor. Keywords: DES; HBD; HBA; RDF; SDF References: 1. Panda, D. K.; Bhargava, B. L. Intermolecular interactions in tetrabutylammonium chloride based deep eutectic solvents: Classical molecular dynamics studies, J.Mol.Liq. 2021, 335, 116139. 2. Abbott, A. P. ; Capper, G.; Davies, D. L.; Rasheed, R. K.; Tambyrajah, V. Novel solvent properties of choline chloride/urea mixtures, Chem. Commun. 2003, 1, 70–71. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-07 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Formation of C-C and C-X (X= N, O & S) Bonds by Sustainable Metal-Free Catalysis Deepak Singh and Soumitra Maity* Department of Chemistry, IIT(ISM) Dhanbad, Jharkhand -826004 Email: [email protected] Abstract: 1,4-Ketocarbonyl compounds have proven themselves a very interesting and versatile building block to access various important carbocyclic as well as heterocyclic compounds.1 We have developed a metal free protocol to access 1,4-ketocarboyl compound through oxidative radical coupling of styrenes with diverse bromocarbonyls under photoredox catalysis [Scheme A].2 The method is mild, operationally simple, chemo-selective and exhibits broad substrate scope with excellent functional group compatibility. In addition to that, molecular iodine catalysed synthesis of imidazo-heterocyclic and its regioselective C-3 Sulfenylated products were executed from simple pyridines with oxime-esters through formation of iminyl radical [Scheme B].3 Keywords: Metal free, Photoredox catalysis, 1, 4 ketocarbonyls, Iodine, Imidazo-heterocycles. References: 1) (a) Zheng, C.; Dubovyk, I.; Lazarski, K. E.; Thomson, R. J. Enantioselective Total Synthesis of (−)-Maoecrystal V. J. Am. Chem. Soc. 2014, 136, 17750. 2) Chowdhury, S.R.; Singh, D.; Hoque, I.U.; Maity, S. Organic Dye-Catalyzed Intermolecular Radical Coupling of α-Bromocarbonyls with Olefins: Photocatalytic Synthesis of 1, 4 Ketocarbonyls Using Air as an Oxidant. J. Org. Chem. 2020, 85, 13939. 3) Singh, D.; Chowdhury, S. R.; Pramanik, S.; Maity, S. Molecular Iodine Enabled Generation of Iminyl Radicals from Oximes: A Facile Route to Imidazo[1,2- a]pyridines and its Regioselective C- 3 Sulfenylated Products from Simple Pyridines. Tetrahedron 2021, 88, 132125. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-08 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference A mini review: Elemental Sulfur as a Powerful Reagent/Catalyst for the Synthesis of Biologically Potential Sulfur Embedded Organic Frameworks Deepika1, Virender Singh2, Ajay Bansal1 1Department of Chemistry, Dr. B.R Ambedkar National Institute of Technology, Jalandhar, G.T. Road, Amritsar Bye-Pass, Jalandhar (Punjab), India – 144011 2Department of Chemistry, School of Basic and Applied Sciences, Central University of Punjab, Ghudda, Bathinda (Punjab), India – 151401 Email: [email protected] Abstract: Elemental sulfur, an odourless non-metal has been known since the ancient times but its use remained in dormant stage with limited applications as constituent of gun powder and reagent for vulcanization of rubber and for synthesis of sulfuric acid. Despite vast abundance in nature, use of elemental sulfur in organic synthesis remained un-explored for a long period of time. However, during the recent past, there have been exponential growth towards synthesis of sulfa-heterocycles and its credit goes to the elemental sulfur. The reason for this recent tremendous progress is that the chemical reactivity of elemental sulfur (S8) have been revisited leading to better understanding of its properties which have been powerfully exploited and elegantly applied in organic synthesis. This review highlighted the new dimensions of chemical reactivity and significance of elemental sulfur as not meagre oxidant but also as substrate, reductant and redox catalyst. This review served as catalyst for “Sulfur Chemistry” and synthesis of sulfa-heterocycles and caused exponential progress in development of elemental Sulfur chemistry. Keywords: Elemental sulfur, organo-sulfur compounds; sulfur; sulfur heterocycles; sulfuration References: 1. T. B. Nguyen. “Recent Advances in Organic Reactions Involving Elemental Sulfur”. Adv. Synth. Catal., 359, 2017, 1066-1130. 2. S. Liu, G.-J. Deng, H. Huang. “Recent Advances in Sulfur-Containing Heterocycle Formation via Direct C–H Sulfuration with Elemental Sulfur”. Synlett, 32(02),2021,142-158 Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-09 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Green Chemistry : An Approach Towards Eco-Friendly Environment Dr. Jaya Gupta Department of Chemistry, Agra College Agra E.mail : [email protected] Abstract: Green Chemistry is an important area for science and technology to pursue for the benefit of the environment, industry and the general public health. Green chemistry by the design of environmentally compatible chemical reactions offers the tool to approach pollution and sustainability concerns at the source. It looks at the challenges, facing the chemical industry to encompass sustainable development by incorporating an environmentally “benign by design” approach to all aspects of the chemical industry. It encompasses all aspects and types of chemical processes, including synthesis, catalysis, analysis, monitoring , separations and reaction conditions that reduce the impacts of ions on human health and the environment relative to the current state of the art. Green Chemistry is defined as “The invention, design and application of chemical products and processes to reduce or to eliminate the use and generation of hazardous substance”. Key Words : Green Chemistry, environment, green synthesis etc. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-10 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Green synthesis of sunlight responsive nickel oxide doped hexacyanocobaltate nanostructures for efficient photo degradation of pesticides Jyoti Yadav, Manviri Rani1* [email protected], [email protected] 1Department of Chemistry, Malaviya National Institute of Technology, Jaipur Rajasthan, India- 302017 Abstract: Nanotechnology is a multidisciplinary science deals with the generation of novel materials with nanoscale dimension i.e. 1-100 nm whether they are in solid, liquid and gaseous state. Various metal/metal oxides based nanocomposites are synthesized by different conventional and advanced method. Green method is one the advanced oxidation method, easy to handle, costeffective, and required non- toxic chemicals for the synthesis of nanoparticles. Micro- organisms and plant part are used as extract and further reduces the metal salt into respective nanoparticles. A novel NiO@ZnHCC nanocomposite was synthesized by Sapindus mukorossi seed extract. This is further used for significantly reduction of hexavalent chromium (Cr6+) metal ion into trivalent (Cr3+) from simulated water under direct Sunlight. Cr6+ is is superior pollutant and suspected carcinogen with high persistence while Cr (III) is being used as micronutrient High surface and surface charge enhances the adsorption capability. Coupling of hexacyanocobaltates reduces the band gap and prevent electron/ holes recombination. High surface activity, reusable up to ten-cycles, stability and greater charge separation led to furtherance of huge number of electrons, NiO@ZnHCC might be used as an efficient- photocatalyst for industrial applications with bright future. Keywords: NiO@ZnHCC nanocomposite, green synthesis, Chromium Removal, Photocatalysis Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-11 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference A review on Hydrogel: Formulation and Applications Karuna , Dr. Rajeev Jindal Department of chemistry, Dr. B.R Ambedkar National Institute of Technology, Jalandhar, G.T. Road, Amritsar Bye-Pass, Jalandhar (Punjab), India – 144011 *Corresponding Author E-mail: [email protected] Abstract: Hydrogels are unique polymeric material that exhibit the ability to swell and retain a significant fraction of water within its structure, but will not dissolve in water. The presence of chemical residues such as carboxylic, sulfonic amidic, hydroxyl, primary amidic, and others that can be found within the polymer network backbone or as lateral chains mainly attributes to the hydrophilicity of the network. Hydrogels have potential in hi-tech polysaccharide applications in the biomedical, pharmaceutical, biotechnology, biosensor, agriculture, oil recovery and cosmetics fields. The presented review demonstrates the literature concerning classification of hydrogels on different bases, physical and chemical characteristics of these products and technical feasibility of their utilization. Keywords: Hydrogels; applications; biomedical; biosensor; polysaccharide References: 1. Ahmed, E. M. (2015). Hydrogel “Preparation, characterization, and applications”: A review. Journal of Advanced Research, 6(2), 105–121. doi: 10.1016/j.jare.2013.07.006 2. Qinyuan Chai, Yang Jiao and Xinjun Yu (2017) “Hydrogels for Biomedical Applications: Their Characteristics and the Mechanisms behind Them”: 3, 6; doi:10.3390/gels3010006 3. ROSIAK, J. (1994). “Radiation formation of hydrogels for drug delivery”. Journal of Controlled Release, 31(1), 9–19. doi:10.1016/0168-3659(94)90246-1 Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-12 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Green synthesis, kinetics and photoactivity of novel titanium dioxide coupled bismuth oxide nanocomposite for efficient removal of organic pollutants Keshu1, Uma Shanker1, Manviri Rani2 1 Department of Chemistry, Dr. B.R. Ambedkar National Institute of Technology, Jalandhar, Punjab, India, [email protected] 2 Department of Chemistry, Malaviya National Institute of Technology, Jaipur, Rajasthan, India, [email protected] Abstract: Herein green and facile methodology used for the structural design of semiconductor nanomaterials and employed as efficient photocatalyst to resolve the environmental issues of water pollutants. Titanium oxide coupled with bismuth oxide (TiO2@Bi2O3) nanocomposite was synthesized by employing the seed extract of Sapindus mukorossi (commonly found plant in India) and subsequently used for the elimination of toxic, and persistence industrial pollutants namely bisphenol A (BPA) and methylene blue (MB). The parameters of degradation were optimized by varying the pollutant concentration, catalytic amount and pH in the presence of natural sunlight. The nanocomposite TiO2@Bi2O3 showed maximum degradation (MB: 94% and BPA: 91%) at a minimum concentration of pollutant (50 mgL-1) with catalyst amount (35 mg), neutral pH and reduces half-life of pollutants (BPA: 1h, MB: 0.5h). Owing of higher surface area (80 m2g-1), lower band gap (2.5 eV), and more negative zeta potential value (-40.3 mV) results into excellent photocatalytic properties. GC-MS analysis revealed the degradation of toxic pollutants into safer metabolites and finally mineralized. Multiple times (n=8) reusability of green photocatalyst advocated sustainability and appropriate for industrial applications. Keywords: Green synthesis, TiO2@Bi2O3 nanocomposite, Photodegradation, Bisphenol A, Methylene Blue Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-13 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Microwave assisted synthesis of chitosan and sodium alginate-based nanocomposite containing inclusion complexes of β-cyclodextrin and amlodipine besylate for sustained drug delivery systems Khushbu1, Rajeev Jindal1 Polymer and Nanomaterial Lab, Department of Chemistry, Dr B R Ambedkar National Institute of technology, Jalandhar-144011 (Punjab), INDIA Email (Corresponding Author): [email protected] ; Tel: +91-6283909926 Abstract: The aim of present work to prepare inclusion complexes of amlodipine besylate (APB) drug and β-Cyclodextrin (β-CD) by microwave and kneading method for sustain release of drug. The complexation of APB with β-CD was characterized by 1H NMR and XRD. A nanocomposite was synthesized by incorporating the graphene oxide (GO) in the polymer network of chitosan (CH) and sodium alginate (ALG) under microwave conditions. Poor loading of drugs in traditional drug delivery was improved by introducing inclusion complexes (ICs) directly into the nanocomposite. The operation parameters like ratio of backbones, time, amount of solvent, amount of graphene oxide and pH were optimized by response surface methodology (RSM) in order to obtain maximum percentage swelling. From normal plot and pareto chart it was found that ratio of backbones, amount of GO and solvent are the optimized variables. Furthermore, to get most optimized variables central composite design (CCD) was analyzed. The ICs were directly loaded into the nanocomposite and their release kinetics was studied by six kinetic models under different pH at 37⁰C. The preparatory kinetic analysis, acknowledge that the cyclodextrin affects the relaxation rate of nanocomposite, leading to slower release of drug. Keywords: Amlodipine besyalte; Central composite design; β-cyclodextrin; Inclusion complexes Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-14 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Ruthenium Catalyzed Dehydrogenation of Alcohols and Mechanistic Study Mahendra K. Awasthia and Sanjay K. Singha aDepartment of Chemistry, School of Basic Sciences Indian Institute of Technology (IIT) Indore, Simrol, Indore 453552, Madhya Pradesh, India. E-mail: [email protected] Abstract: Catalytic acceptorless dehydrogenation of alcohols to produce acids along with hydrogen gas is a prominent conversion as alcohols are the appropriate candidate for molecular hydrogen gas storage.