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Photocatalytic degradation of malachite green dye under UV light irradiation using calcium-doped ceria nanoparticles 2 2 In this study, photocatalytic activity of Ca-doped ceria (CDC) for malachite green (MG) degradation was investigated. CDC was successfully synthesized via co-precipitation method using ammonium oxalate as a precipitating agent. CDC was characterized using Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), UV-Vis spectroscopy, and scanning electron microscopy (SEM). The band gap energy (Eg) of CDC was found to be 3.96 eV. In addition, the factors affecting the photodegradation of MG including; irradiation time, photocatalyst dosage, initial dye concentration, and solution temperature were studied. The results revealed that CDC could degrade approximately 93% of MG dye at the concentration of 6 mg/L, irradiation time of 90 min, photocatalyst dosage of 0.1 g, and solution temperature of 35 °C. The obtained results indicate that CDC is a promising material for the photocatalytic applications and can be used to eliminate very toxic dyes such as MG. 1 - 1 14 - - Ibrahim A. Amar Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya |Central Laboratory at Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya ibr.amar@sebhau.edu.ly - - Hebatallah M. Harara Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya heba1996991@gmail.com - - Qamrah A. Baqul Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya qamarsalah96@gmail.com - - Mabroukah A. Abdul Qadir Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya mabr.asalheen@fsc.sebhau.edu.ly - - Fatima A. Altohami Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya fat.altohami@sebhau.edu.ly - - Mohammed M. Ahwidi Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya mohammedahwidi@yahoo.com - - Ihssin A. Abdalsamed Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya ihs.abdalsamed@sebhau.edu.ly - - Fatema A. Saleh Department of Chemistry, Faculty of Science, Sebha University, Sebha, Libya Department of Chemistry, Faculty of Science, Libya fatema6288@gmail.com dye photodegradation Nanostructured materials doped ceria catalyst Semiconductor Optical properties [1]. Mousavi M., Habibi-Yangjeh A., Pouran S. R. J. Mater. Sci. Mater. Electron.,2018, 29:1719##[2]. Chen Y., Zhang Y., Liu C., Lu A., Zhang W. Int. J. Photoenergy., 2012, 2012:1##[3]. Mohamed A., Ghobara M. 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Antifungal activity of biosynthesized CuO nanoparticles using leaves extract of Moringa oleifera and their structural characterizations 2 2 Copper oxide nanoparticles (CuONPs) were synthesized using Moringa oleifera leaf extract via a simple green chemistry approach. The prepared CuONPs were characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR), UV-visible diffuse reflectance spectroscopy (UV-DRS), and photoluminescence (PL) analysis. The CuONPs showed antifungal activity against Candida albicans, Aspergillus niger, Aspergillus clavatus, Trichophyton mentographytes, and Epidermophyton floccosum. The results revealed the successful synthesis of CuONPs by simple green chemistry approach may provide a useful tool in the field of nanotechnology. 