TY  - JOUR
AU  - Wu, Zhikang
AU  - Dai, Guoyong
AU  - Li, Qi
AU  - Wei, Zheyu
AU  - Ru, Shi
AU  - Li, Jianda
AU  - Jia, Hongli
AU  - Zang, Dejin
AU  - Čolović, Mirjana
AU  - Wei, Yongge
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12920
AB  - The selective oxidative esterification of aldehydes with alcohols to the corresponding esters has been one of the hot spots in scientific research and industrial synthesis. However, the application of precious metal catalytic systems is limited by their complicated synthetic steps and high cost. Thus a highly efficient, green, recyclable selective synthesis method of esters catalyzed by POV(polyoxovanadate)-based molecular catalysts has been developed in this paper. The results show that supramolecular interaction between POV and 1,3-dibenzylimidazolium bromide (Act2Im) can efficiently convert alcohols and aldehydes to the corresponding esters in high yield under much milder conditions. Mechanistic insight is also provided based on the control experiments, single crystal X-ray diffraction and cyclic voltammetry studies.
T2  - Chinese Chemical Letters
T1  - POV-based molecular catalysts for highly efficient esterification of alcohols with aldehydes as acylating agents
IS  - InPress
SP  - 109061
DO  - 10.1016/j.cclet.2023.109061
ER  - 

@article{
author = "Wu, Zhikang and Dai, Guoyong and Li, Qi and Wei, Zheyu and Ru, Shi and Li, Jianda and Jia, Hongli and Zang, Dejin and Čolović, Mirjana and Wei, Yongge",
year = "2023",
abstract = "The selective oxidative esterification of aldehydes with alcohols to the corresponding esters has been one of the hot spots in scientific research and industrial synthesis. However, the application of precious metal catalytic systems is limited by their complicated synthetic steps and high cost. Thus a highly efficient, green, recyclable selective synthesis method of esters catalyzed by POV(polyoxovanadate)-based molecular catalysts has been developed in this paper. The results show that supramolecular interaction between POV and 1,3-dibenzylimidazolium bromide (Act2Im) can efficiently convert alcohols and aldehydes to the corresponding esters in high yield under much milder conditions. Mechanistic insight is also provided based on the control experiments, single crystal X-ray diffraction and cyclic voltammetry studies.",
journal = "Chinese Chemical Letters",
title = "POV-based molecular catalysts for highly efficient esterification of alcohols with aldehydes as acylating agents",
number = "InPress",
pages = "109061",
doi = "10.1016/j.cclet.2023.109061"
}

Wu, Z., Dai, G., Li, Q., Wei, Z., Ru, S., Li, J., Jia, H., Zang, D., Čolović, M.,& Wei, Y.. (2023). POV-based molecular catalysts for highly efficient esterification of alcohols with aldehydes as acylating agents. in Chinese Chemical Letters(InPress), 109061.
https://doi.org/10.1016/j.cclet.2023.109061

Wu Z, Dai G, Li Q, Wei Z, Ru S, Li J, Jia H, Zang D, Čolović M, Wei Y. POV-based molecular catalysts for highly efficient esterification of alcohols with aldehydes as acylating agents. in Chinese Chemical Letters. 2023;(InPress):109061.
doi:10.1016/j.cclet.2023.109061 .

Wu, Zhikang, Dai, Guoyong, Li, Qi, Wei, Zheyu, Ru, Shi, Li, Jianda, Jia, Hongli, Zang, Dejin, Čolović, Mirjana, Wei, Yongge, "POV-based molecular catalysts for highly efficient esterification of alcohols with aldehydes as acylating agents" in Chinese Chemical Letters, no. InPress (2023):109061,
https://doi.org/10.1016/j.cclet.2023.109061 . .

TY  - JOUR
AU  - Bošnjaković-Pavlović, Nada
AU  - Xu, Xiao
AU  - Krstić, Danijela Z.
AU  - Gillet, Jean-Michel
AU  - Wei, Yongge
AU  - Wu, Pingfan
AU  - Čolović, Mirjana B.
AU  - Spasojević-de Bire, Anne
PY  - 2019
UR  - https://linkinghub.elsevier.com/retrieve/pii/S0162013418306998
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8355
AB  - The influence of three functionalized hexavanadates (V6): Na2 [V6O13{(OCH2)3CCH3}2], [H2]2 [V6O13{(OCH2)3CCH2OCOCH2CH3}2] and [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2 on Na+/K+-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27–36), all functionalized hexavanadates inhibit the activity of Na+/K+-ATPase in a dose-dependent manner but with different inhibitory potencies. Na2 [V6O13{(OCH2)3CCH3}2] was found to have the best inhibition properties - showing 50% inhibition IC50 = 5.50 × 10−5 M, while [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2] showed the lowest inhibitory power, IC50 = 1.31 × 10−4 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface. © 2019
T2  - Journal of Inorganic Biochemistry
T1  - Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays
VL  - 198
SP  - 110720
DO  - 10.1016/j.jinorgbio.2019.110720
ER  - 

