Nurcan Tüzün

2025

Colorimetric and fluorimetric sensing of trace amount of Hg²⁺ in real samples by a new rhodamine B-based Schiff base probe: Smartphone, living cell applications and DFT calculation

Ejder, N., Karaoglu, K., Levent, Z., Alcay, Y., Ozdemir, E., Yavuz, O., Kaya, K., Kopar, M., Tuzun, N. Ş. & Yilmaz, I., 5 Şub 2025, In: Journal of Molecular Structure. 1321, 139687.

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2023

A methionine biomolecule-modified chromenylium-cyanine fluorescent probe for the analysis of Hg²⁺ in the environment and living cells

Alcay, Y., Ozdemir, E., Yildirim, M. S., Ertugral, U., Yavuz, O., Aribuga, H., Ozkilic, Y., Şenyurt Tuzun, N., Ozdabak Sert, A. B., Kok, F. N. & Yilmaz, I., 1 Tem 2023, In: Talanta. 259, 124471.

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10 Atıf (Scopus)

A new Fe³⁺-selective, sensitive, and dual-channel turn-on probe based on rhodamine carrying thiophenecarboxaldehyde: Smartphone application and imaging in living cells

Aribuga, H., Ertugral, U., Alcay, Y., Yavuz, O., Yildirim, M. S., Ozdemir, E., Kaya, K., Sert, A. B. O., Kok, F. N., Tuzun, N. Ş. & Yilmaz, I., 15 Şub 2023, In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 287, 122060.

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14 Atıf (Scopus)

A new highly Selective, sensitive and NIR spectrophotometric probe based on A₂B₂-Type of unsymmetrical phthalocyanine for hazardous Be²⁺ recognition

Yavuz, O., Sezen, M., Alcay, Y., Semih Yildirim, M., Aribuga, H., Ozdemir, E., Ertugral, U., Ozkilic, Y., Şenyurt Tuzun, N. & Yilmaz, I., 5 Oca 2023, In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 284, 121484.

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4 Atıf (Scopus)

Furan and Thiophene Based Cycloheterophane Esters and Thioesters: Synthesis, Antimicrobial Activities, and DFT Calculations

Özcan, H., Deliorman, A., Zaim, Ö. & Tüzün, N., 20 Tem 2023, In: ChemistrySelect. 8, 27, e202302095.

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2 Atıf (Scopus)

2021

A new perspective on the beryllium sensor platform: Low symmetry phthalocyanine-based molecular design and ultra trace amount Be²⁺ ion recognition in aqueous media

Yavuz, O., Sezen, M., Alcay, Y., Yildirim, M. S., Kaya, K., Ozkilic, Y., Tuzun, N. Ş. & Yilmaz, I., 15 Şub 2021, In: Sensors and Actuators, B: Chemical. 329, 129002.

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14 Atıf (Scopus)

Computational Survey of Recent Experimental Developments in the Hydroxylation Mechanism of Kynurenine 3-Monooxygenase

Özkılıç, Y. & Tüzün, N. Ş., 4 Kas 2021, In: Journal of Physical Chemistry A. 125, 43, p. 9459-9477 19 p.

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4 Atıf (Scopus)

Non-peripherally substituted metallophthalocyanines catalyzed diastereoselective carbonyl-ylide reactions: Synthesis and DFT calculations

Gungor, F. S., Sesalan, B. S., Tuzun, N. S., Ozkilic, Y. & Anac, O., 29 Oca 2021, In: Tetrahedron. 80, 131892.

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Regioselectivity Patterns in Radical Cyclization of Diosphenol Derivatives with Different Ring Size: A Combined Experimental and DFT Study

Boz, E., Özcan, H., Zaim, Ö. & Tüzün, N., 24 Şub 2021, In: ChemistrySelect. 6, 8, p. 1748-1755 8 p.

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2020

In silico methods predict new blood-brain barrier permeable structure for the inhibition of kynurenine 3-monooxygenase

Özkılıç, Y. & Tüzün, N. Ş., Kas 2020, In: Journal of Molecular Graphics and Modelling. 100, 107701.