1 - 15 23 - - Khanderao Pagar Department of Chemistry, KKHA Arts, SMGL Commerce and SPHJ Science College, Chandwad, Savitribai Phule Pune University, Maharashtra 423 101, India Department of Chemistry, KKHA Arts, SMGL India khanderaopagar205@gmail.com - - Suresh Ghotekar Department of Chemistry, Sanjivani Arts, Commerce and Science College, Kopargaon 423 603, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, Sanjivani Arts, India ghotekarsuresh7@gmail.com - - Trupti Pagar Department of Chemistry, G.M.D Arts, B.W Commerce and Science College, Sinnar, 422 103, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, G.M.D Arts, B.W India truptighotekar318@gmail.com - - Amol Nikam Department of Chemistry, GMV Science College, Tala 402 111, University of Mumbai, Maharashtra, India Department of Chemistry, GMV Science College, India amolknikam92@gmail.com - - Shreyas Pansambal Department of Chemistry, S.N. Arts, D.J.M. Commerce and B.N.S. Science College, Sangamner 422 605, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, S.N. Arts, D.J.M. India shreyas.pansambal@gmail.com - - Rajeshwari Oza Department of Chemistry, S.N. Arts, D.J.M. Commerce and B.N.S. Science College, Sangamner 422 605, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, S.N. Arts, D.J.M. India rajeshwariksaraswat@gmail.com - - Dnyaneshwar Sanap Department of Chemistry, Arts, Commerce and Science College, Dindori 422 202, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, Arts, Commerce and India sanapdnyanu90258@gmail.com - - Harshal Dabhane Department of Chemistry, S.N. Arts, D.J.M. Commerce and B.N.S. Science College, Sangamner 422 605, Savitribai Phule Pune University, Maharashtra, India Department of Chemistry, S.N. Arts, D.J.M. India hdabhane@rediffmail.com Nanotechnology CuO NPs Antifungal activity Moringa oleifera Photoluminescence [1]. Gawande M.B., Goswami A., Felpin F.X., Asefa T., Huang X., Silva R., Zou X., Zboril R., Varma R.S. Chemical reviews, 2016, 116:3722##[2]. Ghosh Chaudhuri R., Paria S. Chemical reviews, 2011, 112:2373##[3]. Daniel M.C., Astruc D. Chemical reviews, 2004, 104:293##[4]. Ghotekar S. Asian J. Green Chem., 2019, 3:187##[5]. Ahmed S., Ahmad M., Swami B.L., Ikram S. Journal of Advanced Research, 2016, 7:17##[6]. Frewer L.J., Gupta N., George S., Fischer A.R.H., Giles E.L., Coles D. Trends in Food Science & Technology, 2014, 40:211##[7]. Kamble D.R., Bangale S.V., Ghotekar S.K., Bamane S.R. J Nanostruct., 2018, 8:144##[8]. Syedmoradi L., Daneshpour M., Alvandipour M., Gomez F.A., Hajghassem H., Omidfar K. Biosensors and Bioelectronics, 2017, 87:373##[9]. Ghotekar S., Pansambal S., Pagar K., Pardeshi O., Oza R. Nanochem. Res., 2018, 3:189##[10]. 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Magnetic nanoparticles - a promising tool for targeted drug delivery system 2 2 Over the last decade, nanotechnology has brought great development in the biomedical field. This study reviewed some physical and chemical characteristic of magnetic nanoparticles that are crucial for medical applications. Advances in preparation of magnetic nanoparticles have some superior applications in hyperthermia, magnetic drug delivery, gene delivery, and magnetic resonance imaging. It was found that, the bio-distribution, pharmacokinetic, and biocompatibility magnetic nanoparticles can be affected by their physicochemical properties, size, shape, and surface chemistry. 