A simple quinoline-thiophene Schiff base turn-off chemosensor for Hg2+ detection
- Musikavanhu, Brian, Muthusamy, Selvaraj, Zhu, Dongwei, Xue, Zhaoli, Yu, Qian, Chivumba, Choonzo N, Mack, John, Nyokong, Tebello, Wang, Shengjun, Zhao, Long
- Authors: Musikavanhu, Brian , Muthusamy, Selvaraj , Zhu, Dongwei , Xue, Zhaoli , Yu, Qian , Chivumba, Choonzo N , Mack, John , Nyokong, Tebello , Wang, Shengjun , Zhao, Long
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/230362 , vital:49771 , xlink:href="https://doi.org/10.1016/j.saa.2021.120338"
- Description: A new Schiff base probe (QT) consisting of 8-aminoquinoline (Q) and thiophene-2-carboxaldehyde (T) moieties has been synthesized. QT undergoes chelation-enhanced fluorescence quenching when exposed to Hg2+ due to coordination by the sulfur and nitrogen atoms of QT thus forming a facile “turn-off” sensor. The formation of the chelation complex was confirmed by UV–visible absorption and emission spectral measurements, 1H NMR titration and density functional theory calculations. These studies revealed that the probe exhibits high selectivity and sensitivity towards Hg2+ in the presence of other common metal ions. A low detection limit of 23.4 nM was determined and a Job plot confirmed a 2:1 stoichiometry between QT and Hg2+. The potential utility of QT as a sensor for Hg2+ ions in human HeLa cells was determined by confocal fluorescence microscopy, and its suitability for use in the field with environmental samples was tested with Whatman filter paper strips.
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- Authors: Musikavanhu, Brian , Muthusamy, Selvaraj , Zhu, Dongwei , Xue, Zhaoli , Yu, Qian , Chivumba, Choonzo N , Mack, John , Nyokong, Tebello , Wang, Shengjun , Zhao, Long
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/230362 , vital:49771 , xlink:href="https://doi.org/10.1016/j.saa.2021.120338"
- Description: A new Schiff base probe (QT) consisting of 8-aminoquinoline (Q) and thiophene-2-carboxaldehyde (T) moieties has been synthesized. QT undergoes chelation-enhanced fluorescence quenching when exposed to Hg2+ due to coordination by the sulfur and nitrogen atoms of QT thus forming a facile “turn-off” sensor. The formation of the chelation complex was confirmed by UV–visible absorption and emission spectral measurements, 1H NMR titration and density functional theory calculations. These studies revealed that the probe exhibits high selectivity and sensitivity towards Hg2+ in the presence of other common metal ions. A low detection limit of 23.4 nM was determined and a Job plot confirmed a 2:1 stoichiometry between QT and Hg2+. The potential utility of QT as a sensor for Hg2+ ions in human HeLa cells was determined by confocal fluorescence microscopy, and its suitability for use in the field with environmental samples was tested with Whatman filter paper strips.
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A Sn (iv) porphyrin with mitochondria targeting properties for enhanced photodynamic activity against MCF-7 cells
- Babu, Balaji, Mack, John, Nyokong, Tebello
- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/230897 , vital:49829 , xlink:href="https://doi.org/10.1039/D2NJ00350C"
- Description: Two readily synthesized Sn(IV) porphyrins (SnP, SnPH) have been prepared with and without the cationic triphenylphosphonium moiety (TPP+), which have high singlet oxygen quantum yields (ca. 0.72) and long triplet state lifetimes. The Sn(IV) porphyrin with a TPP+ moiety (SnPH) exhibits favorable photodynamic activity against MCF-7 cells with IC50 values of 2.9 μM. SnPH exhibits higher cellular uptake than SnP in MCF-7 cells. A Rhodamine 123 (Rh123) assay showed that SnPH targets mitochondria and induces apoptosis by generating reactive oxygen species. The results demonstrate that this structural modification strategy merits further in-depth study.