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2 Atıf (Scopus)

2019

Amberlyst-15-catalyzed Procedure for the Synthesis of Novel 2,4-Dihydroxybenzoyl-1,2,3-triazoles and Molecular Modelling Studies for Hsp-90 Inhibition

Gunduz, H., Kumbaraci, V., Özkılıç, Y., Tüzün, N. & Talinli, N., 28 Haz 2019, In: ChemistrySelect. 4, 24, p. 7278-7283 6 p.

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2 Atıf (Scopus)

Mechanism of Kynurenine 3-Monooxygenase-Catalyzed Hydroxylation Reaction: A Quantum Cluster Approach

Özklllç, Y. & Tüzün, N., 11 Nis 2019, In: Journal of Physical Chemistry A. 123, 14, p. 3149-3159 11 p.

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16 Atıf (Scopus)

Superior Sensor for Be ²⁺ Ion Recognition via the Unprecedented Octahedral Crystal Structure of a One-Dimensional Coordination Polymer of Crown Fused Zinc Phthalocyanine

Yavuz, O., Alcay, Y., Kaya, K., Sezen, M., Kirlangic Atasen, S., Yildirim, M. S., Ozkilic, Y., Tuzun, N. Ş. & Yilmaz, I., 7 Oca 2019, In: Inorganic Chemistry. 58, 1, p. 909-923 15 p.

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21 Atıf (Scopus)

2018

Computational investigation of the control of the thermodynamics and microkinetics of the reductive amination reaction by solvent coordination and a co-catalyst

Boz, E., Tüzün, N. & Stein, M., 2018, In: RSC Advances. 8, 64, p. 36662-36674 13 p.

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Açık erişim

10 Atıf (Scopus)

New ferrocenyl naphthoquinone fused crown ether chemosensors: Highly selective, kinetically and regio controlled colorimetric, beryllium ion recognition

Alcay, Y., Yavuz, O., Gelir, A., Atasen, S. K., Karaoglu, K., Yucel, B., Tuzun, N. Ş. & Yilmaz, I., 1 Ağu 2018, In: Journal of Organometallic Chemistry. 868, p. 131-143 13 p.

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17 Atıf (Scopus)

2017

A DFT study on the mechanism of Rh-catalyzed competitive 1,2- versus 1,3-acyloxy migration followed by [5+1] and [4+1] cycloadditions of 1,4-enynes with CO

Coskun, D. & Tüzün, N., 2017, In: Journal of Organometallic Chemistry. 851, p. 97-103 7 p.

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8 Atıf (Scopus)

In silico design of novel hERG-neutral sildenafil-like PDE5 inhibitors

Kayık, G., Tüzün, N. & Durdagi, S., 3 Eki 2017, In: Journal of Biomolecular Structure and Dynamics. 35, 13, p. 2830-2852 23 p.

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1 Atıf (Scopus)

Investigation of PDE5/PDE6 and PDE5/PDE11 selective potent tadalafil-like PDE5 inhibitors using combination of molecular modeling approaches, molecular fingerprint-based virtual screening protocols and structure-based pharmacophore development

Kayık, G., Tüzün, N. & Durdagi, S., 1 Oca 2017, In: Journal of Enzyme Inhibition and Medicinal Chemistry. 32, 1, p. 311-330 20 p.

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Açık erişim

30 Atıf (Scopus)

Mechanism of CuAAC reaction: In acetic acid and aprotic conditions

Özen, C. & Tüzün, N. Ş., 1 Oca 2017, In: Journal of Molecular Catalysis A: Chemical. 426, p. 150-157 8 p.

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11 Atıf (Scopus)

Structural investigation of vesnarinone at the pore domains of open and open-inactivated states of hERG1 K⁺ channel

Kayık, G., Tüzün, N. & Durdagi, S., Eki 2017, In: Journal of Molecular Graphics and Modelling. 77, p. 399-412 14 p.

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5 Atıf (Scopus)

2016

A DFT Study on the Binuclear CuAAC Reaction: Mechanism in Light of New Experiments

Özklllç, Y. & Tüzün, N. S., 22 Ağu 2016, In: Organometallics. 35, 16, p. 2589-2599 11 p.