1 - 24 37 - - Prakruti Amin Prakruti Amin, Sal Institute of Pharmacy, Pharmaceutics Dept. Nr. Science City, Ahmedabad, Gujarat-India Prakruti Amin, Sal Institute of Pharmacy, India prakrutiamin@gmail.com - - Manish Patel Manish Patel L.M.College of Pharmacy, Pharmaceutics Dept. Navrangpura, Ahmedabad-Gujarat-India Manish Patel L.M.College of Pharmacy, Pharmaceutic India Magnetic nanoparticles Biomedical Hyperthermia Gene delivery [1]. Goesmann H., Feldmann C. Chem. Int. Ed., 2010, 49:1362##[2]. Abolfazl A., Mohamad S., Soodabeh D. Nanoscale Research Letters, 2012, 7:144##[3]. Vashist S.K. J. Nanomed Nanotechol, 2013, 4:1000e130##[4]. Yadollahpour A. Orient. J. Chem., 2015, 31: 25##[5]. Jordan A., Scholz R., Wust P., Fähling H., Felix R. Journal of Magnetism and Magnetic Materials, 1999, 201:413##[6]. Kolhatkar A.G., Jamison A.C., Litvinov D., Willson R.C., Lee. T.R. International Journal of Molecular Sciences, 2013, 14:15977##[7]. Sun C., Lee J.S., Zhang M. Adv Drug Deliv Rev, 2008, 60:1252##[8]. Veiseh O., Gunn J.W., Zhang M. Adv Drug Deliv Rev., 2010, 62:284##[9]. Chomoucka J., Drbohlavova J., Huska D., Adam V., Kizek R., et al. Pharmacol Res, 2010, 62:144##[10]. Ali Y., Morcos S.K., Anderson P.B. Material Science ResearchIndia, 2014, 11:102##[11]. Morcos S.K. Br J Radiol, 2007, 80:73##[12]. Ersoy H., Rybicki F.J. J Magn Reson Imaging, 2007, 26:1190##[13]. Muldoon L.L., Sandor M., Pinkston K.E., Neuwelt E.A. Neurosurgery, 2005, 57:785##[14]. Stuart C.M., Yiu H., Dobson J. International journal of Nanomedicine, 2008, 3:169##[15]. Mody V., Cox A., Shah S., et al. Appl Nanosci, 2014, 4:385##[16]. Murray C.B., Norris D.J., Bawendi M.G. J. Am. Chem. Soc., 1993, 115:8706##[17]. Peng X.G., Manna L., Yang W.D., Wickham J., Scher E., et al. Nature, 2000, 404: 59##[18]. Cui R., Han Z., and Zhu J.J. A European Journal. 2011, 17:9377##[19]. Wang, X., Wang Z., Guo W., Kuang X., Hou, Hong zhuo Liu Sh. Chem. Commun., 2012, 48: 4812##[20]. Khan K., Rehman S., Rahman H.U., Khan Q. Nanomagnetism, 2015, 136##[21]. Thorek D.L., Chen A.K., Czupryna J., Tsourkas A. Annals of biomedical engineering, 2006, 34:23##[22]. Gupta A.K., M. Gupta, Biomaterials, 2005, 26:3995##[23]. Shaw S.Y., Chen Y.J., Ou J.J., Ho L. Enzyme Microb. Technol., 2006, 39:1089##[24]. Indira T.K., Lakshmi P.K. International Journal of Pharmaceutical Sciences and Nanotechnology, 2010, 3:1035##[25]. Rudin M., Weissleder, Nat Rev Drug Discov, 2003, 2:123##[26]. Gu H.W., Zheng R.K., Zhang X.X., Xu B. J. Am Chem Soc., 2004, 126:5664##[27]. Sun S.H., Zeng H., Robinson D.B., Raoux S., Rice P.M., Sun S., Zeng H., Robinson D.B., Raoux S., Rice P.M., Wang S.X., Li G. J. Am. Chem. Soc., 2004, 126:273##[28]. Akbarzadeh A., Samiei M., Davaran S. Nanoscale Research Letters, 2012, 7:144##[29]. Biehl P., Lühe M. , Dutz S., Felix H. Polymers, 2018, 10:91##[30]. Zeng Q., Baker I., Loudis, J.A., Liao Y., Hoopes P.J., Weaver J.B. Appl. Phys. Lett., 2007, 90:233112##[31]. Kayal S., Ramanujan R.V. Sci. Eng., 2010, 30:484##[32]. Hu F.X., Neoh K.G., Kang E.T. Biomaterials, 2006, 27:5725##[33]. Parvin S., Matsui J., Sato E., Miyashita T. J. Sci., 2009, 313:128##[34]. Shubayev V.I., Pisanic T.R., Jin S.H. Adv Drug Deliv Rev., 2009, 61:467##[35]. Gruttner C., Rudershausen S., Teller .J Magn Mater, 2001, 225:1##[36]. Nitin N., LaConte L.E.W., Zurkiya O. J Biol Inorg Chem., 2004 9:706##[37]. Chen YH, Liu YY, Lin RH, Yen FS. J Appl Polym Sci., 2008,108:583##[38]. Jiri K., Yazan H., Lukas R. et al., Nanomaterials, 2017, 7:243.##[39]. Bhatia S. Natural Polymer Drug Delivery Systems, 2016, 33:93##[40]. Sun C., Lee J.S., Zhang M. Advanced drug delivery reviews, 2008, 60: 1252 ##[41]. Devitt M.R., Chattopadhyay D., Kappel B.J., Jaggi J.S., Schiffman S.R., Antczak C. J. Nucl. Med., 2007, 48:1180 ##[42]. Jun L., Chunyan H., Quanguo H. (2015) Science of Advanced Materials, 2015, 7:672##[43]. Singh N., Jenkins G. J. S., Asadi R., Doak S. H. NanoReviews, 2010, 1:53##