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- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/230897 , vital:49829 , xlink:href="https://doi.org/10.1039/D2NJ00350C"
- Description: Two readily synthesized Sn(IV) porphyrins (SnP, SnPH) have been prepared with and without the cationic triphenylphosphonium moiety (TPP+), which have high singlet oxygen quantum yields (ca. 0.72) and long triplet state lifetimes. The Sn(IV) porphyrin with a TPP+ moiety (SnPH) exhibits favorable photodynamic activity against MCF-7 cells with IC50 values of 2.9 μM. SnPH exhibits higher cellular uptake than SnP in MCF-7 cells. A Rhodamine 123 (Rh123) assay showed that SnPH targets mitochondria and induces apoptosis by generating reactive oxygen species. The results demonstrate that this structural modification strategy merits further in-depth study.
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Ga III triarylcorroles with push–pull substitutions
- Niu, Yingjie, Wang, Lin, Guo, Yingxin, Zhu, Weihua, Soy, Rodah C, Babu, Balaji, Mack, John, Nyokong, Tebello, Xu, Haijun, Liang, Xu
- Authors: Niu, Yingjie , Wang, Lin , Guo, Yingxin , Zhu, Weihua , Soy, Rodah C , Babu, Balaji , Mack, John , Nyokong, Tebello , Xu, Haijun , Liang, Xu
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300079 , vital:57890 , xlink:href="https://doi.org/10.1039/D2DT01262F"
- Description: Two A2B type H3corroles and two GaIIItriarylcorroles with carbazole substitutions at 10-positions were synthesized and characterized. An analysis of structure–property relationships of the corroles has been carried out by investigating the optical spectroscopy of the dyes to trends predicted in DFT and TD-DFT calculations. Interestingly, the photodynamic therapy (PDT) and photodynamic antimicrobial chemotherapy (PACT) activity properties of the GaIIItriarylcorroles were determined against the MCF-7 breast cancer line, and Staphyloccocus aureus (S. aureus) and Escherichia coli (E. coli), respectively. The cationic G-2Q species exhibited the most favorable properties with an IC50 value of 7.8 μM against MCF-7 cells, and Log reduction values of 7.78 and 3.26 against planktonic S. aureus and E. coli at 0.5 and 10 μM, respectively.
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- Authors: Niu, Yingjie , Wang, Lin , Guo, Yingxin , Zhu, Weihua , Soy, Rodah C , Babu, Balaji , Mack, John , Nyokong, Tebello , Xu, Haijun , Liang, Xu
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300079 , vital:57890 , xlink:href="https://doi.org/10.1039/D2DT01262F"
- Description: Two A2B type H3corroles and two GaIIItriarylcorroles with carbazole substitutions at 10-positions were synthesized and characterized. An analysis of structure–property relationships of the corroles has been carried out by investigating the optical spectroscopy of the dyes to trends predicted in DFT and TD-DFT calculations. Interestingly, the photodynamic therapy (PDT) and photodynamic antimicrobial chemotherapy (PACT) activity properties of the GaIIItriarylcorroles were determined against the MCF-7 breast cancer line, and Staphyloccocus aureus (S. aureus) and Escherichia coli (E. coli), respectively. The cationic G-2Q species exhibited the most favorable properties with an IC50 value of 7.8 μM against MCF-7 cells, and Log reduction values of 7.78 and 3.26 against planktonic S. aureus and E. coli at 0.5 and 10 μM, respectively.
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Indium phthalocyanines
- Pinar, Sen, Mack, John, Nyokong, Tebello
- Authors: Pinar, Sen , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/229998 , vital:49731 , xlink:href="https://doi.org/10.1016/j.molstruc.2021.131850"
- Description: In this study, the photodynamic antimicrobial activities of a series of new tetra-substituted indium phthalocyanine (InPc) complexes are assessed. An aldehyde substituted complex (2) was initially prepared, which was converted through a condensatioreaction to an imine-pyrrolidine substituted complex (3), which in turn was quaternized to form a tetracationic species (4). Favorable photophysicochemical properties were obtained by incorporating a heavy In(III) ion into the central cavity. Aggregation studies revealed that 2–4 remain non-aggregated in DMSO at concentration below 25 µM. The photodeactivation of S.aureus and E.coli was studied. Log reduction values > 9.0 were obtained for cationic InPc 4 after 30 min of incubation and exposure to light for 75 min.