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51 Atıf (Scopus)

Ag-catalyzed azide alkyne cycloaddition: A DFT approach

Boz, E. & Tüzün, N., 2016, In: Dalton Transactions. 45, 13, p. 5752-5764 13 p.

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22 Atıf (Scopus)

2015

A quantum mechanical study on the propagation kinetics of N-methylacrylamide: Comparison with N,N-dimethylacrylamide in free radical polymerization

Kayik, G. & Tüzün, N. S., 1 May 2015, In: Macromolecular Theory and Simulations. 24, 3, p. 218-231 14 p.

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2 Atıf (Scopus)

Synthesis, reactions and DFT study of tropolone N,N-dimethylthiocarbamate

Zaim, Ö., Tüzün, N., Çevik, B., Özcan, H. & Boz, E., 11 Tem 2015, In: Tetrahedron. 71, 33, p. 5391-5398 8 p.

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4 Atıf (Scopus)

2014

A Theoretical study on Rh(I) catalyzed enantioselective conjugate addition reactions of fluoroalkylated olefins

Boz, E., Haşlak, Z. P., Tüzün, N. S. & Konuklar, F. A. S., 13 Eki 2014, In: Organometallics. 33, 19, p. 5111-5119 9 p.

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8 Atıf (Scopus)

Stereoselective propagation in free radical polymerization of acrylamides: A DFT study

Kayik, G. & Tüzün, N. Ş., Nis 2014, In: Journal of Molecular Graphics and Modelling. 49, p. 55-67 13 p.

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9 Atıf (Scopus)

Synthesis and characterization of solution processable 6,11-dialkynyl substituted indeno[1,2-b]anthracenes

Yucel, B., Meral, K., Ekinci, D., Uzunoǧlu, G. Y., Tüzün, N. Ş., Özbey, S., Kazak, C., Ozdemir, Y., Sanli, B., Kayik, G. & Daǧdeviren, M., 2014, In: Dyes and Pigments. 100, 1, p. 104-117 14 p.

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8 Atıf (Scopus)

2013

Prediction of the ¹H NMR spectra of epoxy-fused cyclopentane derivatives by calculations of chemical shifts and spin-spin coupling constants

Özen, C., Yildirim, A., Tüzün, N. Ş., Haslak, P., Doǧan, E., Acar, E. & Aviyente, V., 31 Eki 2013, In: Molecular Physics. 111, 20, p. 3147-3155 9 p.

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4 Atıf (Scopus)

Reaction mechanism of ruthenium-catalyzed azide-alkyne cycloaddition reaction: A DFT study

Boz, E. & Tüzün, N. Ş., 15 Oca 2013, In: Journal of Organometallic Chemistry. 724, p. 167-176 10 p.

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37 Atıf (Scopus)

2012

The mechanism of copper-catalyzed azide-alkyne cycloaddition reaction: A quantum mechanical investigation

Özen, C. & Tüzün, N. Ş., Nis 2012, In: Journal of Molecular Graphics and Modelling. 34, p. 101-107 7 p.

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21 Atıf (Scopus)

2011

A QSPR study on the physical properties of substituted polypyrroles and poly(paraphenylenes)

Yildirim, E., Aksoy, D., Tuzun, N. S. & Yurtsever, M., 1 Oca 2011, In: Designed Monomers and Polymers. 14, 1, p. 79-93 15 p.

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Açık erişim

2009

Cyclopolymerization reactions of diallyl monomers: Exploring electronic and steric effects using DFT reactivity indices

Uǧur, I., De Vleeschouwer, F., Tüzün, N., Aviyente, V., Geerlings, P., Liu, S., Ayers, P. W. & De Proft, F., 30 Tem 2009, In: Journal of Physical Chemistry A. 113, 30, p. 8704-8711 8 p.

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32 Atıf (Scopus)

Mechanistic study on [3+2] cycloaddition and cyclopropanation reactions of 1,3-dioxepine derivatives in the presence of copper (I) catalyst

Özen, C., Konuklar, F. A. S. & Tuzun, N. S., 14 Eyl 2009, In: Organometallics. 28, 17, p. 4964-4973 10 p.