Bio-synthesis of iron oxide nanoparticles using neem leaf cake extract and its influence in the agronomical traits of vigna mungo plant 2 2 In this work reports the synthesis of iron oxide along with the complex formation from the neem cake using the biosynthesis and precipitation method. Ferrous sulphate (FeSO4) and sodium hydroxide were used as the precursor precipitating agent, respectively. The resultant specimens were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), ultra-violet visible spectroscopy (UV-Vis), fourier-transform infrared spectroscopy (FT-IR), soil test, biochemical, and phytochemical analysis. To test the effect of the synthesized specimen as the nanofertilizer in the seed germination and the growth, the sample was incorporated in to the red soil and the agronomical traits including plant height. Number of leaves were studied over a survival period of 75 days of the selected plant species vigna mungo using POT analysis. The plant samples were harvested, and then the biochemical and phytochemical studies were carried out for alkaloids, glycosides, flavonoids, phenols, steroids, protein and total chlorophyll content. The results showed that the nanoparticles incorporation enhanced the plant growth and increased the concentration of the bioactive compounds in an appreciable level. 1 - 38 46 - - Ramesh Radhakrishnan Department of Physics, Sacred Heart College (Autonomous), Tirupattur, Tamil Nadu, India Department of Physics, Sacred Heart College India kaviyarasuloyolacollege@gmail.com - - Dhanaraj Lakshmi Department of Physics, Sacred Heart College (Autonomous), Tirupattur, Tamil Nadu, India Department of Physics, Sacred Heart College India - - Faize Liakath Ali Khan Department of Physics, Islamiah College (Autonomous), Vaniyambadi, Vellore Department of Physics, Islamiah College (Autonomou India - - Gopal Ramalingam Quantum Materials Research Lab (QMRL), Department of Nanoscience and Technology, Alagappa University, Karaikudi - 630003, Tamil Nadu, India Quantum Materials Research Lab (QMRL), Department India - - Kasinathan Kaviyarasu Nanoscience’s/Nanotechnology Laboratories, College of Graduate Studies, University of South Africa (UNISA), Muckleneuk Ridge, P O Box 392, Pretoria, South Africa|Nanoscience ’s African Network (NANOAFNET), Materials Research Group Nanoscience’s/Nanotechnology Laboratories, South Africa kavi@tlabs.ac.za Biosynthesis Neem cake Biochemical Phytochemical Morphological studies [1]. 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Influence of atomizing voltage on fluorine doped tin oxide via spray pyrolysis technique 2 2 Synthesis and characterization fluorine-doped tin oxide thin film using spray pyrolysis were coated on a glass substrate by varying the atomizing voltage. The XRD analysis was carried out and the results showed that the deposited films are polycrystalline in nature having the characteristic peaks of tetragonal structure of SnO2. The observed peaks are (110), (101), (200), (211) and the preferential growth was found to be (110) direction. The I/V plots of the material deposited with 3.8 kV, 4.0 kV and 4.2 kV, which represent sample FT1-FT3 showed a non-linear plot and observed to be a non Ohmic semiconducting material. It was also noticed that as the atomizing voltage of the depositing material increases the thickness of the films increases. The resistivity of the material deposited increases and decreases at 4.0 kV as the atomizing voltage and thickness of the films increases. The electrical