Faculty Publications
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Item Antimicrobial Metal-organic Frameworks(Wiley-VCH Verlag, 2025) Murugesan, S.Metal-organic frameworks (MOFs) belong to a 3D porous material, which is made of metal ions connected together by organic moieties (ligands). Also, it often underlies between coordination compounds and materials science. Owing to its highly porous structure and other functional properties such as high surface area and surface energy, it has been widely used in various applications, especially in electronics and biomedical sectors by tailor-made cations. MOF-based various substrates, including scaffolds, thin films, hydrogels, and 3D-printed structures showed remarkable improvement in various biological characteristics like cell differentiation, tissue regeneration, controlled drug release, and antimicrobial properties combined with mechanical stability. Antimicrobial MOFs are widely used for tissue regeneration as infections are the major reason for scaffolds or implants failure. This chapter deals only with various antimicrobial-based MOF substrates for a range of biomedical applications, such as tissue/organ regeneration, wound dressing materials, 3D-printed scaffolds, and drug delivery systems. © 2025 Wiley-VCH GmbH.Item Investigation of new carbazole based metal-free dyes as active photo-sensitizers/co-sensitizers for DSSCs(Elsevier Ltd, 2018) Naik, P.; Su, R.; Elmorsy, M.R.; El-Shafei, A.; Vasudeva Adhikari, A.V.Herein, we report the molecular design, synthesis and characterization of three new D-D-?-A configured metal-free chromophores D1-3 for their application in DSSCs as sensitizers as well as co-sensitizers. The new entities comprise carbazole as donor scaffold, 4-methoxyphenyl group as auxiliary donor and three different units, viz. cyanoacetic acid, 2, 4-thiazolidinedione and barbituric acid as acceptor/anchoring groups. Their photochemical, electrochemical and theoretical studies were carried out in order to assess their feasibility as active sensitizers. Further, D1-3 were exploited as co-sensitizers along with NCSU-10 dye. Their photoelectrochemical performances and charge transport properties in fabricated DSSCs were studied. The results revealed that D1 sensitizer displayed the highest PCE of 2.20% among the three dyes. D3 when co-sensitized with NCSU-10 displayed an improved PCE of 8.32% (JSC = 19.25 mA.cm?2, VOC = 0.680 V, FF = 63.7%) while NCSU-10 alone exhibited PCE of 8.25% (JSC = 20.41 mA.cm?2, VOC = 0.667 V, FF = 60.6%). © 2017 Elsevier LtdItem Highly efficient carbazole based co-sensitizers carrying electron deficient barbituric acid for NCSU-10 sensitized DSSCs(Elsevier Ltd, 2018) Naik, P.; Keremane, K.S.; Elmorsy, M.R.; Su, R.; El-Shafei, A.; Vasudeva Adhikari, A.V.Herein, we report a comparative study of four interesting metal-free carbazole based organic dyes with different structural configurations, carrying electron deficient barbituric acid (C1-4), as effective co-sensitizers in DSSCs sensitized with NCSU-10 dye. The new entities comprise different structural architectures, viz. D-A (C1), D-?-A (C2), D-D-?-A (C3) and D-A-?-A (C4) configurations with same accepting/anchoring moiety. They consist of carbazole as donor scaffold linked to barbituric acid as an acceptor/anchoring unit via different ?-spacers. This paper describes the study of all the four co-sensitizers with regard to their structural, photophysical, electrochemical, theoretical and photovoltaic investigations. Also, it includes their structure-performance correlation study in detail. The devices co-sensitized with C1-4 displayed the superior photovoltaic performance when compared to NCSU-10 alone. The results ameliorate the role of efficient co-sensitizers to yield DSSC with improved performance. © 2018 Elsevier LtdItem Improvement in performance of N3 sensitized DSSCs with structurally simple aniline based organic co-sensitizers(Elsevier Ltd, 2018) Naik, P.; Abdellah, I.M.; Abdel-Shakour, M.; Su, R.; Keremane, K.S.; El-Shafei, A.; Vasudeva Adhikari, A.V.In this work, we report comprehensive photovoltaic investigation of four structurally simple D-A configured organic dyes, A1-4 as active co-sensitizers in DSSCs sensitized with well-known Ru (II) based N3 dye. These effective co-sensitizers (A1-4) comprise N,N-dimethylaniline ring as donor scaffold linked with electron withdrawing functionalities, viz. barbituric acid (A1), N,N-dimethyl barbituric acid (A2), thiobarbituric acid (A3), and N,N-diethyl thiobarbituric acid (A4) as acceptor/anchoring units. In the present study, for the first time we have demonstrated the profound role of various simple organic molecules carrying different heterocyclic anchoring units on the photovoltaic parameters of the N3 sensitized devices. Also, the effect of concentration of sensitizer/co-sensitizers on the device performance characteristics has been investigated in depth. From the results, it is evident that, the device fabricated using co-sensitizer A2 carrying N,N-dimethyl barbituric acid along with sensitizer N3 in all concentrations outperformed when compared to N3 alone or other co-sensitizers. Interestingly, the