[1] Alcohol dehydrogenation process is an atom economic process by generating hydrogen gas (a potential fuel) along with the desired carboxylic acid (industrial importance). Herein, we are synthesized pyridylamine ligated arene-Ru complexes [Ru]-1 - [Ru]- 10 and employed over the catalytic acceptorless dehydrogenation of primary alcohols to carboxylic acids in toluene with the qualitative release of H2 gas.[2] The gas generation monitored via water displacement method and characterized using GC-TCD as hydrogen. All the complexes [Ru]-1 - [Ru]-10 are well characterized using several spectro-analytical techniques such as 1H NMR, 13C NMR and ESI-MS and also the structure of the complexes [Ru]-1, [Ru]-2 and [Ru]- 5 are determined using single crystal X-ray crystallography. The substrate scope for carboxylic acids synthesis with hydrogen generation is also studied over stabilized protocol and employed over a wide range of substrates (aliphatic alcohols, aromatic alcohols and hetero aromatics alcohols) to obtain respective carboxylic acids in good yields (up to 86%). The arene-Ru catalysts [Ru]-1 also displayed superior catalytic behavior to achieve the turnover of 1378 for the bulk reaction. In addition, detailed mass investigations also carried out to explain the mechanistic pathway by identifying main catalytic intermediates, including aldehyde and diolcoordinated Ru species, under catalytic and controlled reaction conditions. References: [1] Campos, J., Phys. Sci. Rev., 2018, 3, 1-25. [2] Awasthi, M. K., and Singh, S. K., Inorg. Chem., 2019, 58, 14912−14923. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-15 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Integration of Iron into three dimensional Cobalt Metal-Organic Framework for electrochemical Oxygen Evolution Reaction Malaya K. Sahoo,a,b Aneeya K. Samantara,a,b J. N. Beheraa,b* School of Chemical Science a National Institute of Science Education and Research,(NISER), Khurda 752050, Odisha, India b Homi Bhabha National Institute,(HBNI), Mumbai, India ([email protected]) Abstract: The development of an active OER electrocatalyst has remained indispensable for the scalable production of hydrogen.1 The incorporation of iron (Fe) into cobalt metal-organic framework (Co-MOF) tunes the electronic structure of the parent MOF as well as enhances their electrocatalytic characteristics.2 Herein, we have synthesized new Co-MOF, Fe-MOF, and series of Co/Fe-bimetallic MOFs using pyrazine and hydrofluoric acid, and respective metalsulfate sources with a general formula of [CoFC4H4N2(SO4)0.5], [FeFC4H4N2(SO4)0.5], and [Co1- xFexFC4H4N2(SO4)0.5] respectively, via a single-step solvothermal method. The assynthesized MOFs are directly employed for the evaluation of their electrocatalytic performances. The optimized amount of Fe significantly impacted the electrocatalytic performance of the bimetallic MOF towards water oxidation. Particularly, the Co0.75Fe0.25-MOF needs only 239 and 257 mV of overpotential to deliver 10 and 50 mA/cm2 current density in alkaline electrolytic conditions. The Co0.75Fe0.25-MOF shows a lower Tafel slope (42 mV/dec.) among other bimetallic MOFs and even the commercial RuO2 and excellent durability (with ~8 mV increases in overpotential after 18 hours of electrolysis) and 97.05% Faradaic efficiency which further evidenced its catalytic Excellency. These findings explore the intrinsic properties of MOF-based electrocatalysts and prospect the suitability for future water electrolysis. Figure: Keywords: Metal-Organic Framework, Bimetallic MOF, Overpotential, Tafel’s slope, Turnover Frequency, Faradic efficiency. References: 1 J. Du, F. Li and L. Sun, Chem. Soc. Rev., 2021, 50, 2663–2695. 2 W. Zheng and L. Y. S. Lee, ACS Energy Lett., 2021, 6, 2838–2843. 3 M. K. Sahoo, A. K. Samantara and J. N. Behera, Inorg. Chem., 2020, 59, 12252–12262. 4 M. K. Sahoo, A. K. Samantara and J. N. Behera, Inorg. Chem.,2021,60 DOI:10.1021/acs.inorgchem.1c01857. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-16 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Transition-Metal-Catalysed Cross Coupling Reaction of N‑Tosylhydrazones to Construct Bioactive Heterocycles Vartika Vaishya, Meenakshi Pilania* Department of Chemistry, Manipal University Jaipur, Jaipur (Rajasthan), VPO- Dehmi-Kalan, Off Jaipur-Ajmer Express Way, Jaipur (Rajasthan), India 303007 E-mail: [email protected] Abstract: N-Tosylhydrazones are highly versatile precursors for the in situ carbene formation and frequently used in metal catalyzed cross coupling reactions. Recently, N-tosylhydrazones have received much attention due to various applications in organic synthesis involving C-C [1], C-O, C-N and C-S bond formations. This reagent can be easily synthesized by the reaction of aldehyde and ketone with N-tosylhydrazine to produce solid form of N-tosylhydrazone [2]. Under suitable metal catalyst N-tosylhydrazone showed versatile substrate scope in the synthesis of substituted diaminopyroles [3], chromenopyrazoles, alkenylpyrazoles [4], benzofuranthioethers [5], tetrahydropyridazines [6], sulfur-containing heterocycles [7], benzofuran [8] having potent biological activities, even in the regioselective N-functionalization reactions [9]. Exploration of metal catalyzed cross coupling reactions with N-Tosylhydrazone is still highly demanded. In this context, the present study will be focusing on N-tosylhydrazone-containing complex molecular systems and some limitations associated with this reagent. Keywords: N-tosylhydrazone, metal catalysis, cross coupling reaction, regioselective Nfunctionalisation References: 1) C. C. C. Johansson Seechurn.; M. O. Kitching; T. J. Colacot; V. Snieckus, Angew. Chem., Int. Ed. 2012, 51, 5062−5085. 2) D. Arunprasath, P. Muthupandi, and G. Sekar, Org. Lett. 2015, 17, 21, 5448–5451. 3) Q. Zhang, M. Tang, S. Zhang, and Z. Wei, Organic Letters 2020 22 (13), 5182-5186. 4) S. H. Kurma, B. Sridhar, and C. R. Bhimapaka, The Journal of Organic Chemistry 2021 86 (3), 2271-2282 5) X. Li, S. Mai, X. Li, J. Xu, H. Xu, and Q. Song,Organic Letters 2020 22 (20), 7874-7878. 6) E. Azzi, G. Ghigo, S. Parisotto, F. Pellegrino, E. Priola, P. Renzi, and A. Deagostino,The Journal of Organic Chemistry 2021 86 (4), 3300-3323. 7) Z. Cai, Z.Yao, and L. Jiang,Organic Letters 2021 23 (2), 311-316. 8) D. Lamaa, C. Hauguel, H.Lin, E. Messe, V. Gandon, M. Alami, and A. Hamze, The Journal of Organic Chemistry 2020 85 (21), 13664-13673. 9) Y. Wu, Y.Wu, J. Wu, D. Xu, H. Jiang, W.Chang, and C.Ma,The Journal of Organic Chemistry 2021 86 (9), 6918-6926. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-17 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Photodegradation of bisphenol A by green synthesized ZnO@ ZnHCF framework under sunlight irradiation Meenu1*, Manviri Rani1, Uma Shanker2 1Department of chemistry Malaviaya National Institute of TechnologyJaipur, Rajasthan, India- 322017 2Department of chemistry Dr B R Ambedkar National Institute of TechnologyJalandhar, Punjab, India-144011 *[email protected], [email protected], [email protected] Abstract: Bisphenol-A (BPA) is ubiquitous organic pollutant containing two benzene rings and potentially known to endocrine disruptor. It is highly persistent and resistant to chemical degradation, continuously added in environment by mean of anthropogenic activities cause a genetic toxicity in human and animals. There is urgent need for photocatalytic degradation of toxic BPA from wastewater, by novel green synthesized nanoparticles. In this direction, Zinc oxide-based zinc hexacyanoferrate (ZnO@ZnHCF) nanocomposite was synthesized via A. indica plant extract. Green synthesized nanocomposite consisted of ZnO wrapped ZnHCF distorted nanocubes piled together revealed by FE-SEM and XRD analysis. At optimum conditions, photodegradation of BPA followed first-order-kinetics involving initial Langmuir adsorption isotherms. Improved surface area and low band gap revealed superior photocatalytic activity of nanocomposite (ZnO@ ZnHCF) as compared to the individual nanoparticles. GC–MS revealed presence of smaller and safer by-products clearly supported electron excitement from nanocomposite followed by photooxidation of BPA with huge amount of OH radicals. Overall, nanocomposite has greater surface-area, reusable up-to ten-cycles and better charge separation of electron/hole led to almost degradation of BPA and supposed an auspicious photocatalyst. The present technique advantage of its cost-effectiveness, easy reproducibility, and eco- friendliness for nanoparticles synthesis as well as photocatalysis of pollutants. Keywords: Nanocomposites, green synthesis, Bisphenol-A, photocatalysis Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-18 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Synthesis of nanomaterials from various wastes and their new age applications Meeraa, Manviri Rania, Uma Shankerb a. Department of Chemistry, Malaviya National Institute of Technology Jaipur, Rajasthan, India -302017.b Department of Chemistry, Dr B R Ambedkar National Institute of Technology Jalandhar, Punjab, India-144011. [email protected]; [email protected];[email protected] Abstract: Nanomaterials are used in wide range of applications (cosmetics, photocatalysis, energy storage and sensors) due to their extraordinary physiochemical properties. Various forms of nanoparticles such as nanofilms, nanorods and polymer nanocomposite have been synthesized via physical and chemical processes. Use of waste materials for different application should be considered in view of environment concern. Recently, many efforts are being executed for preparation of nanoparticles from waste materials of biological and industries. Herein, various pre-treatment methods for waste are described along with the synthesis of nanoparticles from waste. In this direction, Co3O4 nanoparticles from the spent lithium batteries, carbon-dot from printer ink waste and nanochanneled ultrafine nanotube from polyethylene terephthalates were prepared. The derived nanoparticles were used for diverse application including environmental remediation.In addition, the remaining challenges and future perspectives are also highlighted. Keywords: Nanomaterials synthesis, use of waste,Energy storage. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-19 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Conventional Synthesis of Extruded ZSM-5 Along the Wet Impregnation of Zn Metal & Determination of Acidic/Basic Sites Using TBD (Temperature Programmed Desorption) Technique Mohd Kamran Khan Catalyst Division, Indian Institute of Petroleum, CSIR-IIP Dehradun, Uttarakhand, India Industrial Chemistry Division, Department of Chemistry, Aligarh Muslim University Aligarh, Uttar Pradesh, India [email protected] Abstract: ZSM-5(Zeolite Socony Mobil) is a crystalline alumino-silicate, it has a high Si to Al ratio. It used as a support material for catalysis. Zeolite have been widely used in industrial applications. They are widely used in the petroleum industry as a heterogeneous catalyst for hydrocarbon isomerization reactions. In principle zeolite are synthesized in the form of a powder with poor mechanical strength. Powdered ZSM-5 & binder(α-alumina), mixed and added glacial acetic acid (peptide agent). Mixed them very well and load into the extruder to get the shape. Left them to dry for 1 day so that the acetic acid left evaporated and last heated for 8 hours, then calcination performed to remove the liquid from the pores that helps in creation of pores/active sites. Wetimpregnation method is used to load Zn metal on extruded ZSM-5, by mixing the solution of ZnNo3, with sample. Zn is selected for loading because it prefers cyclisation and to favour the production of aromatic compounds. After several hours of such a wet contact the suspension is evaporated, and the compound is deposited randomly inside & outside the zeolite pores. Further heating and calcination is performed. TPD (temperature programmed desorption) of H-ZSM-5 is done under catalyst characteristics, TPD of H/ZSM-5 shows that it contains mainly high acidic sites ranging higher than 500°C. Prepared catalyst is used for the naptha reforming in HPMR (High Pressure Micro Reactor) to obtain BTX as product. Keywords: Alumino-silicate1, Heterogeneous2, peptide agent3, Isomerization4, Naptha reforming5 Note: Above work is performed/completed under summer training at CSIR-IIP Dehradun, while pursing MSc Industrial Chemistry at AMU Aligarh Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-20 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Electro oxidation of Methanol catalysed by Palladium-Nickel Nanoparticles embedded over synthetic clay/Nafion composite B. Muthukumaran* *Department of Chemistry, Faculty of Science, Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya (Deemed to be university), Enathur, Kanchipuram - 631 561, India. Abstract: The ‘aminopropyl terminated magnesium phyllosilicate’ clay-Nafion nanocomposite layers were prepared with embedded Palladium-Nickel nanoparticles (Pd-Ni/SC/N) to catalyze the Methanol oxidation reaction (MOR) for polymer electrolyte membrane fuel cells (PEMFC). As prepared nanocomposite films were subjected to surface and thermal characterization such as X- ray diffraction, Scanning electron microscopy, high-resolution transmission electron microscopy and thermo gravimetric analysis. Also the MOR activity of the Pd-Ni/SC/N nanocomposite film was investigated with cyclic voltammetry (CV). The current density of MOR on Pd-Ni supported on SC/Nafion composite was found to be 19.31mA/cm2. The calculated activation energy for MOR was found to be 27.74 kJ/mol. The calculated rate constant for the MOR was found to be 0.67 x 102 cm/s. The result proved that the activity and stability of Pd-Ni/SC/N catalyst towards MOR was significantly higher than that of Vulcan carbon supported Pd-Ni electrocatalyst under identical experimental conditions. Ultimately, practicable information has been gained to introduce the Pd-Ni anchored SC/Nafion nanocomposite layer to catalyze the MOR for PEMFC applications. Keywords: Synthetic Clay, Methanol Oxidation Reaction, Cyclic Voltammetry References: [1] B. Narayanamoorthy, K. K. R. Datta, M. Eswaramoorthy and S. Balaji “Improved oxygen reduction reaction catalyzed by pt/clay/Nafion nanocomposite for PEM fuel cells”, ACS Appl. Mat. Inter., Vol. 4, No. 7(2012), pp. 3620-3626. [2] R. S. Amin, R. A. Hameed, K. M. El-Khatib and M. E. Youssef “Electrocatalytic activity of nanostructured Ni and Pd-Ni on Vulcan XC-72R carbon black for methanol oxidation in alkaline medium”, Int. J. Hydrogen Energy, Vol. 39, (2014), pp. 2026-2041. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-21 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference MOF-derived flower-like CoSe2 nanoplates: A superior bifunctional electrocatalyst for both oxygen and hydrogen evolution reactions Nachiketa Sahu, Jiban K. Das, J.N. Behera* National Institute of Science Education and Research (NISER), Bhubaneswar Homi Bhabha National Institute (HBNI), Mumbai, India Abstract: It is quite a challenging task to synthesize a bifunctional electrocatalyst for catalyzing water splitting reaction involving the production of oxygen and hydrogen at anode and cathode respectively. In general, several progresses have been made in the field of transition metal-based selenides but the development of metal-organic framework (MOF)-derived nonprecious metal- based selenide nanostructures with various advantages demands additional effort. Herein, we have successfully synthesized a jasmine flower-like CoSe2 nanoplates derived from a Co-MOF precursor. The MOF-derived CoSe2 nanoarchitecture termed as MOF-D CoSe2 has various advantages over non-MOF-derived electrocatalysts. The flower-shaped CoSe2 nanoplates acts as a bifunctional electrocatalyst that needs an overpotential of 320 mV vs. RHE to deliver a current density of 10 mA cm-2 for oxygen evolution reaction (OER) with a small Tafel slope of 60 mV dec-1. Additionally, the MOF-D CoSe2 shows excellent performance for hydrogen evolution reaction (HER) which requires an overpotential of 195 mV vs. RHE to attain 10 mA cm-2 current density and small Tafel slope value of 43 mV dec-1. The significant stability of the electrocatalyst in both acidic as well as alkaline media indicates its practical applicability as an efficient bifunctional electrocatalyst for water splitting. The bifunctional electrocatalytic behaviour of the flower-like CoSe2 nanoplates can be attributed to the unique surface morphology, high value of electrochemical active surface area (ECSA) and excellent durability in both acidic as well as alkaline electrolytic conditions. Keywords: Co-MOF; MOF-D CoSe2; OER; HER; ECSA References: Nachiketa Sahu, Jiban K. Das, J.N. Behera. “Metal-organic framework (MOF) derived flower-shaped CoSe2 nanoplates as a superior bifunctional electrocatalyst for both oxygen and hydrogen evolution reactions.” Sustainable Energy & Fuels, 2021,5, 4992-5000. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-22 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Structural and luminescence studies on Dy3+ doped modifier dependent boro-tellurite glasses for white light generation P. Evangelin Teresa and K. Marimuthu* Department of Physics, Gandhigram Rural Institute-DU, Gandhigram-624302, India E-mail: [email protected], [email protected] Abstract: White light emission could be achieved by tri-doped system through downshifting or upconversion by mixing three primary colors namely red, green or blue. A series of different modifiers incorporated Dy3+ ions doped boro-tellurite glasses were synthesized via classic melt- quenching process. And their potentiality for photonic applications were analysed through some mandatory characterizations such as XRD, FTIR, optical absorption and photoluminescence measurements. The Density values of the polished glasses were determined by means of the standard Archimedes method and the refractive index of the glasses were measured out by utilizing Abbe’s refractometer. The absorption spectra exhibit eight diverse spectral peaks originating from the ground level 6H15/2 to several excited levels. The bonding nature between dopant ion and ligand field is analysed with the bonding parameters which detected the nature of the glasses. The Judd-Ofelt (JO) parameters follows the trend Ω2 >Ω4 >Ω6 for all the glasses. The measured spectroscopic quality factor (Ω4/ Ω6) describes the higher luminescence efficiency of the glasses. Among all the three transitions in the luminescence spectra, we can detect a strong yellow emission due to the increase in population density of the 6H13/2 level (4F9/2→6H13/2). Among various RE3+ ions, Dy3+ rare earth ion is distinguished due to its signature white emission. It is highly suitable for white light sources due to its two sharp-band emissions at ~547nm (yellow emission) and at ~481nm (blue emission). Moreover, it is employed as yellow laser medium and x-ray scintillator due to its strong yellow emission. Thus, the proposed glasses are promising candidates for white light applications as well as yellow laser medium and x-ray scintillator applications. Keywords: Glasses; Dysprosium; Judd-Ofelt parameter; Luminescence spectra; spectroscopic quality factor. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-23 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Enhancing performance of active pharmaceutical ingredients using polymer hybrid matrices Preety Yadav and Prakash Kanoo Department of Chemistry, Central University of Haryana, Mahendragarh, Haryana, India, [email protected]/[email protected] Abstract: The current scenario of drug development is witnessing an oncoming crisis due to the combined effects of decreasing number of new drug molecules being launched, increasing R&D costs, several blockbuster drugs falling off the patent cliff, and a high proportion of good drug candidates exhibiting poor aqueous solubility. Sustainable development of drug delivery materials with good biocompatibility and controlled release is a popular topic among researchers. An alternative formulation strategy for APIs that is currently being pursued takes advantage of the porous nature of metal− organic frameworks (MOFs) and the ease with which the porosity of these materials can be modified. MOFs can be used to load APIs which later on can be proved beneficial to enhance solubility of the APIs. They have attracted increasing research interest over the past decades and captured attention in the field of biomedical applications due to their post- synthetic modification, high drug loading capacity, and the ability to synthesize at the nanoscale size. Here we will report the encapsulation of Norfloxacin drug in NMIL-100(Fe) MOF and their release in simulated physiological environment. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-24 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Co MOF for Oxygen Evolution Reaction (OER) and Oxygen Reduction Reaction (ORR) Rajat K. Tripathy, J.N. Behera* National Institute of Science Education and Research (NISER), Bhubaneswar Homi Bhabha National Institute (HBNI), Mumbai, India Abstract: The scarce availability of traditional energy resources (fossil fuels) motivates the energy researchers throughout the globe to develop alternatives. Therefore, many of the energy conversion and storage systems (like fuel cell, batteries etc.) have developed and uses fuel like oxygen, hydrogen and small organic molecules like methanol, formic acid etc. Out of them, water splitting is a decisive strategy to produce both the hydrogen (HER) and oxygen (OER) efficiently. Therefore, stable and efficient electro catalysts necessary to replace high cost, low durability noble metal-based catalyst. So we report the synthesis of Co-MOF [Co4(BTC)3 (BIM)6] and explored it’s electrocatalytic behaviour towards OER and ORR. The Co-MOF catalyses the ORR efficiently with a lower onset/reduction potential and higher reduction current density by a four electrons reduction path. The more active sites and accessible surface area of the Co-MOF enable to perform well towards OER with lower onset potential and small Tafel slope compared to the commercial RuO2 nanoparticles. Additionally, it needs only 280 mV overpotential to deliver the state-of-the-art current density (10 mA/cm2) and robust stability. It presumes to use as both the cathode and anode electrocatalysts for the future energy storage and conversion systems. Figure 1. (a) 3D view of [Co4(BTC)3 (BIM)6] along c-axis, (b) FESEM images for the Co-MOF, (c) LSVs for OER by Co-MOF/AB, commercial RuO2, CoO (after TGA) and AB in 1 M KOH electrolyte at a sweep rate of 5 mV/s, (d) cyclic voltammogram for the ORR by the Co-MOF modified GCE in oxygen saturated 0.1 M KOH electrolyte. Keywords: Co-MOF; Bifunctional; OER; ECSA; ORR References: Rajat K. Tripathy, J.N. Behera. “A Cobalt Metal-organic framework (Co-MOF) a bifunctional electroactive material for the oxygen evolution and reduction reaction.” Dalton Transaction, 2019,48, 10557. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-25 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Hydrosilylation of Esters Catalyzed by Bisphosphine Manganese(I) Complex: Selective Transformation of Esters to Alcohols Rakesh R. Behera, Rahul Ghosh, Surajit Panda, Subrat Khamari, and Bidraha Bagh* School of Chemical Sciences, National Institute of Science Education and Research (NISER), HBNI,Bhubaneswar, Odisha 752050, India Email: [email protected] Abstract: Selective and efficient hydrosilylations of esters to alcohols by a well-defined manganese(I) complex with a commercially available bisphosphine ligand are described. These reactions are easy alternatives for stoichiometric hydride reduction or hydrogenation, and employing cheap, abundant, and nonprecious metal is attractive. The hydrosilylations were performed at 100°C under solvent-free conditions with low catalyst loading. A large variety of aromatic, aliphatic, and cyclic esters bearing different functional groups were selectively converted into the corresponding alcohols in good yields. Keywords: Hydrosilylation; Esters to alcohols; Bisphosphine Manganese(I) Complex; References: Behera, R.R., Ghosh, R., Panda, S., Khamari, S. and Bagh, B., “ Hydrosilylation of Esters Catalyzed by Bisphosphine Manganese (I) Complex: Selective Transformation of Esters to Alcohols.” Organic letters, 22, 9 (2020) 3642-3648. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-26 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Supercapacitive performance of bismuth sulfide nanoparticles synthesized by microwave irradiation method: A role of temperature S. Sasikala1, M. Balakrishnan1*, Jih-Hsing Chang2, K. Mohanraj2, 1PG & Research Department of Physics, Government Arts College, Tiruvannamalai 606603, Tamil Nadu, India. 2Department of Environmental Engineering and Management, Chaoyang University of Technology, Taichung 41349, Taiwan. Corresponding author mail ID: [email protected] Abstract: Bi2S3 nanoparticles have been synthesized, using bismuth nitrate as a precursor, thiourea as a sulfur source, and ethylene glycol as a solvent by microwave irradiation method. The effect of temperature on the morphology and crystallite size of the synthesized Bi2S3 nanoparticles has been analyzed. The structural analysis through XRD reveals the pure orthorhombic phase of both as-prepared bismuth sulfide (BS) and bismuth sulfide annealed at high temperature (BS-A) and calculated average crystallite sizes are 27 nm and 17 nm respectively. The bismuth sulfide nanoparticles (BS-A) annealed at high temperature shown better crystalline nature than the asprepared bismuth sulfide (BS) nanoparticles. The SEM micrographs of as-prepared bismuth sulfide (BS) shown the flower like structure, whereas bismuth sulfide (BS- A) displayed the spheroid shaped nanoparticles. The annealing process changed the morphological properties of bismuth sulfide nanoparticles. The EDS spectrum reveals the presence elemental composition of Bi and S respectively. The functional groups and formation of bismuth sulfide are confirmed by FT-IR spectrum. Both bismuth sulfide nanoparticles have been examined for supercapacitive performance through electrochemical characterization, such as a cyclic voltammetry and galvanometric charge-discharge techniques in presence of alkaline electrolyte. The synthesized nanomaterials confirmed the maximum specific capacitance values. This present work, reports the synthesis and characterization of bismuth sulfide nanomaterials (BS and BS-A) for supercapacitor applications. Keywords: bismuth sulfide; supercapacitor; nanoparticles; cyclic voltammetry Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-27 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Tuning the optical and antibacterial properties of ZnO nanoparticles through Sr doping for biomedical applications C.Selvaraju1 R.Karthick2 1Department of Physics, V.S.S. Govt. Arts College, Pulankurichi, Tamilnadu, India 2Department of Physics, PRIST University, Tiruchirappalli, India *Corresponding author: [email protected] Abstract: Applications of ZnO nanomaterials in optoelectronics are nonetheless restrained due to their inadequate photoluminescence efficiency. Soft chemical methods were used to make the ZnO nanostructures. All of the produced samples contain hexagonal wurtzite structure, according to X-ray diffraction examination. Photoluminescence and X-ray diffraction confirmed that the dopant ions replace some of the lattice zinc ions, and that Sr2+ and Sr3+ ions coexist. The new shape of strontium-doped ZnO was established by comparing the photoluminescence spectra of undoped and strontium-doped ZnO. The nanoparticles' average crystallite size ranged from 42 to 56 nm. The generated NPs are in the nanometer range, with forms visible in FESEM pictures. EDAX spectroscopy confirmed the presence of strontium (Sr) in the host lattice. Similarly, the ZnO:Sr nanoparticles showed increased antibacterial activity against one Gram-positive as well as one Gram-negative bacteria. Keywords: ZnO nanoparticles; photoluminescence; Alkali Earth metals; UV emission; Antibacterial activity. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-28 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference CQDs mediated heterojunction for enhanced photocatalytic degradation under visible light: A tandem double Z-scheme mechanism Sheetal Sharma Shoolini University, Solan Abstract: Seeking eco-friendly, highly effective and recyclable visible light active photocatalysts for evolving pollutants mineralization is imperative and considered necessary in wastewater purification. In present work, avant-grade dual Z-scheme CQDs-MnIn2S4/CdS/Bi2S3 heterojunction was prepared successfully by hydrothermal technique. The heterojunction showed flat fibre like morphology and surface of was not very smooth due to CQDs deposition on MIS/CdS/Bi2S3 surface. The fibrous texture of the heterojunction provided low density, excellent structural activity and large surface area for various photocatalytic reactions. Also it was observed that CQDs and CdS nanoparticles interlapped together in CQDs-MIS/CdS/Bi2S3. The hydrophilic functional groups on CQDs surface can be utilized as bridge, linking MIS, CdS and Bi2S3The average diameter of the nanoparticles were calculated by plotting histogram and gaussian distribution function Besides, improved visible light absorption and photogenerated charge transferal efficiency make CQDs-MnIn2S4/CdS/Bi2S3 achieve best catalytic activity towards methyl orange (MO) removal, where 99% MO could be mineralized within 80 min under light irradiation. Moreover, h+, •O2-and •OH were active species in degradation process. A series of photoelectrochemical studies verified low charge recombination rate and high charge transferal. This research indicates dual Z-scheme CQDs decorated MnIn2S4/CdS/Bi2S3 heterojunction will have wide potential in the wastewater remediation in the future. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-29 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Preparation of Co@ZrO2 nanostructured catalysts for the oxidation of Cyclohexane to Adipic acid using air as oxidant Sonu Bhandari1,2 and Rajaram Bal1,2 1 Light stock processing Division, CSIR-Indian Institute of Petroleum, Dehradun 248005, Uttarakhand, India. 2 Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India. Email: [email protected] Abstract: One of the most important aliphatic dicarboxylic acids in the chemical industry is adipic acid (AA), a monomer of the polymer Nylon 6,6 and one of the top 50 chemicals globally [1]. Despite its vast industrial importance, developing sustainable and selective catalysts for the oxidation of cyclohexane using air as an oxidant is challenging [2]. The current industrial process for the production of adipic acid is a three-step process. We demonstrate the facile synthesis of Co@ZrO2 nanostructured catalyst and its application for the single-step conversion of cyclohexane to adipic acid in this work. It is an efficient catalyst for the selective oxidation of cyclohexane. Characterization of Co@ZrO2 by XRD, TEM, XPS, BET, TPD, & TGA. Under mild environmentally friendly, solvent-free conditions and without any initiators. The catalyst showed a conversion of 40 % with a selectivity of 40% towards adipic acid. The recyclability and leach test proved the heterogeneous nature of catalyst as there is no significant loss of catalytic activity up to 5 cycles. Keywords: Adipic acid; Cyclohexane oxidation; Air; Solvent-free; Cobalt nanoparticles References: [1] J.C.J. Bart, S. Cavallaro, Transiting from Adipic acid to bioadipic acid. 1, petroleum-based processes, Industrial and Engineering Chemistry Research. 54 (2015) 1–46. [2] R. Raja, G. Sankar, J.M. Thomas, Journal of the American Chemical Society. 121 (1999) 11926– 11927. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-30 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Green biosynthesis of metal oxides nanoparticles: A review on present status Usha Yadav1, Keshu1-2, Manviri Rani2, Uma Shanker1, 1Department of Chemistry, Dr. B. R. Ambedkar Malaviya National Institute of Technology, Jalandhar, Punjab, India, [email protected] 2 Malaviya National Institute of Technology, Jaipur, Rajasthan, India, [email protected] Abstract: Green synthesis modifies environmental efficiency to reduce utilization of resources and energy to achieve sustainable development. Increased awareness of greener chemistry has necessitated using environmentally friendly methods for the production of nanomaterials. The use of plants and microorganism during synthesis of metal oxide nanoparticles is called greener synthesis due to involvement of non-toxic chemicals and environmentally friendly approach. Plants and microorganisms are the major source of biological substrate act as reducing as well as stabilizing agent in the synthesis of metal oxides nanoparticles. Green metal oxides are used in various industries such as cosmetics, drug delivery, biosensors and environmental remediation. Due to larger surface to volume ratio, smaller particle size, high thermal and chemical stability. In this review, a total sight of greener synthesis methods for producing metal oxide nanoparticles and their applications in various areas has been discussed. Keywords: Green synthesis, Nanomaterials, Metal oxides, Plant extract, Pollutants Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-31 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Structural & Optical Study of Undoped & Ni doped Bi2S3 Nanomaterial Using Microemulsion Method Vaishnavi Darji1, a), Prachi.H. Desai1, M. P. Deshpande1, Swati Pandya1, Vasant Sathe2 1, Department of Physics, Sardar Patel University, Vallabh Vidhyanagar, Anand-388120, Gujarat, India 2, UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore, 452017, India Corresponding