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- Authors: Pinar, Sen , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/229998 , vital:49731 , xlink:href="https://doi.org/10.1016/j.molstruc.2021.131850"
- Description: In this study, the photodynamic antimicrobial activities of a series of new tetra-substituted indium phthalocyanine (InPc) complexes are assessed. An aldehyde substituted complex (2) was initially prepared, which was converted through a condensatioreaction to an imine-pyrrolidine substituted complex (3), which in turn was quaternized to form a tetracationic species (4). Favorable photophysicochemical properties were obtained by incorporating a heavy In(III) ion into the central cavity. Aggregation studies revealed that 2–4 remain non-aggregated in DMSO at concentration below 25 µM. The photodeactivation of S.aureus and E.coli was studied. Log reduction values > 9.0 were obtained for cationic InPc 4 after 30 min of incubation and exposure to light for 75 min.
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Integrated photocatalyst adsorbents based on porphyrin anchored to activated carbon granules for water treatment
- Oyim, James, Amuhaya, Edith K, Matshitse, Refilwe, Mack, John, Nyokong, Tebello
- Authors: Oyim, James , Amuhaya, Edith K , Matshitse, Refilwe , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300101 , vital:57893 , xlink:href="https://doi.org/10.1016/j.cartre.2022.100191"
- Description: Integration of adsorption and photocatalysis processes can lead to several benefits in water treatment. Integrating well-known adsorbents with photocatalysts ensures that all the interesting components are preserved and helps to overcome the serious downsides of each material and technique when operated independently. In this work, we introduce a new concept of combining both absorption and photodegradation mechanisms using organic photocatalytic adsorbents for water purification. This was achieved by formulating photosensitizing hybrids based on a newly synthesized chloroindium (III) 5,10,15,20-tetrakis(4-acetamidophenyl) porphyrin (InTAAP) compound, anchored on oxygen functionalized coconut shell-based activated carbon granules supports. The fashioned integrated photocatalyst adsorbent hybrid (InTAAP(ACO)) was then studied for their adsorption and photodegradation efficiency using methylene blue dye, where InTAAP(ACO) showed excellent photocatalytic activity compared to ACO and unfunctionalized activated carbon granules (AC), with appreciably high and adsorption properties as AC and ACO.
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- Authors: Oyim, James , Amuhaya, Edith K , Matshitse, Refilwe , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300101 , vital:57893 , xlink:href="https://doi.org/10.1016/j.cartre.2022.100191"
- Description: Integration of adsorption and photocatalysis processes can lead to several benefits in water treatment. Integrating well-known adsorbents with photocatalysts ensures that all the interesting components are preserved and helps to overcome the serious downsides of each material and technique when operated independently. In this work, we introduce a new concept of combining both absorption and photodegradation mechanisms using organic photocatalytic adsorbents for water purification. This was achieved by formulating photosensitizing hybrids based on a newly synthesized chloroindium (III) 5,10,15,20-tetrakis(4-acetamidophenyl) porphyrin (InTAAP) compound, anchored on oxygen functionalized coconut shell-based activated carbon granules supports. The fashioned integrated photocatalyst adsorbent hybrid (InTAAP(ACO)) was then studied for their adsorption and photodegradation efficiency using methylene blue dye, where InTAAP(ACO) showed excellent photocatalytic activity compared to ACO and unfunctionalized activated carbon granules (AC), with appreciably high and adsorption properties as AC and ACO.
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Light-driven antimicrobial therapy of palladium porphyrins and their chitosan immobilization derivatives and their photophysical-chemical properties
- Sen, Pinar, Soy, Rodah, Mgidlana, Sithi, Mack, John, Nyokong, Tebello
- Authors: Sen, Pinar , Soy, Rodah , Mgidlana, Sithi , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300112 , vital:57894 , xlink:href="https://doi.org/10.1016/j.dyepig.2022.110313"
- Description: The emergence of antimicrobial resistance has made the development of photodynamic therapy (PDT) related applications essential, since microorganisms can not form resistance to this method. Porphyrins are well-known photosensitizers for PDT related applications. Thus, the present study outlines the synthesis, characterization and evaluation of the utility of palladium porphyrins and their chitosan inclusion complexes as photosensitizer dye in photodynamic antimicrobial therapy (PACT). Before in vitro cell studies, the photophysical-chemical studies of all obtained structures were performed in solution. It was observed that the immobilization of the porphyrins into the chitosan influenced the photophysical-chemical and PACT activity properties. The determined fluorescence quantum yield was very low, in the range of 0.007–0.028 for all samples indicating the efficient triplet state population to cause high singlet oxygen quantum yield (ΦΔ). The measured ΦΔ values were in the range of 0.51–0.61 for the porphyrins and 0.53–0.66 for porphyrin chitosan immobilization complexes. Our results demonstrate that the PACT activity of cationic porphyrin (P3) and its chitosan immobilization form (P3-Ct) were more efficient in decreasing the number of viable cells up to 100% in vitro.