@article{
author = "Bošnjaković-Pavlović, Nada and Xu, Xiao and Krstić, Danijela Z. and Gillet, Jean-Michel and Wei, Yongge and Wu, Pingfan and Čolović, Mirjana B. and Spasojević-de Bire, Anne",
year = "2019",
abstract = "The influence of three functionalized hexavanadates (V6): Na2 [V6O13{(OCH2)3CCH3}2], [H2]2 [V6O13{(OCH2)3CCH2OCOCH2CH3}2] and [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2 on Na+/K+-ATPase activity, was investigated in vitro. Including compounds already tested by Xu et al. (Journal of Inorganic Biochemistry 161 (2016) 27–36), all functionalized hexavanadates inhibit the activity of Na+/K+-ATPase in a dose-dependent manner but with different inhibitory potencies. Na2 [V6O13{(OCH2)3CCH3}2] was found to have the best inhibition properties - showing 50% inhibition IC50 = 5.50 × 10−5 M, while [(C4H9)4N]2 [V6O13{(OCH2)3CCH2OOC(CH3)2-COOH}2] showed the lowest inhibitory power, IC50 = 1.31 × 10−4 M. In order to understand the bioactivity of functionalized hexavanadates series, we have also used a combined theoretical approach: determination of electrostatic potential from ab initio theoretical calculations and computation of the molecular interaction field (MIF) surface. © 2019",
journal = "Journal of Inorganic Biochemistry",
title = "Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays",
volume = "198",
pages = "110720",
doi = "10.1016/j.jinorgbio.2019.110720"
}

Bošnjaković-Pavlović, N., Xu, X., Krstić, D. Z., Gillet, J., Wei, Y., Wu, P., Čolović, M. B.,& Spasojević-de Bire, A.. (2019). Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays. in Journal of Inorganic Biochemistry, 198, 110720.
https://doi.org/10.1016/j.jinorgbio.2019.110720

Bošnjaković-Pavlović N, Xu X, Krstić DZ, Gillet J, Wei Y, Wu P, Čolović MB, Spasojević-de Bire A. Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays. in Journal of Inorganic Biochemistry. 2019;198:110720.
doi:10.1016/j.jinorgbio.2019.110720 .

Bošnjaković-Pavlović, Nada, Xu, Xiao, Krstić, Danijela Z., Gillet, Jean-Michel, Wei, Yongge, Wu, Pingfan, Čolović, Mirjana B., Spasojević-de Bire, Anne, "Experimental and theoretical insights of functionalized hexavanadates on Na+/K+-ATPase activity; molecular interaction field, ab initio calculations and in vitro assays" in Journal of Inorganic Biochemistry, 198 (2019):110720,
https://doi.org/10.1016/j.jinorgbio.2019.110720 . .

TY  - JOUR
AU  - Xu, Xiao
AU  - Spasojević-de Bire, Anne
AU  - Ghermani, Nour Eddine
AU  - Wei, Yongge
AU  - Novaković, Slađana B.
AU  - Bošnjaković-Pavlović, Nada
AU  - Wu, Pingfan
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1649
AB  - A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.
T2  - Physical Chemistry Chemical Physics
T1  - Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study
VL  - 19
IS  - 28
SP  - 18162
EP  - 18166
DO  - 10.1039/c7cp01840a
ER  - 

@article{
author = "Xu, Xiao and Spasojević-de Bire, Anne and Ghermani, Nour Eddine and Wei, Yongge and Novaković, Slađana B. and Bošnjaković-Pavlović, Nada and Wu, Pingfan",
year = "2017",
abstract = "A high resolution X-ray diffraction study has been carried out on [(C4H9)(4)N](2) [V6O13{(OCH2)(3)CCH2OCCH2CH3}(2)] (V6-C3) at 100 K. The V6 core possesses a negative charge, leading to a strong polarization of the anion. A nucleophilic region localized near the organic moiety and an electrophilic region in the vicinity of the V6 core provide an overall description of charge-transfer behavior.",
journal = "Physical Chemistry Chemical Physics",
title = "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study",
volume = "19",
number = "28",
pages = "18162-18166",
doi = "10.1039/c7cp01840a"
}

Xu, X., Spasojević-de Bire, A., Ghermani, N. E., Wei, Y., Novaković, S. B., Bošnjaković-Pavlović, N.,& Wu, P.. (2017). Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics, 19(28), 18162-18166.
https://doi.org/10.1039/c7cp01840a

Xu X, Spasojević-de Bire A, Ghermani NE, Wei Y, Novaković SB, Bošnjaković-Pavlović N, Wu P. Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study. in Physical Chemistry Chemical Physics. 2017;19(28):18162-18166.
doi:10.1039/c7cp01840a .

Xu, Xiao, Spasojević-de Bire, Anne, Ghermani, Nour Eddine, Wei, Yongge, Novaković, Slađana B., Bošnjaković-Pavlović, Nada, Wu, Pingfan, "Experimental evidence of charge transfer in a functionalized hexavanadate: a high resolution X-ray diffraction study" in Physical Chemistry Chemical Physics, 19, no. 28 (2017):18162-18166,
https://doi.org/10.1039/c7cp01840a . .