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10 Atıf (Scopus)

2008

A DFT study on the mechanism of cyclopropanation via Cu(acac) ₂-catalyzed diazo ester decomposition

Özen, C. & Tüzün, N. Ş., 22 Eyl 2008, In: Organometallics. 27, 18, p. 4600-4610 11 p.

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24 Atıf (Scopus)

An experimental and quantum mechanical study on electrochemical properties of N-substituted pyrroles

Tuzun, N. S., Bayata, F. & Sarac, A. S., 30 May 2008, In: Journal of Molecular Structure: THEOCHEM. 857, 1-3, p. 95-104 10 p.

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12 Atıf (Scopus)

2007

Modeling the cyclopolymerization of diallyl ether and methyl α-[(allyloxy) methyl]acrylate

Tüzün, N. Ş. & Aviyente, V., 15 Mar 2007, In: International Journal of Quantum Chemistry. 107, 4, p. 894-906 13 p.

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9 Atıf (Scopus)

2005

Modeling the effect of substitution on the Pb(OAc)₄ mediated oxidative cleavage of steroidal 1,2-diols

Öztürk, C., Topal, K., Aviyente, V., Tüzün, N. Ş., Sánchez Fernández, E. & Arseniyadis, S., 2 Eyl 2005, In: Journal of Organic Chemistry. 70, 18, p. 7080-7086 7 p.

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15 Atıf (Scopus)

Modeling the free radical polymerization of acrylates

Günaydin, H., Salman, S., Tüzün, N. Ş., Avci, D. & Aviyente, V., 20 May 2005, In: International Journal of Quantum Chemistry. 103, 2, p. 176-189 14 p.

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29 Atıf (Scopus)

2003

A theoretical study on the mechanism of the cyclopolymerization of diallyl monomers

Tuzun, N. S., Aviyente, V. & Houk, K. N., 8 Ağu 2003, In: Journal of Organic Chemistry. 68, 16, p. 6369-6374 6 p.

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18 Atıf (Scopus)

Spirodiporphyrins - As binuclear metal complexes

Vogel, E., Michels, M., Zander, L., Lex, J., Tuzun, N. S. & Houk, K. N., 30 Haz 2003, In: Angewandte Chemie - International Edition. 42, 25, p. 2857-2862 6 p.

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78 Atıf (Scopus)

2002

A computational study on the substituent effect of diallylamine monomers in their cyclopolymerization reactions

Tüzün, N. S. & Aviyente, V., 5 Eyl 2002, In: Journal of Physical Chemistry A. 106, 35, p. 8184-8190 7 p.

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15 Atıf (Scopus)

Theoretical study of factors controlling rates of cyclization of radical intermediates from diallylamine and diallylammonium monomers in radical polymerizations

Tüzün, N. S., Aviyente, V. & Houk, K. N., 26 Tem 2002, In: Journal of Organic Chemistry. 67, 15, p. 5068-5075 8 p.

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22 Atıf (Scopus)

2001

A computational approach to the polymerizabilities of diallylamines

Şenyurt Tüzün, N., Aviyente, V., Avc, D. & Ince, N., 2001, In: Journal of Molecular Modeling. 7, 7, p. 257-264 8 p.

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11 Atıf (Scopus)

2000

A computational study of the conformational equilibria of α-phenoxy, α-phenylthio, α-phenylseleno substituted cyclohexanones

Duran, D., Senyurt, N. & Aviyente, V., 2000, In: Journal of Chemical Research - Part S. 9, p. 411 1 p.

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1998

Computational study of the anomeric effect in 2-[(4-substituted phenyl)seleno]-1,3-dithianes

Şenyurt, N. & Aviyente, V., 1998, In: Journal of the Chemical Society. Perkin Transactions 2. 6, p. 1463-1470 8 p.

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3 Atıf (Scopus)

1997

Computational study of the anomeric effect in 2-[(4-substituted phenyl)seleno]-1,3-dithianes

Şenyurt, N. & Aviyente, V., 1997, In: Journal of the Chemical Society. Perkin Transactions 2. 7, p. 1463-1470 8 p.

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Nurcan Tüzün

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