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- Authors: Sen, Pinar , Soy, Rodah , Mgidlana, Sithi , Mack, John , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300112 , vital:57894 , xlink:href="https://doi.org/10.1016/j.dyepig.2022.110313"
- Description: The emergence of antimicrobial resistance has made the development of photodynamic therapy (PDT) related applications essential, since microorganisms can not form resistance to this method. Porphyrins are well-known photosensitizers for PDT related applications. Thus, the present study outlines the synthesis, characterization and evaluation of the utility of palladium porphyrins and their chitosan inclusion complexes as photosensitizer dye in photodynamic antimicrobial therapy (PACT). Before in vitro cell studies, the photophysical-chemical studies of all obtained structures were performed in solution. It was observed that the immobilization of the porphyrins into the chitosan influenced the photophysical-chemical and PACT activity properties. The determined fluorescence quantum yield was very low, in the range of 0.007–0.028 for all samples indicating the efficient triplet state population to cause high singlet oxygen quantum yield (ΦΔ). The measured ΦΔ values were in the range of 0.51–0.61 for the porphyrins and 0.53–0.66 for porphyrin chitosan immobilization complexes. Our results demonstrate that the PACT activity of cationic porphyrin (P3) and its chitosan immobilization form (P3-Ct) were more efficient in decreasing the number of viable cells up to 100% in vitro.
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Low-Symmetry Phthalocyanines Bearing Carboxy-Groups
- Bunin, Dmitry A, Ndebele, Nobuhle, Martynov, Alexander G, Mack, John, Gorbunova, Yulia G, Nyokong, Tebello
- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
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- Authors: Bunin, Dmitry A , Ndebele, Nobuhle , Martynov, Alexander G , Mack, John , Gorbunova, Yulia G , Nyokong, Tebello
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/231262 , vital:49870 , xlink:href="https://doi.org/10.3390/molecules27020524" "
- Description: The synthesis and characterization of A3B-type phthalocyanines, ZnPc1–4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units “A” and either one or two carboxylic anchors on isoindoline unit “B” are reported. A comparison of molecular modelling with the conventional time dependent—density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.
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Promotion of Catalytic Oxygen Reduction Reactions
- Wei, Yuqin, Zhao, Long, Yuan, Rui, Xue, Zhaoli, Mack, John, Chivumba, Choonzo, Nyokong, Tebello, Zhang, Jianming
- Authors: Wei, Yuqin , Zhao, Long , Yuan, Rui , Xue, Zhaoli , Mack, John , Chivumba, Choonzo , Nyokong, Tebello , Zhang, Jianming
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300347 , vital:57919 , xlink:href="https://doi.org/10.1021/acs.inorgchem.2c01591"
- Description: Three ABAB-type cobalt meso-tetraarylporphyrins with fluorine (F-CoPor), acetic acid (AC-CoPor), and cyanoacetic acid (CN-CoPor) groups at the para-positions of phenyl rings at the 10,20-positions are synthesized and evaluated as catalysts for oxygen reduction reactions (ORRs). In density functional theory calculations, the frontier molecular orbitals of these complexes were found to be stabilized relative to model complexes with electron-withdrawing atoms or moieties on the meso-aryl rings. Electrochemical measurements suggest that electrodes with CN-CoPor (CN-CoPor/C) exhibit the most positive ORR potential values and the highest limiting current density in both acidic and alkali electrolytes, while the F-CoPor/C electrocatalyst exhibits extremely low ORR performance. The electron transfer numbers for the electrocatalysts are more than 3.0, indicating that a mixture of 2- and 4-electron transfer pathways occurs. The results demonstrate that coupling the hydrogen bonding properties and electron-withdrawing abilities through rational design of the substituent at the meso-position is an efficient way to modify the ORR performance.