Author: [email protected] Abstract: Bi2S3 (Bismuth Sulfide) is a metal chalcogenide semiconductor material of group V2- VI3 possessing application in biological, chemical, thermoelectric and optoelectronic field. Looking to this, we are reporting structural & optical properties of synthesized Bi2S3 nanomaterial & Nickel doped Bi2S3 prepared by Microemulsion method via controlling water loading ratio ω0 & proportion of each material using ternary phase diagram. We used characterization techniques in which EDAX data confirms the stoichiometry whereas X-Ray Diffractogram shows orthorhombic crystal structure of synthesized undoped & Ni-doped Bi2S3 nanomaterial. Room temperature and low temperature (80K-280K) Raman Spectroscopy shows peak shifting with temperature & Gruneisen parameter is found to be 3.32. In order to preliminary confirm the size of synthesized undoped & Ni-doped Bi2S3 nanomaterial we performed DLS experiment and found the size distribution below 100 nm. Keywords: Bi2S3; nanomaterial; microemulsion; Ni; low temperature Raman Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-32 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference A mini review: Smart materials for drug delivery Vasudha Vaid1, Rajeev Jindal1 1Department of chemistry, Dr. B.R Ambedkar National Institute of Technology, Jalandhar, G.T. Road, Amritsar Bye-Pass, Jalandhar (Punjab), India – 144011 Email: [email protected] Abstract: Environmentally sensitive hydrogels are frequently referred to as \"intelligent\" or \"smart\" hydrogels. Several research groups have been focusing on drug delivery systems based on these responsive hydrogels using biopolymers, intending to simulate the physiological process. Smart hydrogel systems with various chemically and structurally responsive moieties respond to external stimuli such as temperature, pH, ionic concentration, light, magnetic fields, electrical fields, and chemical and biological stimuli with selected triggers have also been developed elegantly combining two or more stimuli-responsive properties. By altering the gel structure in response to environmental stimulation, hydrogels have been widely utilized to control drug release. Hydrogels can prevent drugs from potentially harmful conditions, such as enzymes and low pH in the stomach. Smart polymeric material’s versatility and untapped potential allow them to achieve a variety of goals including fabricating new polymers with improved mechanical properties, tuning temperature and pH responsiveness of smart polymers for controlled drug delivery systems. Keywords: Stimuli-responsive hydrogel; control drug release; mechanical properties; biopolymers References: 1. V.Arti, A. Sharif . “Hydrogels: Smart Materials for Drug Delivery”. Oriental Journal of Chemistry, 29(3), (2013) 861–870. 2. S. M. Moghimi, A. J. Anderson, D. Ahmadvand, P. P. Wibroe, T. L. Andresen, A. C. Hunter. Smart Polymers in Drug Delivery: A Biological Perspective. Polymer Chemistry. (2011) Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-33 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Recent Trends and Technologies in Corrosion Management of Marine Vessels Gaurav Tehlan Department of Ship Technology, Cochin University of Science and Technology, Kochi, Kerala, India,[email protected] Abstract: Corrosion on ships represents a major life cycle cost component considering the requirement of mitigating the onset of corrosion through extensive maintenance and scheduled repair periods leading to considerable downtime of the platforms. Recognising this important aspect various steps have been taken over a period of time and as an ongoing process to combat corrosion to improve ships’ reliability, availability, life and reduce maintenance costs. There are various advanced technologies that are available worldwide and can be adopted by the Indian Industry to carry out corrosion management, especially corrosion detection and corrosion mitigation. The technologies discussed in the paper are well established and are being utilized worldwide. Today ships are getting highly affected by the corrosion and affecting its operational availabilities to a great extent. The large amount of hull renewal is also not economical considering the economic factors as well. A balanced combination of education, training, experience, and instructions would be a useful tool for any project corrosion engineer when faced with corrosion problems. Asset-based data and information, when they are kept and presented in an adequate and orderly manner, could also significantly enhance an engineer’s performance and efficiency. This paper aims to bring out a brief on corrosion, various forms of corrosion experienced onboard ships, current corrosion management techniques in force and the effective corrosion management strategies that can be employed in future for the best preventive measures. References: [1.] Handbook of Corrosion Engineering by Pierre R Roberge, Pg 332. [2.] Prediction of Atmospheric Corrosion –A Review by A.A.M.T. Adikari, R.G.N. De S. Munasinghe and S. Jayatileke Pg 5. [3.] Corrosion Management for Effective Mitigation of Corrosion in Ships – Overview, paper by A. Mathiazhagan Cochin University of Science and Technology, Kochi-682022, Kerala, India, Pg 1. [4.] Corrosion Management for effective mitigation of corrosion in Ships – Overview,paper by A. Mathiazhagan Cochin University of Science and Technology, Kochi-682022, Kerala, India, Pg 4. [5.] “The Effects and Economic Impact of Corrosion” 2000 ASM International. Corrosion: Understanding the Basics (#6691G) [6.] “Environmental Factor Affecting Corrosion of Pipeline Steel – A Review” International Journal of Mechanical and Production Engineering Research and Development, ISSN(P): 2249- 6890;ISSN(E): 2249-8001 Vol 5, Issue 5, Oct 2015 [7.] Research paper on ‘Microbiological Influenced Corrosion in Maritime Vessels’ by S.A Swade, PL Mart, A.R Trueman [8.] Little BJ, Lee JS, Microbiologically Influenced Corrosion, John Wiley and Sons Inc, Hoboken, New Jersey, USA, 2007 [9.] J. Parente, J. C. Daidola, N. S. Basar, and R. C. Rodi, 1994 “Commercial ship design and fabrication for corrosion control,” Report no. 5087.ION-I, New York. [10.] Henry R. Bleile, Stephen D. Rodgers, “Shipboard Corrosion Engineering”, Report by Corrosion Control Branch of Naval Sea Systems Command of US Navy. [11.] Philip A Schweitzer, “Fundamentals of Corrosion: Mechanisms, Causes and Preventative Methods”, CRC Press, Taylor & Francis Group, 2010. [12.] O'Toole G, Kaplan HB, Kolter R, “Biofilm formation as microbial development”, Annu Rev Microbiol, Vol-54, pp 49–79, 2000. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-34 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Design of MIL based catalysts for CO2 methanation via conventional routes Ankit Asawa and Satyapaul A. Singh Department of Chemical Engineering Birla Institute of Technology and Science (BITS) Pilani, Hyderabad Campus, Jawahar Nagar, Kapra Mandal, Hyderabad, 500078, India Abstract: Increasing CO2 concentration in the atmosphere is an alarming cause of global warming and is dragging attention of a lot of research groups today. The CO2 neutral approach, to take control of this situation is to convert CO2 into useful value-added fuels, Methanation for example. Given the high stability, conversion of CO2 into any other form requires high amount of energy. MIL (MIL ⇒ Matériaux de l′Institut Lavoisier) based catalysts are a class of Metal organic frameworks (MOFs) which consists of inorganic chains [M-OH] connected to four neighbouring inorganic chains by therepthalate-based linker molecules. Synthesis of MIL materials is done by solvothermal, hydrothermal and electrochemical methods. Resulting framework structure contains one-dimensional diamond-shaped pores. MIL materials are known to have exceptionally high surface area due to which their application in catalysis and adsorption is promising. The catalysts thus prepared are characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and BET surface analysis to understand physical, structural properties and surface morphology. Modifications in the material with combinations of different proposition of active metals like Al, Mn, Co, Ni etc will be synthesized and characterized to optimize the catalytic activity of MIL materials. Keywords: Global warming CO2 neutral approach, Metal organic framework, Solvothermal synthesis, hydrothermal method, CO2 methanation, Diamond-shaped pores. References: [1] Christopher W. Ashling, Duncan N. Johnstone, Remo N. Widmer, Jingwei Hou, Sean M. Collins, Adam F. Sapnik, Alice M. Bumstead, Paul A. Midgley, Philip A. Chater, David A. Keen, and Thomas D. Bennett Journal of the American Chemical Society 2019 141 (39), 15641-15648 DOI: 10.1021/jacs.9b07557 [2] Sun, Q., Liu, M., Li, K., Han, Y., Zuo, Y., Chai, F., Song, C., Zhang, G., & Guo, X. (2017). Synthesis of Fe/M (M = Mn, Co, Ni) bimetallic metal organic frameworks and their catalytic activity for phenol degradation under mild conditions. Inorganic Chemistry Frontiers, 4(1), 144–153. https://doi.org/10.1039/c6qi00441e [3] Meshram, A. A., & Sontakke, S. M. (2021). Synthesis of highly stable nanoscale MIL-53 MOF and its application for the treatment of complex mixed dye solutions and real-time dye industry effluent. Separation and Purification Technology, 274, 119073. https://doi.org/10.1016/j.seppur.2021.119073 [4] Meshram, A. A., & Sontakke, S. M. (2021a). Rapid degradation of metamitron and highly complex mixture of pollutants using MIL-53(Al) integrated combustion synthesized TiO2. Advanced Powder Technology, 32(8), 3125–3135. https://doi.org/10.1016/j.apt.2021.07.003 [5] Gao, J., Wang, Y., Ping, Y., Hu, D., Xu, G., Gu, F., & Su, F. (2012). A thermodynamic analysis of methanation reactions of carbon oxides to produce synthetic natural gas. RSC Advances, 2(6), 2358. https://doi.org/10.1039/c2ra00632d Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-35 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Heat Treatment of Catalyst Aniket & Abhuday Singh Rao Department of Mechanical Engineering, Govt. Engineering College Ajmer, [email protected] Abstract: Study in this paragraph would consist or briefly denotes the various incorporated works carried out by researcher in the domain of heat-treatment metallic and non-noble catalyst. The heat-treatment can encapsulate changes in catalyst properties such as particle size & growth, morphology, dispersion of the metal on the support, alloying degree percentage, active site development, catalytic actions, and catalytic statistics. The sophisticated and sufficient heat- treatment temperature and time duration are majorly influenced by individual catalyst. With respect to Pt-based catalysts, heat treatment can induce particle-size growth, better alloying degree percentage, and variation in the catalyst surface properties or morphology from amorphous(Non-Crystalline) to more ordered states, all of this having a substantial effect on O2 degradation reaction (ORR) activity and stability. However, heat treatment of the catalyst carbon supports can also significantly affect the ORR catalytic activity of the supported catalyst. Regarding non-noble catalysts, in particular transition metal macrocycles, The study and development of line homogeneous catalysts based on first line metals (Mn, Fe, Co, Ni, and Cu) has grown tremendously due to the economic and environmental advantages that non-noble metals present. Base composition metals offer declined cost, greater supply, and lower toxicity ratio than noble metals. enabling more opportunity for scientific investigation and incremental development of practical applications. Non-Noble Metal Catalysis provides an informative survey of the field, from classical concepts and computational methods to industrial applications and reaction classes. In fact, heat treatment is a necessary step for introducing more active catalytic sites. For metal chalcogenide catalysts, it seems that heat treatment may not be necessary for catalytic activity and stability improvement. More research is necessary to improve our fundamental understanding and to develop a new strategy that includes innovative heat-treatment processes for enhancing fuel cell catalyst activity and stability. Keywords: Heat Treatment; ORR(Oxygen Reduction Reaction); Morphology ; chalcogenide catalysts; Platinum Based Catalyst. References: Cicero Beazer, Lei Zhan an, A review of heat-treatment effects on activity and stability of PEM fuel cell catalysts for oxygen reduction reaction, Journal of Power Sources 173(2):891-908, 2007. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-36 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference EFFECT OF CRYSTAL SIZE ON THE PHOTOCATALYTIC PROCESS OF GREEN SYNTHESIZED CuO NANOPARTICLES B.Arunkumara*, M Jothibasb, S.Johnson Jeyakumarb [email protected], [email protected], [email protected] aDepartment of Physics, Sir Issac Newton college of Arts & Science,Nagapattinam-611102, India. bPG & Research Department of Physics, TBML College, Porayar - 609307, Tamilnadu, India. Abstract: This extant work, sol-gel experiment effect of green synthesized CuO nanoparticles using Lantana Camara (LC) and Wrightia Tinctoria (WT) leaf extracts for optical and Photocatalytic analysis. LC and WT leaf extracts via Sol-gel method exihibit the enhanced optical and Photocatalytic activities. Characterization of XRD analysis shows that leaf extract capped CuO nanoparticles coordinated with CuO structure and Phase lattice. The particles are very much scattered circular, going with practically all around characterized and uniform crystalline structure observed in SEM image. The Photoluminescence analysis exhibit the amplified green emissions, caused by the plant extract (LC & WT) ions incorporated with Cu ions to developed the CuO nanoparticle for optical properties. The sun light irradiation using plant extract capped CuO Nanoparticles exhibited enriched degradation process for potential application in photocatalytic properties. Key words: Lantana camara leaf. Wrightia tinctoria leaf. Green synthesis Nanoparticles. Optical and Photocatalytic activity Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-37 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Ruthenium(III) catalyzed oxidation of Polyethylene Glycols by DCICA K.V.S.Koteswara Rao†, R. Venkata Nadh* †Department of Chemistry, GVSM Government Degree College, Ulavapadu-523292 * GITAM University-Bengaluru Campus, Bengaluru, Karnataka-562163, email: [email protected]; Mobile: +91-9902632733 Abstract: Ru (III) catalysed oxidation of polyethylene glycols (PEGs) by DCICA was studied in aqueous acetic acid - perchloric acid medium and found to follow free radical pathway. The nature of oxidant species was learnt from the effect of acid. Effect of molecular weight was studied and related with the Flory’s theory of equal reactivity. A plausible rate law was proposed to explain unit order in [oxidant] and [Ru(III)], Zero order in [substrate] and inverse fractional order in [H+]. Keywords: Ruthenium (III) catalysis; PEG; Dichloro isocyanuric acid; Kinetics References: 1. Kumar, Y.L., Nadh, R.V. and Radhakrishnamurti, P.S., Role of added chloride ions in alteration of reaction pathway in the oxidation of cyclic ketones by dichloroisocyanuric acid – A kinetic study. Russian Journal of Physical Chemistry A, 89(3) (2015) pp.376- 383. 2. Nam, S., Parikh, D.V., Condon, B.D., Zhao, Q. and Yoshioka-Tarver, M., Importance of poly (ethylene glycol) conformation for the synthesis of silver nanoparticles in aqueous solution. Journal of Nanoparticle Research, 13(9) (2011) pp.3755-3764. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-38 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference DAP-Derived Gel Formulations for Topical and Transdermal Drug Delivery Applications Eqvinshi Yadav and Manoj K. Gupta* Department of Chemistry, School of Basic Sciences, Central University of Haryana, Mahendergarh, Haryana, India, [email protected]/[email protected] Abstract: A variety of gel formulations for topical and transdermal applications of NSAIDs (non-steroidal anti-inflammatory drugs) and antimicrobial drugs with enhanced properties were designed and prepared using 2,6-diaminopyridine (DAP). These low molecular weight fatty acid amide gelators have the ability to form stable selfassembled aggregates in edible oils, organic solvents and in organic solvents-water mixture resulting oleogels, organogels and bigels, respectively. The prepared gels have good encapsulation capability of drug molecules and act as novel carriers for topical and transdermal delivery in a controlled manner. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-39 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference NiO@PANI nanocomposites as Photocatalytic and Anticorrosive agent: Experimental and theoretical approach Harish Kumara,*, and Manisha Luthrab aDept. of Chem., Central University Haryana, Mahendergarh-123 031 bDept. of Chem., Ch. Devi Lal University, Sirsa (Haryana) -125 055 *Author for correspondence: [email protected] Abstract: The nickel oxide nanoparticles (NPs) and conducting polymer, polyaniline (PANI) were synthesized by reverse micelle and chemical oxidative techniques. XRD, TEM, UV- visible, and FTIR techniques were used for the characterization. The theoretical (DFT) technique was used to support experimental data. The NCs were tested as an anticorrosive, and photocatalytic agent. The NCs shows 83% inhibition efficiency at 1000 ppm concentration. The photocatalytic degradation of organic dye was studied under UV light. The NCs degrades 87% of dye. The NiO/PANI NCs shows a good anticorrosive, and photocatalytic property and can be used as acid corrosion inhibitor, and purification of impure water by photodegradation technique. Keywords: Nickel oxide nanoparticles, Polyaniline (PANI), Anticorrosive agent, Photocatalytic, Nanocomposites. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-40 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference A Biogenic Fabrication of Ag2CrO4/TiO2/Au/r-GO Hybrid Biofilm for Visible Light Guided Photocatalytic Performance Harjinder Singh* *Department of Chemistry, Central University of Punjab, 151001-Bathinda, Punjab, India, [email protected] Abstract: The development of cost-efficient transition metal based catalyst provides us an attractive approach for heterogeneous visible light photocatalysis. Here, we present a bioassisted photocatalyst synthesized by elongated rhombic shape silver chromate (Ag2CrO4) encapsulated by titanium dioxide (TiO2) with gold (Au) and reduced graphene oxide (r- GO) for dye degradation applications under visible light. An eco-friendly method was employed to prepare the quaternary Ag2CrO4/TiO2/Au/r-GO nanostructures biofilm with gold and reduced graphene oxide (r-GO) by the use of impregnation process and in situ reduction technique in the presence of acacia gum. The structure and morphology of Ag2CrO4/TiO2/Au/r-GO nanostructures characterised by XRD, ATR-FTIR, Raman spectroscopy, FE-SEM, XPS etc. An outstanding photocatalytic performance displayed by Ag2CrO4/TiO2/Au/r-GO nanostructures biofilm on conducting examination with different inner structures. It has been observed that MB degraded about 97% within 52 min on photocatalysis, and also it has been concluded that the degradation rate of MB increased by a factor of 10.8, 6.5, and 3.1 for the Ag2CrO4/TiO2/Au/r-GO hybrid biofilm as compared to individual Ag2CrO4, Ag2CrO4/TiO2, and Ag2CrO4/TiO2/Au biofilms, respectively. Hence, the fabrication of Ag2CrO4/TiO2/Au/rGO hybrid biofilm using acacia gum offers a biogenic, green and sustainable approach for the enhanced photocatalytic activity. Keywords: Photocatalysis; bio-assisted; impregnation; biofilm; degradation. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-41 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Green synthesis of sunlight responsive nickel oxide doped hexacyanocobaltate nanostructures for efficient photo degradation of pesticides Jyoti Yadav, Manviri Rani1* [email protected], [email protected] 1Department of Chemistry, Malaviya National Institute of Technology, Jaipur Rajasthan, India- 302017 Abstract: Chromium (VI) is superior pollutant and suspected carcinogen with high persistence while Cr (III) is being used as micronutrient. Therefore, photocatalytic reduction of Cr (VI) by advanced method based on low-cost and highly proficient coupled-nanomaterials is highly desired. Herein, nickel oxide-decorated zinc hexacyanocobaltate framework (NiO@ZnHCC) was synthesized employing Sapindus mukorossi seed extract as green surfactant and water. Highly crystalline nanocomposite with particle size ~100 nm consisting NiO wrapped ZnHCC cubes piled together was confirmed by spectroscopic and microscopic analysis. Subsequently, nanocomposite was utilized as photocatalyst for the reduction of Cr (VI) from simulated water under direct Sunlight. At optimum catalytic dose (15 mg) and neutral pH, sharp decline in 50 mg L-1 of Cr (VI) to Cr (III) was visually confirmed by colour change from orange to green. Highest removal of Cr (VI) (92%) by NiO@ZnHCC nanocomposite (Langmuir Xm= 39 mg g-1) indicated its superior activity over bared ones (NiO: 79% and ZnHCC: 86%). The fact is attributed to improved surface area (78.9 m2g- 1) and semiconducting natures resulted from synergism of NiO (32.4 m2g-1; 3.6 eV) and ZnHCC (38.9 m2g-1; 2.3eV). Moreover, doped NiO@ZnHCC reduced the first order half- lifeof Cr(VI) up to 1.1 h than that with bared ZnHCC (2.3h) and NiO (3h). Photo-catalysis, pathway was probed using radical-scavenger and understanding steps concerned in reduction process. High surface activity, reusable up to ten-cycles, stability and greater charge separation led to furtherance of huge number of electrons, NiO@ZnHCC might be used as an efficientphotocatalyst for industrial applications with bright future. Keywords: NiO@ZnHCC nanocomposite, green synthesis, Chromium Removal, Photocatalysis Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-42 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Bio-catalysis in Organic synthesis By Dr. Krishnaji Tadiparthi Abstract: Enzymes are evolved by Nature to catalyze in vivo biochemical reactions. These biocatalysts have a great potential to complement many useful unnatural chemical reactions. However enzymes often need to be engineered to achieve high stability, selectivity and catalytic efficiency to make them suitable for practical application. We are interested for the identification of suitable enzymes for the synthesis of fine chemicals, stereo selective products, chiral pharmaceutical intermediates, in the application of biofuel, bioenergy, detoxification of toxic organic compounds and other industrial applications. The areas of research work Bio-catalysis is one of the new emerging world class area and there is a lot of scope to develop in this area especially in the below transformations for the preparation of optically active molecules. • Kinetic resolution of racemates - hydrolysis and reverse hydrolysis • Desymmetrisation of pro chiral and meso compounds - mainly hydrolysis • Asymmetric reduction of carbonyls, alkenes and imines • Asymmetric oxidation (epoxidation, dihydroxylation, sulfoxidation, Baeyer Villiger) • Asymmetric C-C bond formation (Aldol, cyanohydrin formation) • Dynamic Kinetic Resolution • Cascade reactions From the literature it is clear states that, few of the transformations are well established and some of them are expanding. There is a lot of scope to develop especially in the areas of C-C bond formation using different new enzymes. Indeed, we are emphasize to discuss all the new transformations for the synthesis of various natural products in which bio catalytic transformation is a key step. References: 1. Industrial Biotransformations, A. Liese, K. Seelbach, C. Wandrey, Wiley-VCH Verlag GmbH, Weinheim, 2000. 