conductivity of the material deposited increases with respect to the atomizing voltage and thickness, respectively. It was observed that as the optical absorbance and reflectance decreased the wavelength of the incident radiation and transmittance enhanced as the wavelength of the incident radiation increased and the band gap energy of the films were observed to be at the range of 2.70-3.10 eV. 1 - 47 57 - - Ebube G. Agbim Department of Physics And Industrial Physics, Faculty of Physical Science, Nnamdi Azikiwe University, Awka Department of Physics And Industrial Physics, Nigeria - - Imosobomeh L. Ikhioya Department of Physics And Industrial Physics, Faculty of Physical Science, Nnamdi Azikiwe University, Awka|Crystal Growth and Material Science Laboratory/Department of Physics and Astronomy, Faculty of Physical Sciences, University of Nigeria, Department of Physics And Industrial Physics, Nigeria imosobomeh.ikhioya@unn.edu.ng - - Azibuike J. Ekpunobi Department of Physics And Industrial Physics, Faculty of Physical Science, Nnamdi Azikiwe University, Awka Department of Physics And Industrial Physics, Nigeria spray pyrolysis Fluorine Tin Oxide XRD Optical properties [1]. Shanthi S., Subramanian C., Ramasamy P. Journal of Crystal Growth, 1999, 197:858##[2]. Abdullahi S., Moreh A.U., Hamza B., Wara M.A., Kamaluddeen H., Kebbe M.A., Monsuorat U.F. International Journal of Recent Research in Physics and Chemical Sciences, 2015, 1:1##[3]. Chamberlin R.R., Skarman J.S. Journal of the Electrochemical Society, 1966, 113:86##[4]. Filipovic L., Siegfried S., Giorgio C.M., Elise B., Stephan S., Anton K., Jordi T., Jochen K., Jorg S., Franz S. Microelectronics Engineering, 2013, 117:57##[5]. Hongli Z. International Journal of Applied Glass Science, 2013, 4:242##[6]. Jariwala C., Dhivya M., Rane1 R., Chauhan N., Rayjada P.A., Raole P.M., John P.I. Journal of Nano and Electronics Physics,2013, 5:1##[7]. 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Biosynthesis of silver nanoparticles using leaf and bark extract of indian plant carissa carandas, characterization and antimicrobial activity 2 2 Biosynthesized silver nanoparticle is a very expanding and useful area. The reductant material in the plant extracts (leaves and bark) of Carissa carandas can produce silver nanoparticles. The plant leaves and bark extract of Carissa caranadas act as reducing and capping agent. Conventionally, chemical reduction is the most frequently applied approach for preparation of metallic nanoparticles; however, it might be hazardous to environment. In the present work we report eco-friendly, cost effective, and green approach for the synthesis of AgNPs by using 0.02 M AgNO3 solution and plant extracts (leaves and bark) of Carissa caranadas as reducing and capping agent. The synthesized nanoparticles were characterized using UV-VIS spectrophotomer, XRD, FT-IR, FE-SEM, and ICP-AES analysis. The biosynthesized silver nanoparticles showed a comparable antimicrobial activity against Staphylococcus aureus, Escherichia coli, and Aspergillus niger. Antimicrobial activity of the biosynthesized silver nanoparticles suggests their possible application in medical and pharmaceuticals industry. 