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- Authors: Wei, Yuqin , Zhao, Long , Yuan, Rui , Xue, Zhaoli , Mack, John , Chivumba, Choonzo , Nyokong, Tebello , Zhang, Jianming
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/300347 , vital:57919 , xlink:href="https://doi.org/10.1021/acs.inorgchem.2c01591"
- Description: Three ABAB-type cobalt meso-tetraarylporphyrins with fluorine (F-CoPor), acetic acid (AC-CoPor), and cyanoacetic acid (CN-CoPor) groups at the para-positions of phenyl rings at the 10,20-positions are synthesized and evaluated as catalysts for oxygen reduction reactions (ORRs). In density functional theory calculations, the frontier molecular orbitals of these complexes were found to be stabilized relative to model complexes with electron-withdrawing atoms or moieties on the meso-aryl rings. Electrochemical measurements suggest that electrodes with CN-CoPor (CN-CoPor/C) exhibit the most positive ORR potential values and the highest limiting current density in both acidic and alkali electrolytes, while the F-CoPor/C electrocatalyst exhibits extremely low ORR performance. The electron transfer numbers for the electrocatalysts are more than 3.0, indicating that a mixture of 2- and 4-electron transfer pathways occurs. The results demonstrate that coupling the hydrogen bonding properties and electron-withdrawing abilities through rational design of the substituent at the meso-position is an efficient way to modify the ORR performance.
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Structural modification of RhIIItriarylcorroles for enhanced electrocatalyzed hydrogen evolution reactions
- Zhu, Weihua, Li, Lihua, Wang, Yu, Mack, John, Dingiswayo, Somila, Nyokong, Tebello, Liang, Xu
- Authors: Zhu, Weihua , Li, Lihua , Wang, Yu , Mack, John , Dingiswayo, Somila , Nyokong, Tebello , Liang, Xu
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/229933 , vital:49724 , xlink:href="https://doi.org/10.1016/j.dyepig.2021.110046"
- Description: A series of A3 type RhIIItriarylcorroles 2a-c with different meso-substituents with differing electron-donating and withdrawing properties and two A2B type RhIIItriarylcorroles 4a-b with meso-methylthiophenyls at the B position have been prepared and characterized. An analysis of structure-property relationships of 2a-c and 4a-b has been carried out by comparing the optical spectroscopy and electrochemistry of the dyes to trends predicted in DFT and TD-DFT calculations. Rational structural modification strategies that enhance the suitability of 2a-c for use as highly efficient catalysts for hydrogen evolution reactions on glassy carbon electrodes coated with 2a-c/reduced graphene oxide composites and of 4a-b in surface-modified Au electrodes are explored.
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- Authors: Zhu, Weihua , Li, Lihua , Wang, Yu , Mack, John , Dingiswayo, Somila , Nyokong, Tebello , Liang, Xu
- Date: 2022
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/229933 , vital:49724 , xlink:href="https://doi.org/10.1016/j.dyepig.2021.110046"
- Description: A series of A3 type RhIIItriarylcorroles 2a-c with different meso-substituents with differing electron-donating and withdrawing properties and two A2B type RhIIItriarylcorroles 4a-b with meso-methylthiophenyls at the B position have been prepared and characterized. An analysis of structure-property relationships of 2a-c and 4a-b has been carried out by comparing the optical spectroscopy and electrochemistry of the dyes to trends predicted in DFT and TD-DFT calculations. Rational structural modification strategies that enhance the suitability of 2a-c for use as highly efficient catalysts for hydrogen evolution reactions on glassy carbon electrodes coated with 2a-c/reduced graphene oxide composites and of 4a-b in surface-modified Au electrodes are explored.
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A heavy-atom-free π-extended N-confused porphyrin as a photosensitizer for photodynamic therapy
- Babu, Balaji, Mack, John, Nyokong, Tebello
- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185909 , vital:44447 , xlink:href="https://doi.org/10.1039/d1nj00112d"
- Description: The synthesis and characterization of a novel 1,3-diethyl-2-thiobarbituric-acid-substituted N-confused porphyrin (NCP-TB) is reported, along with a study of its photodynamic activity against MCF-7 cells using 530 (110 mW cm−2) and 660 nm (280 mW cm−2) Thorlabs light-emitting diodes for 30 min. The singlet oxygen quantum yield for NCP-TB is 0.38 compared to 0.23 for the parent unsubstituted N-confused porphyrin (NCP) due to the presence of a sulfur atom. NCP-TB exhibits enhanced PDT activity compared to NCP at both wavelengths. A significantly lower IC50 value of 5.2 μM was obtained at 530 nm (14.7 μM at 660 nm) despite a smaller light dose, due to a large red shift of the intense B band into the green region of the spectrum. 2′,7′-Dichlorofluorescein diacetate (DCFDA) assays demonstrate that there is intracellular generation of reactive oxygen species upon exposure to light.