2. Asymmetric Catalysis on Industrial Scale, Challenges, Approaches and Solutions, Eds H. U. Blaser & E. Schimdt, Wiley-VCH Verlag GmbH, Weinheim, 2004. 3. Biocatalysis, Fundamentals and Applications, A.S. Bommarius & B.R. Riebel, Wiley-VCH Verlag GmbH, Weinheim 2004. 4. Biotransformations in Organic Chemistry: A Textbook (5th Ed.), K. Faber, Springer- Verlag Berlin and Heidelberg GmbH & Co. K 2004. 5. Hydrolases in Organic Synthesis, Regio or Stereoselective Biotransformations, U.T. Bornscheuer, R. J. Kazlauslas, Wiley-VCH Verlag GmbH 1999. 6. Biocatalysis in the Pharmaceutical and Biotechnology Industries, R. N Patel, CRC Press, 2007. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-43 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference GOLD CATALYZED ETHYNYLBENZIODOXOL(ON)ES (EBX) AIDED CROSS- COUPLING REACTIONS Manankar Koley [email protected] University College of Science, Technology and Agriculture, University of Calcutta Abstract: Cross-Coupling reactions are one of the most powerful tools for Organic Chemists which can be used efficiently for construction of new valuable molecules. For this, transition metal catalyzed protocols have always been employed in great extent. In the past decade gold catalyzed reactions have emerged as a fascinating option for various Organic transformations due to the unique characteristic of gold. EBX, first reported in the year of 1991, also found unique place in the field of gold chemistry for their dual role to act as an oxidant as well as an alkyne surrogate to get access of new alkynylated moieties. Gold and EBX together work pretty well and a lot of new reactivity patterns have been discovered using this paradigm. This report focusses on the use of EBX in several gold catalyzed cross-coupling reactions and their fruitful relationship reported in recent times. Moreover, it will also give mechanistic insights of the reactions. Keywords: Gold Catalysis, EBX, Cross-Coupling, Sacrificial Oxidants Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-44 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Electronic structure and geometrical facets towards reactivity of transition metal based five-coordinated porphyrin N-Heterocyclic carbene complexes: a DFT study Manjeet Kumar1 and Azaj Ansari1 1 Department of Chemistry, Central University of Haryana, Mahendergarh, Haryana, India–123031 (Email Id: [email protected]; [email protected]) Abstract: Dye-sensitized solar cells (DSSCs) are the growing potential area for harnessing the solar energy to meet the growing clean and sustainable energy requirements.1-2 In DSSCs, the porphyrin dyes have received prevalent recognition due to their easy structure modulations, significant spectral bandwidth (400-700nm) and exceptional redox properties.3 Currently, rare-earth metal based complexes are mostly used as photosensitizers in solar light harvesting technologies but due to their exhausted synthesis procedures as well as the toxicity and scarcity of such metals, alternative innovations are urgently required.4 From last decade, 3d transition metal based sensitizers are explored in good pace and found with good efficiency and stability towards energy conversion systems.5 The closed electronic shells and large HOMO-LUMO gaps are more responsible for enhanced stability and reduced reactivity of any molecular system.6-8 In this presentation, we will describe a deep insight of electronic structures, geometric skeleton and reactivity of manganese and cobalt based metalloporphyrins incorporation with NHC species by energetics and spectrometric measurements using DFT and TDDFT simulations. We will also attempts to explain the controversial bonding pattern of carbonNHC and metal in such type of metal mediated dyes. Keywords: B3LYP; NBO; MEP; FMO; EDA References: 1. M. Mrinalini, N. Islavath, S. Prasanthkumar and L. Giribabu, “Stipulating Low Production Cost Solar Cells All Set to Retail…!”, Chemical Record, 19, (2019), 661-674. 2. K. Zeng, Z. Tong, L. Ma, W.-H. Zhu, W. Wu and Y. Xie, “Molecular engineering strategies for fabricating efficient porphyrin-based dye-sensitized solar cells”, Energy & Environmental Science, 13, (2020), 1617- 1657. 3. H. Song, Q. Liu and Y. Xie, “Porphyrin-sensitized solar cells: systematic molecular optimization, coadsorption and cosensitization”, Chemical Communications, 54, (2018), 1811-1824. Mn(18.93%) – C(81.07%) sp 1.38 d 1.86 (Mn) – sp 1.36(C) 4. S. Aghazada and M. K. Nazeeruddin, “Ruthenium Complexes as Sensitizers in Dye-Sensitized Solar Cells”, Inorganics, 6, (2018), 52(1-34). 5. M. Mathew, A. Yella, P. Gao, R. Humphry-Baker, B. F. E. Curchod, N. Ashari-Astani, I. Tavernelli, U. Rothlisberger, M. K. Nazeeruddin and M. Grätzel, “Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers”, Nature Chemistry, 6, (2014), 242- 247. 6. M. N. Ahamad, M. Kumar, A. Ansari, I. Mantasha, M. Ahmad and M. Shahid, “Synthesis, characterization, theoretical studies and catecholase like activities of [MO6] type complexes”, New Journal of Chemistry, 43, (2019),14074-14083. 7. I. Mantasha, M. Shahid, M. Kumar, A. Ansari, M. N. Akhtar, M. A. AlDamen, Y. Song, M. Ahmad and I. M. Khan, “Exploring solvent dependent catecholase activity in transition metal complexes: An experimental and theoretical approach”, New Journal of Chemistry, 44, (2020), 1371-1388. 8. M. N. Ahamad, K. Iman, M. K. Raza, M. Kumar, A. Ansari, M. Ahmad and M. Shahid, “Anticancer properties, apoptosis and catecholase mimic activities of dinuclear cobalt(II) and copper(II) Schiff base complexes”, Bioorganic Chemistry, 95, (2020), 103561. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-45 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference C-H bond activation by metal superoxo species: A DFT exploration Monika and Azaj Ansari* Department of Chemistry, Central University of Haryana, Mahendergarh, Haryana, India Email: [email protected]/[email protected] Abstract: Dioxygen interacts with metalloenzyme to form reactive intermediates such as heme/nonheme high-valent metal-oxo, hydroxo, superoxo and hydroperoxo species.1-2 These species are key intermediates in many important biological processes such as photosystem-II, peroxidases, catalases, bleomycin, and naphthalene dioxygenase, also invoked in the oxidation of various organic substrates by metalloenzymes.3-4 Metal superoxo species exhibit a wide range of catalytic reactions5-11 such as C-H/N-H and O- H bond activations. Recently, Metal superoxo species have attracted much more attention because of their wide applications in C-H bond activation of substrates by non-heme iron and chromium species5-7 and oxygen atom transfer reaction. Here, we will report effect of metal ion, ring size of TMC ligands towards stability, electronic structurse, and C-H activation by superoxo species. Reference 1. Makhlynets, O. V.; Das, P.; Taktak, S.; Flook, M.; Mas-Balleste, R.; Rybak-Akimova, E. V.; Que, L., Jr. Chem.-Eur. J. 2009, 15, 13171. 2. Sastri, C. V.; Lee, J.; Oh, K.; Lee, Y. J.; Lee, J.; Jackson, T. A.; Ray, K.; Hirao, H.; Shin, W.; Halfen, J. A.; Kim, J.; Que L., Jr.; Shaik, S.; Nam, W. Proc. Natl. Acad. Sci. U. S. A., 2007, 104, 19181. 3. Nam, W. Acc. Chem. Res. 2007, 40, 465. 4. Ansari, A.; Rajaraman, G. J. Am. Chem. Soc. 2013, 135, 4235. 5. Ansari, A.; Jayapal, P.; Rajaraman G.; Angew. Chem. Int. Ed., 2015, 127, 564. 6. Monika; Ansari, A.; New J. Chem., 2020, 44, 19103. 7. Monika; Yadav, O.; Chauhan, H.; Ansari, A. Struct. Chem. 2021, 32, 1473. 8. Iman, K.; Ahamad M.N.; Monika; Ansari, A., Saleh, A .M. H.; Khan, M.S.; Ahmad, M.; Haque, A.R.; Shahid, M. RSC Adv., 2021, 11, 16881. 9. Iman, K.; Raza Md , K.; Ansari, M.; Monika; Ansari, A.; Ahmad, M.; 10. Iman, K.; Raza Md , K.; Ansari, M.; Monika; Ansari, A.; Ahmad, M.; Ahamad , M. N.; Qasem, M.A.K.; Hussain, S.; Akhtar M.N.; Shahid, M. Dalton Transactions, 2021, 50, 11941. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-46 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Electro chemical synthesis of oxides of Fe-Co for electro chemical sensing application M. Murugan, Dr. M. Kanagasabapathy Department of Chemistry, Rajapalayam Rajus’ College, Rajapalayam Abstract: Hydroxides and Oxides of cobalt and iron are having noteworthy technological applications such as in supercapacitors, battery electrodes water splitting (Hydrogen / oxygen generation) catalysts, pharmaceutical and biochemical sensing devices. These materials can be fabricated by electrodeposition method. Electrodeposition is viable reproducible and relatively lucrative with better process control over the formed films but limited literature is available, based on the electrochemical deposition and electrochemical sensing is binary metal oxides and oxy hydroxides. The solids are characterized by XRD, FTIR, SEM and energy dispersive X-ray spectroscopy analysis using secondary electrons. The SEM images show formation of the Nano iron cobalt oxides micro structure average width less than 50 Nano meter. Mathematical and computation modelling should be carried out to estimate the primary, secondary current distribution, deposit composition and crystal lattice geometry elucidation. By using either individual or binary metal oxides/oxy hydroxides, electrochemical detection of few selective and simple bio-active pharmaceutical organic compounds such as diclofenac, methyl salicylate, phenacetin, quinhydrone, acetaminophen, salicylaldehyde derivatives etc., are planned. Keywords: Electro chemical sensing, Oxy hydroxide, Galvanostatic electro deposition, Fe- Co composites Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-47 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Exclusive electro-chemical response of titanium-doped cross-linked Biopolymer towards antimicrobial activities K. S. Poorna Vaishnavi1, K. Karthik Kumar2, G. N. Kousalya3 1Department of Chemistry, Shri Sakthikailassh Women’s College, Salem – 636001, Tamil Nadu, India. (Affiliated to Periyar University, India) 2,3PG and Research Department of Chemistry, G.T.N. Arts College, Dindigul - 624005, Tamil Nadu, India. (Affiliated to Madurai Kamaraj University, India) Author Email – [email protected] Abstract: The electrodeposition method was used to synthesize titanium coated bio nanocomposite made from chitosan cross-linked with sebacic acid. Corrosion inhibition coat formation was studied on titanium plates. Scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX), and Fourier transform infrared spectroscopy (FTIR) were used to examine the texture and distribution of bio nanocomposites. In order to engage, corrosion action of Hank's solution has been examined using techniques such as cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and Tafel polarisation. The antibacterial efficacy of the bio nanocomposite against staphylococcus aureus has been tested. Such a high biocompatibility formulation is used for medical applications for non- toxic and better titanium adsorption results. Key Words: Chitosan, Sebacic acid; Titanium, Electrochemical impedance spectroscopy; Tafel polarization; Staphylococcus aureas. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-48 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference STUDY OF MgO NANOPARTICLES SYNTHESIZED BY REVERSE MICELLES METHOD Prachi H. Desai1*, Nidhishree M. Suchak, Vaishnavi J. Darji1, M. P. Deshpande1, Swati J. Pandya1, S.H. Chaki1,2 1P. G. Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388120, Gujarat, India 2Indukaka Ipcowala Centre for Interdisciplinary Studies in Science and Technology (IICISST), Sardar Patel University, Near Bus Stand, Vallabh Vidyanagar 388 120, Gujarat, India *E-mail: [email protected] Abstract: Magnesium Oxide (MgO) nanoparticles were synthesized by the reverse micelles (RM) method. EDAX spectra show no impurity content in synthesized material, followed by X-ray spectroscopy to study the structure of the synthesized sample, which matched with the facecentered cubic structure having an average crystallite size of 13 nm. Dynamic light scattering (DLS) study shows that the synthesized nanoparticles' size lies below 100 nm. Absorption spectroscopy was carried out to study the optical property of the material, i.e., bandgap. Keywords: reverse micelles, DLS Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-49 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Transition Metal Complexes of Abnormal N-heterocyclic Carbenes and their Applications: An Overview Shruti S. Garge and Dr. Sriparna Ray* Department of Chemistry, School of Basic Sciences, Faculty of Science, Manipal University Jaipur, Dehmi Kalan, Jaipur – 303007, Rajasthan, India. Abstract: The function of N-heterocyclic carbene (NHC) ligands as ancillary ligands in various metal complexes is quite well known. These transition metal complexes can be utilized in catalysis as well as in different biological applications. The abnormal-NHCs, due to their different binding modes, can be utilized fine-tune the catalytic properties of the metal complexes. Hence, various research groups are exploiting the different steric and electronic properties of the abnormal Nheterocyclic carbenes from their usual counterparts and using them in catalyzing various organic transformations. Some of the reactions, which were successfully facilitated, are Suzuki-Miyaura cross-coupling, hydrosilylation of aldimines, reduction of nitroarenes to the corresponding amines, Click chemistry between olefins and azides and hydrogenation of alkenes or the transfer hydrogenation of ketones to their corresponding alcoholic functional groups. Herein, a brief overview of the synthesis of the different transition metal complexes of abnormal N- heterocyclic carbenes and their catalytic utility will be discussed. Keywords: Abnormal N-heterocyclic carbene ligands, Homogeneous catalysis, transition metal NHC complexes, carbon-carbon cross coupling, hydrosilylation reaction, Click chemistry. *Corresponding Author: Dr. Sriparna Ray Email: [email protected] Presenter: Ms. Shruti S. Garge References: 1. A. J. Arduengo, H. V. Rasika Dias, R. L. Harlow and M. Kline, J. Am. Chem. Soc., 1992, 114, 5530–5534. 2. M. Heckenroth, E. Kluser, A. Neels and M. Albrecht, Angew. Chem., Int. Ed., 2007, 46, 6293–6296. 3. H. Lebel, M. K. Janes, A. B. Charette and S. P. Nolan, J. Am. Chem. Soc., 2004, 126, 5046–5047. 4. S. C. Sau, S. Santra, T. K. Sen, S. K. Mandal and D. Koley, Chem. Commun., 2012, 48, 555–557. 5. M. Bhunia, P. K. Hota, G. Vijaykumar, D. Adhikari and S. K. Mandal, Organometallics, 2016, 35, 2930–2937. 6. G. Vijaykumar and S. K. Mandal, Dalton Trans., 2016, 45, 7421–7426. 7. S. C. Sau, S. Raha Roy, T. K. Sen, D. Mullangi and S. K. Mandal, Adv. Synth. Catal., 2013, 355, 2982–2991. 8. A. I. Ortega-Arizmendi, E. Aldeco-Perez and E. Cuevas-Yanez, Sci. World J., 2013, DOI: 10.1155/2013/186537 Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-50 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Comparative computational docking study of Mitoxantrone and 2-[1-oxo-3- phenyl-2-(benzosulfonamide)-propylamido]-anthracene-9,10-dione (B1) with parallel G-Quaderuplex DNA (d-(TTGGGGT)4) fragment of telomeric junction Anjali Sharmaa, Pamita Awasthia a Department of Chemistry, National Institute of Technology, Hamirpur, Himachal Pradesh, India-177005 [email protected], [email protected] Abstract: Telomeres is a non coding DNA contains repeating short sequence of Guanine i.e. G-rich sequence present at the end of chromosomes in eukaryotic species which prevents chromosomes from end to end fusion. These guanine residues of telomeric DNA have the ability to form Gquadruplex through the association of four guanines involving tetrameric hydrogen bonding arrangement. The activity of telomerase enzyme which is responsible for progressive synthesis of telomeric repeats and enables the cell to replicate is increased by 75 % in tumor cell which leads to infinite lifetime of tumor cells. Thus, the inhibition of telomerase activity is found to be the main action site for drugs after DNA in cancer therapy. The activity of telomerase enzyme is inhibited by stabilization of G-quadruplex formed from Guanine residues of telomeric DNA i.e. G-rich sequence. Anthraquinone compounds are proposed to inhibit telomerase activity via stabilization of G-quadruplex at telomeric junction. Molecular docking study performed with telomeric fragment d- (TTGGGGT)4 (pdbId: 139D) to check the telomerase inhibition caused by synthesized anthraquinone drug 2-[1-oxo-3-phenyl-2-(benzosulfonamide)-propylamido]- anthracene- 9,10-dione (B1) in comparison to standard anticancer drug Mitoxantrone (MTX). Molecular docking study revealed that the hydrogen bonding formed between Guanine residues of G-quadruplex and polar functional groups present on side chain of MTX (-OH and – NH-) and B1 (-SO2). The least binding energy obtained for synthesized compound B1 (- 7.78 kcal/mol) in comparison to MTX (-6.36 kcal/mol) indicated that G-quadruplex stabilized by B1 to more extent than standard drug MTX. Therefore, synthesizing anthraquinone molecule with sulfonamide feature increases the G-quadruplex stabilization than MTX and thus acting as telomerase inhibitor. Keywords: Anticancer, Anthraquinone, Telomeric G-Quaderuplex DNA, d-(TTGGGGT)4, Molecular modeling. References: [1]. Ou, T. M., Lu, Y. J., Tan, J. H., Huang, Z. S., Wong, K. Y., & Gu, L. Q. “G‑quadruplexes: targets in anticancer drug design”. ChemMedChem: Chemistry Enabling Drug Discovery, 3(5) (2008) 690-713. [2]. Tariq, Z., & Barthwal, R. “Binding of anticancer drug daunomycin to parallel G- quadruplex DNA [d-(TTGGGGT)] 4 leads to thermal stabilization: A multispectroscopic investigation”. International journal of biological macromolecules, 120, (2018) 1965- 1974. [3]. Awasthi, P., Sharma, A., & Vatsal, M. “Spectroscopic, viscometric and computational binding study of 1 and 2 substituted anthraquinone analogs to be potential anti-cancer agents”. Journal of Molecular Structure, 1223 (2021) 129293. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-51 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Metal Nanoparticles Decorated Substrates as Highly Efficient Catalysts for Wastewater Treatment Chandra Shekhar Pati Tripathi* Department of Physics, Institute of Science, Banaras Hindu University Varanasi- 221005, Uttar Pradesh, India. Email: [email protected] Abstract: The access to clean water is one of the most basic requirements of the humans. However, with the ever increasing industrial development, the pollution of water sources is increasing rapidly. The development of Ingenious Technologies for the purification of wastewater containing highly toxic organic compounds is thus of high importance in the current research. The application of noble metal nanocatalysts in the presence of sodium borohydride (NaBH4) for the removal of these toxic compounds through chemical reduction method have become an accepted approach in the recent years.i However, due to extremely high surface energy of NPs, the direct introduction in the reaction mixture leads to aggregation of nanoparticles, which dramatically reduces the catalytic performance. Thus, to understand the reaction mechanism and to investigate the effect of micro- environment on the catalytic properties of metal particles, it is very important to explore the novel techniques for the stabilization of metal nanoparticles. ii In the present work we report on the development of convenient approach to fabricate highly efficient catalysts supported on a variety of supports for wastewater treatment. The efficacy of the as developed catalysts has been tested for the transformation of 4-NP to 4-AP in the presence of sodium borohydride, the catalytic degradation of methyl orange and other important reduction reactions. Keywords: Nanoparticles, Substrates, 4-Nitrophenol, Methyl Orange References: 1. M. Rycenga, C.M. Cobley, J. Zeng, W. Li, C.H. Moran, Q. Zhang, D. Qin, Y. Xia, Controlling the synthesis and assembly of silver nanostructures for plasmonic applications, Chemical reviews, 111 (2011) 3669-3712. 2. A. Moshfegh, Nanoparticle catalysts, Journal of Physics D: Applied Physics, 42 (2009) 233001. Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-52 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference SYNTHESIS AND CHARACTERIZATION OF Ho DOPED ZnO NANOPARTICLES FOR BIOMEDICAL APPLICATIONS K.Vignesh1, M. Prema Rani1* 1Research Centre & PG Department of Physics, The Madura College, Madurai, Tamilnadu 625011, India ABSTRACT: The current study is concerned with the synthesis and characterization of Zn1-xHoxO (X=0, X=0.02, X=0.04, X=0.06, and X = 0.08). The powdered ZnO was synthesized using the chemical precipitation technique. For structural investigation, X-ray diffraction (XRD) and the Rietveld refinement technique were used, while scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDAX) were used to describe the prepared materials' morphology and elemental composition. The functional groups have been identified from Fourier transform Spectroscopy (FTIR).UV-Vis spectroscopy was used to analyze the energy gap of synthesized materials. Photoluminescence (PL) analysis was used to examine the luminescence activity. In addition, the maximum entropy method (MEM) was used to analyze the electron density distribution of single unit cells. Anti- bacterial activity and hemolytic assays were also performed on the synthesized materials. Keywords: Rietveld refinement, charge density, photoluminescence, Anti-microbial activity Corresponding author &mail address 1K.Vignesh [email protected] Research Centre & PG Department of Physics, The Madura College, Madurai, Tamilnadu 625011, India Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in

RACSE-EP-53 Recent Advances in Catalysis Science & Engineering (RACSE-2021) 26-28 October 2021- Virtual Conference Degradation of HBCDs by using green synthezied nanomaterials Vikas Sharma 1* , Manviri Rani 1 , Uma Shanker 2 1Department of Chemistry, Malaviya National Institue of Technology, Jaipur, Rajasthan,India- 302017. 2Department of Chemistry, Dr B R Ambedkar National Institute of Technology Jalandhar, Punjab, India-144011. [email protected]; [email protected]; [email protected] Abstracts: Hexabromocyclododecane (HBCD) is a brominated flame retardant. Its primary application is in extruded (XPS) and expanded (EPS) polystyrene foam. Typical HBCD levels in EPS are 0.7% and in XPS 2.5%. Releases of HBCD in the environment are detected globally and are increasing in certain regions. HBCD, with α-HBCD being the dominant isomer, has been found to be widespread in humans and wildlife. HBCD is persistent, bioaccumulative and toxic which also undergoes long-range environmental transportation. Due to this HBCD has been nominated for inclusion as a persistent organic pollutant under the UN Environment Programme's Stockholm Convention on Persistent Organic Pollutants. It has been difficult to degrade HBCD with developed conventional techniques. The new advance technique were developed which employs use of nanomaterials for removal of organic pollutants. Nanomaterials have advantages of easy synthesis, good semi-conductor, low-cost, high efficiency and environment friendly nature. The nanomaterials and nanocomposites such as TiO2, Fe3O4, ZnO, nZVI, CuO, CdS-ZnO, Ndoped metal composites have shown potential in removal of organic pollutant. The use of nanomaterials synthesized by green method should be promoted for degradation of HBCDs from environment. Keywords: HBCD, Persistence, Bioaccumulative, Toxic, Degradation, Green nanomaterials Organized by Department of Chemistry, National Institute of Technology, Jamshedpur www.racse.in