1 - 58 66 - - Satish B. Manjare Department of Chemistry, Ratnagiri Sub-Centre, University of Mumbai, P-61, MIDC-Mirjole, Ratnagiri 415639. M.S. India Department of Chemistry, Ratnagiri Sub-Centre, India satish.manjare@rediffmail.com - - Sandip G. Sharma Department of Chemistry, Ratnagiri Sub-Centre, University of Mumbai, P-61, MIDC-Mirjole, Ratnagiri 415639. M.S. India Department of Chemistry, Ratnagiri Sub-Centre, India saandip.sharma1995@gmail.com - - Vijay L. Gurav Department of Chemistry, Ratnagiri Sub-Centre, University of Mumbai, P-61, MIDC-Mirjole, Ratnagiri 415639. M.S. India Department of Chemistry, Ratnagiri Sub-Centre, India vlgurav83@gmail.com - - Mamata R. Kunde Department of Chemistry, Ratnagiri Sub-Centre, University of Mumbai, P-61, MIDC-Mirjole, Ratnagiri 415639. M.S. India Department of Chemistry, Ratnagiri Sub-Centre, India mamtakunde@gmail.com - - Sneha S. Patil Department of Chemistry, Ratnagiri Sub-Centre, University of Mumbai, P-61, MIDC-Mirjole, Ratnagiri 415639. M.S. India Department of Chemistry, Ratnagiri Sub-Centre, India snehapatil1997l@gmail.com - - Shankar R. Thopate Department of Chemistry, Shree Sadguru Gangageer Maharaj Science Gautam Arts & Sanjivani Commerce College, Kopargaon, Dist-Ahmednagar 423601, M.S. India Department of Chemistry, Shree Sadguru Gangageer India srthopate@gmail.com Green synthesis Silver nanoparticles UV-Visible Spectrophotometer FT-IR ICP-AES Antimicrobial activity [1]. Li X., Zhu T., Shao Z., Li Y., Chang H., Gao W., et al. Tetrahedron. 2016, 72:69##[2]. Gurunathan S. Arab J Chem., 2019, 12:168##[3]. Banerjee P., Satapathy M., Mukhopahayay A., Das P. Bioresour Bioprocess. 2014, 1:1##[4]. Nemamcha A., Moumeni H., Rehspringer J.L. Phys. Procedia., 2009, 2:713##[5]. Sharma M., Sarma P.J., Goswami M.J., Bania K.K. J Colloid Interface Sci., 2017, 490:529##[6]. De Castro K.A., Rhee H. J Incl Phenom Macrocycl Chem. 2015, 82:13##[7]. Kora A.J., Rastogi L. Arab J Chem. 2018, 11:1097##[8]. Santoshi kumari A., Venkatesham M., Ayodhya D., Veerabhadram G. Appl Nanosci. 2015, 5:315##[9]. Singhal G., Bhavesh R., Kasariya K., Sharma A.R., Singh R.P. J Nanoparticle Res., 2011, 13:2981##[10]. Gavhane A., Padmanabhan P., Kamble S., Jangle S. Int J Pharma Bio Sci., 2012, 3:88##[11]. Kalpana D., Han J.H., Park W.S., Lee S.M., Wahab R., Lee Y.S. Arab J Chem . 2014, 12:1722##[12]. Krishnaraj C., Muthukumaran P., Ramachandran R., Balakumaran M.D., Kalaichelvan P.T. Biotechnol Reports., 2014, 4:42##[13]. Deshmukh S.R., Ashrit D.S., Patil B.A. Int J Pharm Pharm Sci., 2012, 4:329##[14]. Siddiqi K.S., Husen A. Nanoscale Res. Lett., 2016, 11:482##[15]. Gurunathan S., Kim E.S., Han J.W., Park J.H., Kim J.H., Grumezescu A.M. Molecules. 2015, 20:22476##[16]. Mallikarjuna K., John Sushma N., Narasimha G., Manoj L., Deva Prasad Raju B. Arab J Chem., 2014, 7:1099##[17]. Satapathy M.K., Banerjee P., Das P. Appl Nanosci., 2015, 5:1##[18]. Padalia H., Moteriya P., Chanda S. Arab J Chem., 2015, 8:732##

Computational approach of palladium (II) complex ions with binuclear diamine ligands thermo-physical, chemical, and biological properties: a dft study 2 2 Incomputational chemistry through various basis sets, it is possible to design new molecules and discuss their use through their physical, chemical, biochemical studies. Chemical activity, biological activity, physical chemical activities can be diagnosed using density functional theory (DFT) for some palladium (II) complex ions. In this research study, the optimized dihydrazine palladium (II) complex ion (L01), di(1, 2- diaminemethane) palladium (II) complex ion (L02), di(1, 2- diamineethane) palladium (II) complex ion (L03), and di (1, 2- diamine propane) palladium (II) complex ion (L04) were simulated. Finally a comparative study of the palladium (II) complex ions were designed to show what ions are biologically