Search Results - "Subashchandrabose, S."

Transport and fate of microplastics in wastewater treatment plants: implications to environmental health by Raju, Subash, Carbery, Maddison, Kuttykattil, Aswin, Senathirajah, Kala, Subashchandrabose, S. R., Evans, Geoffrey, Thavamani, Palanisami

“…Global studies of microplastic (MP) pollution confirm wastewater treatment plants serve as pathways for microplastics entering terrestrial and aquatic…”
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Synthesis, characterization, quantum mechanical calculations and biomedical docking studies on curcumin analogs: 2, 6-(Difurfurylidene) cyclohexanone and 2, 6 – Bis (2,6-Dichloro Benzylidene) Cyclohexanone by Sathiyamoorthi, S., Chandrasekaran, Meganathan, Thiruppathi, K., Padmanathan, P., Subashchandrabose, S., Gomathi, S.

“…The initiation of colorectal cancer is controlled by various factors, including random occurrences and genetic alterations affecting oncogenes and tumor…”
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Molecular structure and vibrational analysis on (E)-1-(3-methyl-2,6-diphenyl piperidin-4-ylidene) semicarbazide by Dhandapani, A., Manivarman, S., Subashchandrabose, S., Saleem, H.

“…[Display omitted] •Structural properties of EMDPS.•TED.•NBO.•ICT Calculations.•Band gap energy. The…”
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Screening and antiscreening in fullerene-like cages: Dipole-field amplification with ionic nanocages by Silvestrelli, Pier Luigi, Subashchandrabose, S., Seif, Abdolvahab, Ambrosetti, Alberto

“…The successful synthesis of endohedral complexes consisting of nanoscale carbon cages that can encapsulate small molecules has been a remarkable accomplishment…”
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FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method by Subashchandrabose, S., Saleem, H., Erdogdu, Y., Rajarajan, G., Thanikachalam, V.

“…[Display omitted] ► Molecular geometry. ► Conformational analysis. ► Vibrational assignment using TED. ► Natural bond orbital analysis (NBO). ► Band gap…”
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Synthesis and spectroscopical study of rhodanine derivative using DFT approaches by Anbarasan, R., Dhandapani, A., Manivarman, S., Subashchandrabose, S., Saleem, H.

“…[Display omitted] •Synthesis of E5BTTO.•Structural conformation.•Vibrational characterization.•Study of NLO property.•Band gap analysis. The optimized…”
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Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane by Subashchandrabose, S., Thanikachalam, V., Manikandan, G., Saleem, H., Erdogdu, Y.

“…Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane (BAMTP) was synthesized and characterized by FT-IR and FT-Raman spectra. Gas phase structure of BAMTP was…”
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Synthesis and structural characterization of (E)-N′-((Pyridin-2-yl)methylene) benzohydrazide by X-ray diffraction, FT-IR, FT-Raman and DFT methods by Ramesh Babu, N., Subashchandrabose, S., Padusha, M. Syed Ali, Saleem, H., Manivannan, V., Erdoğdu, Y.

“…[Display omitted] •Synthesis of (E)-N1-((Pyridin-2-yl) methylene) benzohydrazide (PMBH).•A vibrational analysis by FT-IR, FT-Raman and TED.•The crystal…”
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Structural and vibrational studies on 1-(5-methyl-[1,3,4] thiadiazol-2-yl)-pyrolidin-2-ol by Ramesh Babu, N., Saleem, H., Subashchandrabose, S., Padusha, M. Syed Ali, Bharanidharan, S.

“…[Display omitted] •FT-IR and FT-Raman spectral studies.•Total energy distribution analysis.•Prediction of hyperpolarizability.•Determination of band gap…”
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Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method by Subashchandrabose, S., Krishnan, Akhil R., Saleem, H., Parameswari, R., Sundaraganesan, N., Thanikachalam, V., Manikandan, G.