TY  - JOUR
AU  - Xu, Xiao
AU  - Bošnjaković-Pavlović, Nada
AU  - Čolović, Mirjana B.
AU  - Krstić, Danijela Z.
AU  - Vasić, Vesna M.
AU  - Gillet, Jean-Michel
AU  - Wu, Pingfan
AU  - Wei, Yongge
AU  - Spasojević-de Bire, Anne
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1158
AB  - In vitro influence of five synthesized functionalized hexavanadates (V-6) on commercial porcine cerebral cortex Na+/K+-ATPase activity has been studied. Dose dependent Na+/K+-ATPase inhibition was obtained for all investigated compounds. Calculated half maximal inhibitory concentration IC50 values, in mol/L, for Na+/K+-ATPase were 7.6 x 10(-5), 1.8 x 10(-5), 2.9 x 10(-5), 5.5 x 10(-5) for functionalized hexavanadates (V-6) with tetrabutylammonium (TBA) [V-6-CH3][TBA](2), [V-6-NO2][TBA](2), [V-6-OH][TBA](2) and [V-6-C-3][TBA](2) respectively. [V-6-OH][Na](2) inhibited Na+/K+-ATPase activity up to 30% at maximal investigated concentration 1 x 10(-3) mol/L. This reactivity has been interpreted using a study of the non-covalent interactions of functionalized hexavanadate hybrids through Cambridge Structural Database (CSD) analysis. Bibliographic searching has led to 18 different structures and 99 contacts. We have observed that C-H center dot center dot center dot O contacts consolidate the structures. We have also performed density functional theory (DFT) calculations and have determined electrostatic potential values at the molecular surface on a series of functionalized V-6. These results enlightened their chemical reactivity and their potential biological applications such as the inhibition of the ATPase. (C) 2016 Elsevier Inc. All rights reserved.
T2  - Journal of Inorganic Biochemistry
T1  - A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase
VL  - 161
SP  - 27
EP  - 36
DO  - 10.1016/j.jinorgbio.2016.04.029
ER  - 

@article{
author = "Xu, Xiao and Bošnjaković-Pavlović, Nada and Čolović, Mirjana B. and Krstić, Danijela Z. and Vasić, Vesna M. and Gillet, Jean-Michel and Wu, Pingfan and Wei, Yongge and Spasojević-de Bire, Anne",
year = "2016",
abstract = "In vitro influence of five synthesized functionalized hexavanadates (V-6) on commercial porcine cerebral cortex Na+/K+-ATPase activity has been studied. Dose dependent Na+/K+-ATPase inhibition was obtained for all investigated compounds. Calculated half maximal inhibitory concentration IC50 values, in mol/L, for Na+/K+-ATPase were 7.6 x 10(-5), 1.8 x 10(-5), 2.9 x 10(-5), 5.5 x 10(-5) for functionalized hexavanadates (V-6) with tetrabutylammonium (TBA) [V-6-CH3][TBA](2), [V-6-NO2][TBA](2), [V-6-OH][TBA](2) and [V-6-C-3][TBA](2) respectively. [V-6-OH][Na](2) inhibited Na+/K+-ATPase activity up to 30% at maximal investigated concentration 1 x 10(-3) mol/L. This reactivity has been interpreted using a study of the non-covalent interactions of functionalized hexavanadate hybrids through Cambridge Structural Database (CSD) analysis. Bibliographic searching has led to 18 different structures and 99 contacts. We have observed that C-H center dot center dot center dot O contacts consolidate the structures. We have also performed density functional theory (DFT) calculations and have determined electrostatic potential values at the molecular surface on a series of functionalized V-6. These results enlightened their chemical reactivity and their potential biological applications such as the inhibition of the ATPase. (C) 2016 Elsevier Inc. All rights reserved.",
journal = "Journal of Inorganic Biochemistry",
title = "A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase",
volume = "161",
pages = "27-36",
doi = "10.1016/j.jinorgbio.2016.04.029"
}

Xu, X., Bošnjaković-Pavlović, N., Čolović, M. B., Krstić, D. Z., Vasić, V. M., Gillet, J., Wu, P., Wei, Y.,& Spasojević-de Bire, A.. (2016). A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase. in Journal of Inorganic Biochemistry, 161, 27-36.
https://doi.org/10.1016/j.jinorgbio.2016.04.029

Xu X, Bošnjaković-Pavlović N, Čolović MB, Krstić DZ, Vasić VM, Gillet J, Wu P, Wei Y, Spasojević-de Bire A. A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase. in Journal of Inorganic Biochemistry. 2016;161:27-36.
doi:10.1016/j.jinorgbio.2016.04.029 .

Xu, Xiao, Bošnjaković-Pavlović, Nada, Čolović, Mirjana B., Krstić, Danijela Z., Vasić, Vesna M., Gillet, Jean-Michel, Wu, Pingfan, Wei, Yongge, Spasojević-de Bire, Anne, "A combined crystallographic analysis and ab initio calculations to interpret the reactivity of functionalized hexavanadates and their inhibitor potency toward Na+/K+-ATPase" in Journal of Inorganic Biochemistry, 161 (2016):27-36,
https://doi.org/10.1016/j.jinorgbio.2016.04.029 . .