more active using their QSAR data and orbital diagrams for HOMO and LUMO of the study of electronic properties. The HOMO-LUMO gap was also evaluated for chemical reactivity. The PIC50 value was calculated using the QSAR data where the value ​​of L01, L02, and L03 L04 where -15.757, 13.128, -6.111 and -5.955, respectively. If PIC50 is below -6, then the compound is said to be biologically active. It was found that, the L04 is highly biological active and L03 is almost similar to L04. Also, by enhancing the methyl group in palladium chain, the biological activity increased. 1 - 67 81 - - Mohammad Jahidul Islam Department of Physics, European University of Bangladesh, Dhaka-1216, Bangladesh Department of Physics, European University Bangladesh jahidulkhan106490@gmail.com - - Sunanda Paul Department of Biochemistry and Molecular Biology, University of Chittagong, Chittagong,Hathazari-4334, Bangladesh Department of Biochemistry and Molecular Bangladesh paulsunanda.bmb@gmail.com - - Ajoy Kumer Department of Chemistry, European University of Bangladesh, Dhaka-1216, Bangladesh Department of Chemistry, European University Bangladesh kumarajoy.cu@gmail.com - - Md Nuruzzaman Sarker Department of Physics, European University of Bangladesh, Dhaka-1216, Bangladesh Department of Physics, European University Bangladesh nuruzzamansust@gmail.com Palladium (II) DFT QSAR HOMO LUMO Vibrational spectroscopy Electronic spectroscopy [1]. Chen X., Engle K.M., Wang D.H., Yu J.Q. Angewandte Chemie International Edition, 2009, 48:5094##[2]. Lazarević T.R., Bugarčić A., Živadin D. European journal of medicinal chemistry, 2017, 142:8##[3]. Ray S.M., Singh R., Jay K., Samantaray Manoja K., Shaikh Mobin M., Panda D., Ghosh P. Journal of the American Chemical Society, 2007, 129:15042##[4]. Ajoy Kumer M.N.S., Sunanda PAUL, International Journal of Chemistry and Technology, 2019, 3:26##[5]. Ajoy Kumer M.N.S., Paul S., Zannat A. Advanced Journal of Chemistry-Section A, 2019, 2:190##[6]. Islam M.J., Sarker Md.N., Kumer A., Paul S. International journal of Advanced Biological and Biomedical Research, 2019, 7:318##[7]. Islam M.J., Kumer A., Sarker Md. N., Paul S., Zannat A. Advanced Journal of Chemistry-Section A, 2019, 2:316##[8]. Ajoy K., Paul S., Sarker Md.N., Islam M.J. International Journal of New Chemistry, 2019, 6:236##[9]. Ajoy K., Sarker Md.N., Pual S. Eurasian Journal of Environmental Research, 2019, 3:1##[10]. Islam M.J., Sarker Md.N., Kumer A., Paul S., International journal of Advanced Biological and Biomedical Research, 2019, 7:306##[11]. Kumer A., Ahmed B., Sharif Md.A., Al-Mamun A. Asian Journal of Physical and Chemical Science, 2017, 4:1##[12]. Sarker Md.N., Ajoy K., Islam M.J., Sunanda P. Asian Journal of Nanoscience and Materials, 2019, 2:439##[13]. Miyaura N., Suzuki A. Chemical eviews, 1995, 95:2457##[14]. Miyaura N., Yanagi T., Suzuki A. Synthetic Communications, 1981, 11:513##[15]. Hossain M.I., Ajoy K. Asian Journal of Chemical Science, 2018, 3:1##[16]. Kumer A., Ahmed B., Sharif M.A., Al-Mamun A. Asian Journal of Physical and Chemical Science, 2017, 4:1##[17]. Garrett C.E., Prasad K. Advanced Synthesis & Catalysis, 2004, 346:889##[18]. Doucet H., Hierso J.C. Currentopinion in drug discovery & development, 2007, 10:672 [19]. Ajoy K., Sunanda P., Sarker N.Md., Islam J.M. International Journal of New Chemistry, 2019, 6:236##[20]. Howard A., McIver J., Collins J. Hyperchem computational chemistry. Hypercube Inc., Waterloo 1994##[21]. Koopmans Y.T. Physica, 1934, 1:104##[22]. Parr R.G., Szentpály L.V., Liu S. Journal of the American Chemical Society, 1999, 121:1922##[23]. Canadell S., Pouget J.P., Brossard L. Solid State Communications, 1990, 75:633##[24]. Zineb Almi S.B., Lanez T., Tchouar N. International Letters of Chemistry, Physics and Astronomy, 2014, 37:113##