best photovoltaic performance was obtained for the co-sensitized device fabricated using 0.3 mM co-sensitizer A2 along with 0.2 mM of N3 sensitizer. It displayed PCE of 7.02% with JSC of 15.27 mA·cm?2, VOC of 0.671 V and FF of 68.47%. Thus, the observed results have thrown new light upon the device optimization to yield DSSCs with improved performance by the selection of matchable co-sensitizers at appropriate concentrations. © 2018 Elsevier LtdItem Faster Biomineralization and Tailored Mechanical Properties of Marine-Resource-Derived Hydroxyapatite Scaffolds with Tunable Interconnected Porous Architecture(American Chemical Society service@acs.org, 2019) Hadagalli, K.; Panda, A.K.; Mandal, S.; Basu, B.Although hydroxyapatite (HA)-based porous scaffolds have been widely researched in the last three decades, the development of naturally derived biomimetic HA with a tunable elastic modulus and strength together with faster biomineralization properties has not yet been achieved. To address this specific issue, we report here a scalable biogenic synthesis approach to obtain submicron HA powders from cuttlefish bone. The marine-resource-derived HA together with different pore formers can be conventionally sintered to produce physiologically relevant scaffolds with porous architecture. Depending on pore formers, the scaffolds with a range of porosity of up to 51% with a larger range of pore sizes up to 50 ?m were fabricated. An empirical relationship between the compression strength and the elastic modulus with fractional porosity was established. A combination of moderate compressive strength (12-15 MPa) with an elastic modulus up to 1.6 GPa was obtained from cuttlefish-bone-derived HA with wheat flour as the pore former. Most importantly, the specific HA scaffold supports the faster nucleation and growth of the biomineralized apatite layer with full coverage within 3 days of incubation in simulated body fluid. More importantly, the marine-species-derived HA supported better adhesion and proliferation of murine osteoblast cells than HA sintered using powders from nonbiogenic resources. The spectrum of physical and biomineralization properties makes cuttlefish-bone-derived porous HA a new generation of implantable biomaterial for potential application in cancellous bone regeneration. © 2019 American Chemical Society.Item New cyanopyridine based conjugated polymers carrying auxiliary electron donors: From molecular design to blue emissive PLEDs(Elsevier Ltd, 2020) Pilicode, N.; Naik, P.; K M, K.M.; Acharya, M.; Satyanarayan, M.N.; Vasudeva Adhikari, A.V.Three new D-A (Donor-Acceptor) configured conjugated polymers, i.e. PPy1-3, centered on strong electron accepting cyanopyridine scaffold carrying varied auxiliary donors, viz. phenylene (PPy1), biphenyl (PPy2), and fluorene (PPy3) were designed and synthesized as blue emitters for PLEDs. The new polymers were subjected to spectral, thermal, photophysical and electrochemical characterization. Also, computational studies (DFT) were performed on the repeating units of polymer using Turbomole 7.2 V software package at the B3LYP/TZVP hybrid levels. Further, their weight average molecular masses were found to be 38.8 kDa, 38.9 kDa and 57.7 kDa, respectively as determined by GPC technique. Furthermore, the new polymers PPy1-3, were shown to be stable thermally up to 308–374 °C. Evidently, they exhibited good photophysical behavior with their optical energy band gaps of 2.53–2.64 eV. Finally, the polymers PPy1-3 were employed as an active emissive layer in standard ITO/PEDOT:PSS/Polymer/Al configured PLEDs. Interestingly, at 12 V all the newly fabricated devices exhibit a stable blue characteristic electroluminescence with low threshold voltages of 3.40–5.20 V, confirming an efficient injection of electrons in the diodes. From the results, it is clear that, the polymers PPy1-3, can be considered as prospective blue light emitters for PLED application. © 2019 Elsevier LtdItem Nicotinonitrile centered luminescent polymeric materials: Structural, optical, electrochemical, and theoretical investigations(John Wiley and Sons Inc, 2020) Pilicode, N.; Naik, P.; Vasudeva Adhikari, A.V.Herein, we describe the design, synthesis, and structural characterization of three new push-pull type conjugative polymers, that is, VPPy1-3 comprising strong electron-withdrawing N-heterocyclic nicotinonitrile scaffold coupled with electron-donating phenylene units through vinylene bridges, as promising candidates for optoelectronic applications. They were successfully synthesized from their respective co-monomers by simple polycondensation synthetic routes, viz. Knoevenagel and Wittig reactions. All the polymers were subjected to photophysical, electrochemical, thermal, and theoretical studies in order to ascertain their suitability in polymer light-emitting diode applications as blue emitters. Evidently, they are readily soluble in most of the organic solvents, enabling them easy solution-processable. These new polymers display strong blue photoluminescence at the peak in the range of 431 to 462 nm with a wide optical bandgap in the order of 2.55 to 2.63 eV. The obtained electrochemical data were employed to evaluate their HOMO/LUMOs. The density functional theory calculations generated useful information on their FMO, molecular geometries, and electronic properties. Also, the influence of their structural modification on the above-said properties was discussed in detail to reveal the structure-property relationship. Conclusively, these results illustrate the great prospective of this class of polymeric materials for the application in solution-processable blue LEDs. © 2020 Society of Plastics EngineersItem New cyanopyridine-based ?