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- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185909 , vital:44447 , xlink:href="https://doi.org/10.1039/d1nj00112d"
- Description: The synthesis and characterization of a novel 1,3-diethyl-2-thiobarbituric-acid-substituted N-confused porphyrin (NCP-TB) is reported, along with a study of its photodynamic activity against MCF-7 cells using 530 (110 mW cm−2) and 660 nm (280 mW cm−2) Thorlabs light-emitting diodes for 30 min. The singlet oxygen quantum yield for NCP-TB is 0.38 compared to 0.23 for the parent unsubstituted N-confused porphyrin (NCP) due to the presence of a sulfur atom. NCP-TB exhibits enhanced PDT activity compared to NCP at both wavelengths. A significantly lower IC50 value of 5.2 μM was obtained at 530 nm (14.7 μM at 660 nm) despite a smaller light dose, due to a large red shift of the intense B band into the green region of the spectrum. 2′,7′-Dichlorofluorescein diacetate (DCFDA) assays demonstrate that there is intracellular generation of reactive oxygen species upon exposure to light.
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Ball-type phthalocyanines and reduced graphene oxide nanoparticles as separate and combined corrosion inhibitors of aluminium in HCl
- Nnaji, Nnaemeka, Nawji, Njemuwa, Mack, John, Nyokong, Tebello
- Authors: Nnaji, Nnaemeka , Nawji, Njemuwa , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185421 , vital:44385 , xlink:href="https://doi.org/10.1016/j.molstruc.2021.130279"
- Description: Corrosion inhibition performances and adsorption behaviour at the aluminum-HCl solution interface were investigated for reduced graphene oxide nanosheets (rGONS), tetrakis-[4,4′-((4-(benzo[d]thiazol-2-yl)-1,2-bis(phenoxy)] (diphthalocyaninato gallium (III) chloride) (2) and tetrakis-4-(hexadecane-1,2-dioxyl)-bis(phthalocyaninato gallium(III) chloride) (1). Corrosion inhibition effects of rGONS, 1 and 2 were evaluated alone and in combination in 1.0 M hydrochloric acid solution using electrochemical techniques. The mechanism of aluminum corrosion inhibition revealed predominantly anodic character for rGONS and predominantly cathodic character for 1, 2, and conjugates with rGONS . The polarization technique gave inhibition efficiency values of 96.5% and 96.9% respectively for 1 and 2, which increased in the presence of rGONS to 97.4% and 98.1%, respectively, for the highest concentrations of 1 and 2. Scanning electron microscopy revealed effective metal surface protection by the inhibitors by formation of protective films.
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- Authors: Nnaji, Nnaemeka , Nawji, Njemuwa , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185421 , vital:44385 , xlink:href="https://doi.org/10.1016/j.molstruc.2021.130279"
- Description: Corrosion inhibition performances and adsorption behaviour at the aluminum-HCl solution interface were investigated for reduced graphene oxide nanosheets (rGONS), tetrakis-[4,4′-((4-(benzo[d]thiazol-2-yl)-1,2-bis(phenoxy)] (diphthalocyaninato gallium (III) chloride) (2) and tetrakis-4-(hexadecane-1,2-dioxyl)-bis(phthalocyaninato gallium(III) chloride) (1). Corrosion inhibition effects of rGONS, 1 and 2 were evaluated alone and in combination in 1.0 M hydrochloric acid solution using electrochemical techniques. The mechanism of aluminum corrosion inhibition revealed predominantly anodic character for rGONS and predominantly cathodic character for 1, 2, and conjugates with rGONS . The polarization technique gave inhibition efficiency values of 96.5% and 96.9% respectively for 1 and 2, which increased in the presence of rGONS to 97.4% and 98.1%, respectively, for the highest concentrations of 1 and 2. Scanning electron microscopy revealed effective metal surface protection by the inhibitors by formation of protective films.