An innovative approach delivery of anticonvulsant via transcranial route using a smart bio-functional agent cum musa acuminata 2 2 Epilepsy is a central nervous system disorder (neurological disorder) in which the nerve cell activity in the brain becomes disrupted, causing unprovoked, recurrent seizures or unusual behavior, sensations or even unconsciousness. In this research work, Pregablin selected as a molecule for designing a emulgel using novel bio-functional agent and compared with standard polymer. This can be overcome by minimizing the dose and side-effects of API molecule used for various routes. The Pregablin loaded emulgel was prepared using novel bio-functional agent isolated from fruit pulp of Musa acuminata and with standard polymer (sodium alginate) with different ratios. The prepared formulations were evaluated for pH stability studies, % entrapment efficacy, in-vitro drug release and stability studies. The prepared emulgel was subjected to the best formulation based on comparison of above mentioned evaluation parameters, FM2 formulation was found to be the best formulation showing an R2 value of 0.9487, T50% of 23.52 h and T80% of 60.22 h respectively. According to the release kinetics, the best fit model was Peppas Korsmeyer with Fickian Diffusion (Higuchi Matrix) as the mechanism of drug release. Musa acuminata provided the excellent stability for the formulation. The results revealed that, uaing Musa acuminata as bio-functional agent was safe and compatible with drug, so Pregablin loaded emulgel can be more affective for brain targeting upon trans-cranial administration. 1 - 82 92 - - Satheesh Madhav Faculty of Pharmacy, DIT University, Mussoorie diversion Road, Dehradun-248009, Uttarakhand, India Faculty of Pharmacy, DIT University, Mussoorie India satheesh_madhav@yahoo.com - - Abhinav Dewari Faculty of Pharmacy, DIT University, Mussoorie diversion Road, Dehradun-248009, Uttarakhand, India Faculty of Pharmacy, DIT University, Mussoorie India abdewari007@gmail.com - - Yogita Tyagi Faculty of Pharmacy, DIT University, Mussoorie diversion Road, Dehradun-248009, Uttarakhand, India Faculty of Pharmacy, DIT University, Mussoorie India tyagi.yogi.89@gmail.com Bio-functional agent Emulgel Epilepsy Musa acuminata Pregablin [1]. Guzel O. J of Bio Trace Ele Res., 2016, 178:1##[2]. Marra V. Epilepsy Research, 2015, 10:6##[3]. Khambhati A.N., Davis K.A, Oommen B.S, Chen S.H, Lucas T.H, Litt B. PLOS Computational Biology, 2015, 11:1##[4]. Danzer S. Neuron Journal, 2012, 75:739##[5]. Pathirana W., Kariyawasam S.H., Tibbotumunwa H., Perera K. Indian J Pharm Sci., 2006, 68:493##[6]. Pathirana W., Abhayawadhana P., Kariyawasam S.H., Ratnasooriya W.D. Indian J. Pharm Sci., 2009, 71:264##[7]. Kamila S., Madhav N.V.S., Sarkar C.N. IJPSR., 2015, 6:1000##[8]. Varshney S., Madhav N.V.S. J. Mol. Medi. and Clin App., 2017, 2:1##[9]. Kotecha R.K., Bhadra S., Rajesh K.S. Int J of Phar and Pharmaceut Sci., 2013, 4:490##[10]. Francis D., Mouftah S., Steffen R., Beduneau A., Pellequer Y., Lamprech A. Eur J Pharm Biopharm., 2015, 89:56##[11]. Madhav N.V.S., Yadav A.P. Acta Pharmaceutica Sinica B., 2013, 6:408##[12]. Dattatraya S.M., Loknete J.D. Int. J. Phar. and Pharmaceut Sci., 2018, 10:93##