-conjugative poly(azomethine)s: Synthesis, characterization and electroluminescence studies(John Wiley and Sons Ltd, 2021) Pilicode, N.; Naik, P.; K M, K.M.; Acharya, M.; Satyanarayan, M.N.; Vasudeva Adhikari, A.V.Four new Schiff-base type conjugative polymers (CPs), that is, Py1-4 carrying a strong electron-withdrawing cyanopyridine scaffold coupled with different electron-donating aromatic/heteroaromatic moieties were synthesized from their respective co-monomers by simple poly-condensation route. They were subjected to structural, thermal, photophysical, and electrochemical characterizations and theoretical investigations in order to identify their suitability in polymer light-emitting diode (PLED) application. All these polymers showed good film-forming ability and exhibited favorable photophysical behaviors with an optical bandgap in the order of 2.54-2.68 eV. Further, their electrochemical data were used to evaluate highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels. Finally, Py1-4 were successfully employed as blue-light emitter in the construction of new ITO/PEDOT:PSS/ Py1-4/Al configured light-emitting diodes (LED), and the fabricated devices demonstrated stable blue electroluminescence behavior endorsing an effective electrons injection in the PLEDs. © 2020 John Wiley & Sons LtdItem Pyrene-based chalcones as functional materials for organic electronics application(Elsevier Ltd, 2023) Kagatikar, S.; Dhanya, D.; Kekuda, D.; Satyanarayana, M.N.; Kulkarni, S.D.; Sudhakar, Y.N.; Vatti, A.K.; Sadhanala, A.Though new generation organic electronic devices have evolved from mere scientific perceptions to real-life marketed applications, considerably less research attention has been focused on n-type or electron transporting small molecule semiconductors. The present study is focused on the exploration of structural, thermal, electrochemical, electrical, and optical properties of two pyrene-based chalcones: PC1 and PC2, synthesized through Claisen Schmidt condensation reaction. The chalcones displayed good thermal stability and wide bandgap n-type semiconducting behaviour with high charge carrier concentration and dielectric constant. The experimental evidences including fluorescence measurements, nanoaggregate size, and morphology analysis, supported by DFT calculations and molecular dynamic simulations advocated the intramolecular charge transfer and aggregation-induced enhanced emission features of the molecules. Successful fabrication of a diode in combination with the current-voltage characteristics established the candidature of PC1 and PC2 for electro-optical devices. The dielectric studies were performed to measure dielectric constant and AC conductivity at different frequency ranges. The cyclic voltammetry and AC impedance response of PC2 differed from PC1 due to the inclusion of a fluorine atom in the molecular scaffold. Further, the functional implication of PC2 as an electrode material was explored by constructing a supercapacitor, which offered a specific capacitance of 220 Fg-1 at a scan rate of 10 mV s−1. Moreover, these chalcone-based organic semiconductors displayed high thermal and charge carrier concentration as well as compatibility with other layers in an OLED device. Hence PC1/PC2 can be further investigated as dopants along with other emissive layers as host materials in OLEDs. © 2022 Elsevier B.V.Item Synthesis, optical, electrochemical, and computational investigation of new cyanopyridine-centered organic dyads(Elsevier B.V., 2023) Naik, P.; Pilicode, N.; Keremane, K.S.; Acharya, M.; Vasudeva Adhikari, A.V.Herein we report the molecular design, synthesis, and inclusive investigation of four novel di-anchored symmetric dyes (CP1-4) centered on electron deficient cyanopyridine scaffold as possible photosensitizers for DSSC application. These new chromogens (CP1-4) comprise a powerful electron-withdrawing cyanopyridine moiety linked with additional electron attracting functionalities such as cyanoacetic acid (CP1), 3-(carboxymethyl) rhodanine (CP2), 2,4,6-pyrimidinetrione (CP3), and 2,6-dihydroxy-2-mercaptopyrimidine (CP4), as effective acceptor/anchoring units via biphenyl donor units. Their in-depth optical and electrochemical behaviour were investigated to assess their suitability as photosensitizers. Further, the molecular modeling calculations were undertaken to understand their ground state properties and energy level potentials. The comprehensive studies revealed that they own all the requisites to performance as a potential photosensitizer for DSSC application. © 2023 Elsevier B.V.