“…In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO analysis of…”
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Synthesis and spectral characterization of hydrazone derivative of furfural using experimental and DFT methods by Ramesh Babu, N., Subashchandrabose, S., Syed Ali Padusha, M., Saleem, H., Erdoğdu, Y.

“…[Display omitted] •Total energy distribution analysis.•Natural bond orbital analysis.•Non-linear optical behavior hydrazone derivatives.•Band gap…”
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Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method by Krishnan, Akhil R., Saleem, H., Subashchandrabose, S., Sundaraganesan, N., Sebastain, S.

“…In this work, we will report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO and UV spectral analysis of…”
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FT-Raman, FT-IR spectral and DFT studies on ( E)-1-4-nitrobenzylidenethiocarbonohydrazide by Thanikachalam, V., Periyanayagasamy, V., Jayabharathi, J., Manikandan, G., Saleem, H., Subashchandrabose, S., Erdogdu, Y.

“…[Display omitted] ► Molecular geometry. ► Vibrational assignments using TED. ► First order hyperpolarizability ( β 0). ► Natural bond orbital analysis (NBO). ►…”
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Haemostatic effects of latex from Croton sparsiflorus Morang, in vitro, in vivo, in silico approaches by Kamaraj, M.C., Mohan Raj, S., Palani Selvam, D., Subashchandrabose, S., Kalaiselvan, A.

“…[Display omitted] •Crud sample extracted from Traditional plant.•Molecular structure of the target sample was found.•In-vitro and in-vivo blood clotting…”
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FT-IR, FT-Raman spectral and conformational studies on (E)-2-(2-hydroxybenzylidenamino)-3-(1H-indol-3yl) propionic acid by Saleem, H., Subashchandrabose, S., Erdogdu, Y., Thanikachalam, V., Jayabharathi, J.

“…[Display omitted] ► Structural properties of (E)-2HBA3IPA. ► Detailed vibrational assignments using TED. ► Intra-molecular charge transfer calculations. ►…”
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Vibrational spectroscopy investigation and density functional theory calculations on (E)-N′-(4-methoxybenzylidene) benzohydrazide by Saleem, H., Subashchandrabose, S., Ramesh Babu, N., Syed Ali Padusha, M.

“…[Display omitted] •FT-IR and FT-Raman spectral studies.•Total energy distribution analysis.•Prediction of hyperpolarizability.•Determination of band gap…”
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Structural, vibrational and hyperpolarizability calculation of ( E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid by Subashchandrabose, S., Saleem, H., Erdogdu, Y., Dereli, Ö., Thanikachalam, V., Jayabharathi, J.

“…[Display omitted] ► Conformational analysis. ► Vibrational assignment using TED. ► Hyperpolarizability ( β 0). ► Excitation energies ( E 1, E 2, E 3) and band…”
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FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods by Subashchandrabose, S., Krishnan, Akhil R., Saleem, H., Thanikachalam, V., Manikandan, G., Erdogdu, Yusuf

“…A combined experimental and theoretical studies were conducted on the molecular structure and vibrational spectra of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)…”
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Density functional theory studies on 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone by Saleem, H., Krishnan, Akhil R., Erdogdu, Y., Subashchandrabose, S., Thanikachalam, V., Manikandan, G.

“…► Conformation analysis. ► FT-IR and FT-Raman spectral investigations. ► NMR characterization. ► Electronic transition (UV). ► Total energy distribution of…”
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Vibrational and conformational analysis on-N1-N2-bis((pyridine-4-yl)methylene) benzene-1,2-diamine by Subashchandrabose, S., Meganathan, C., Erdoğdu, Y., Saleem, H., Jajkumar, C., Latha, P.

“…•Structural properties of NBPMB.•TED.•NBO analysis.•NLO.•Band gap energy. The molecule N1-N2-bis((pyridine-4-yl)methylene)benzene-1,2-diamine (NBPMB) was…”
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