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Borneol-triarylcorrole hybrids with chiral-optical response and anticancer behaviours
- Fu, Bo, Wang, Lin, Yu, Xiaoxiao, Fang, Xianying, Mack, John, Dingiswayo, Somila, Nyokong, Tebello, Liang, Xu, Xu, Haijun
- Authors: Fu, Bo , Wang, Lin , Yu, Xiaoxiao , Fang, Xianying , Mack, John , Dingiswayo, Somila , Nyokong, Tebello , Liang, Xu , Xu, Haijun
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185294 , vital:44362 , xlink:href="https://doi.org/10.1016/j.dyepig.2021.109699"
- Description: A series of four multifunctional A2B type H3corroles with meso-borneol substituents at the B position have been synthesized and characterized. A detailed analysis of the optical properties was carried out, and a comparison was made with theoretical calculations to identify the key trends in the structure-property relationships. The meso-borneol substituent couples with the corrole core leading to clear CD signals in the B band region. Enhanced anti-cancer properties are observed in vitro relative to (−)-borneol with cell inhibition rates of up to 94%.
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- Authors: Fu, Bo , Wang, Lin , Yu, Xiaoxiao , Fang, Xianying , Mack, John , Dingiswayo, Somila , Nyokong, Tebello , Liang, Xu , Xu, Haijun
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185294 , vital:44362 , xlink:href="https://doi.org/10.1016/j.dyepig.2021.109699"
- Description: A series of four multifunctional A2B type H3corroles with meso-borneol substituents at the B position have been synthesized and characterized. A detailed analysis of the optical properties was carried out, and a comparison was made with theoretical calculations to identify the key trends in the structure-property relationships. The meso-borneol substituent couples with the corrole core leading to clear CD signals in the B band region. Enhanced anti-cancer properties are observed in vitro relative to (−)-borneol with cell inhibition rates of up to 94%.
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Disilane-bridged architectures with high optical transparency for optical limiting
- Feng, Hongjie, Zhou, Zhikuan, May, Aviwe K, Chen, Jiaying, Mack, John, Nyokong, Tebello, Gai, Lizhi, Lu, Hua
- Authors: Feng, Hongjie , Zhou, Zhikuan , May, Aviwe K , Chen, Jiaying , Mack, John , Nyokong, Tebello , Gai, Lizhi , Lu, Hua
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190623 , vital:45011 , xlink:href="https://doi.org/10.1039/D1TC01488A"
- Description: A novel tetraphenylethylene (TPE) architecture that makes use of a disilane bridge was developed to successfully prepare organic optical power limiting (OPL) materials with high transparency. The σ-bridged TPE derivatives exhibit enhanced solid-state emission efficacies up to 4 times that of TPE. Due to the unique σ-electron delocalization, the incorporated Si–Si bridge gives rise to intense nonlinear optics (NLO) properties. These compounds show favorable optical transparency in the visible region, since the σ–π interaction has a relatively minor effect on the absorption properties of TPE. The poly(bisphenol A carbonate) (PBC) thin films of disilane-bridged compounds exhibit significant reverse saturable absorbance (RSA) responses during Z-scan measurements at 532 nm. In contrast, negligible OPL properties were observed in tetrahydrofuran (THF) solution and when a PBC thin film was prepared with TPE. The disilane-bridged molecular system represents a novel and easily prepared architecture for the construction of solid-state optical limiting materials.
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- Authors: Feng, Hongjie , Zhou, Zhikuan , May, Aviwe K , Chen, Jiaying , Mack, John , Nyokong, Tebello , Gai, Lizhi , Lu, Hua
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190623 , vital:45011 , xlink:href="https://doi.org/10.1039/D1TC01488A"
- Description: A novel tetraphenylethylene (TPE) architecture that makes use of a disilane bridge was developed to successfully prepare organic optical power limiting (OPL) materials with high transparency. The σ-bridged TPE derivatives exhibit enhanced solid-state emission efficacies up to 4 times that of TPE. Due to the unique σ-electron delocalization, the incorporated Si–Si bridge gives rise to intense nonlinear optics (NLO) properties. These compounds show favorable optical transparency in the visible region, since the σ–π interaction has a relatively minor effect on the absorption properties of TPE. The poly(bisphenol A carbonate) (PBC) thin films of disilane-bridged compounds exhibit significant reverse saturable absorbance (RSA) responses during Z-scan measurements at 532 nm. In contrast, negligible OPL properties were observed in tetrahydrofuran (THF) solution and when a PBC thin film was prepared with TPE. The disilane-bridged molecular system represents a novel and easily prepared architecture for the construction of solid-state optical limiting materials.
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Modulation of the optical properties of chiral porphyrin dimers by introducing bridged chiral amide-bonds
- Qin, Mingfeng, Zhang, Zhen, Zhu, Weihua, Mack, John, Soy, Rodah C, Nyokong, Tebello, Liang, Xu
- Authors: Qin, Mingfeng , Zhang, Zhen , Zhu, Weihua , Mack, John , Soy, Rodah C , Nyokong, Tebello , Liang, Xu
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190815 , vital:45031 , xlink:href="https://doi.org/10.1142/S1088424620500492"
- Description: The d/l-enantiomers of a series of three Zn(II)tetraarylporphyrin dimers were synthesized and isolated by incorporating a bridging amide-bonded xanthene moiety at the para-position of one of the meso-aryl rings. The electronic structures and optical properties were modulated by incorporating chiral amino acid moieties into the amide-bonding moieties of the xanthene bridge that contain methyl, tolyl and 2-methylindole substituents. A cofacial dimer was formed in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) resulting in a significant red shift of the B band, due to a relative destabilization of the HOMO, which has large MO coefficients on the pyrrole nitrogens. The sign sequences observed in the B band region of the CD spectra due to the presence of the chiral amino acid moieties were modified due to this change in geometry. Significant CD intensity is also observed in the B band region of the CD spectra of anion radical species during in situ spectroelectrochemical measurements.
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- Authors: Qin, Mingfeng , Zhang, Zhen , Zhu, Weihua , Mack, John , Soy, Rodah C , Nyokong, Tebello , Liang, Xu
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190815 , vital:45031 , xlink:href="https://doi.org/10.1142/S1088424620500492"
- Description: The d/l-enantiomers of a series of three Zn(II)tetraarylporphyrin dimers were synthesized and isolated by incorporating a bridging amide-bonded xanthene moiety at the para-position of one of the meso-aryl rings. The electronic structures and optical properties were modulated by incorporating chiral amino acid moieties into the amide-bonding moieties of the xanthene bridge that contain methyl, tolyl and 2-methylindole substituents. A cofacial dimer was formed in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) resulting in a significant red shift of the B band, due to a relative destabilization of the HOMO, which has large MO coefficients on the pyrrole nitrogens. The sign sequences observed in the B band region of the CD spectra due to the presence of the chiral amino acid moieties were modified due to this change in geometry. Significant CD intensity is also observed in the B band region of the CD spectra of anion radical species during in situ spectroelectrochemical measurements.
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Naked Eye and Colorimetric Detection of Cyanide with a 1, 3‐Diethyl‐2‐thiobarbituric Acid Substituted Ferrocene Chemosensor
- Babu, Balaji, Mack, John, Nyokong, Tebello
- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190567 , vital:45006 , xlink:href="https://doi.org/10.1002/slct.202100163"
- Description: A 1,3-diethyl-2-thiobarbituric-acid-substituted ferrocene (FET) has been evaluated for its cyanide sensing ability by UV-visible absorption spectroscopy and other characterization methods. FET provides a ratiometric colorimetric chemosensor for the CN− anion detection in 1 : 1 DMSO/H2O (v/v) solution. The addition of CN− results in an immediate color change from dark blue to pale orange that is visible to the naked eye. Mechanism studies and molecular modelling with TD-DFT calculations demonstrate that nucleophilic addition of CN− to an electrophilic sp2-hybridized carbon atom blocks charge transfer from the ferrocene ring complex to the thiobarbituric acid moiety. The FET sensor exhibits excellent selectivity for CN− and a limit of detection of 0.2 μM.
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- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190567 , vital:45006 , xlink:href="https://doi.org/10.1002/slct.202100163"
- Description: A 1,3-diethyl-2-thiobarbituric-acid-substituted ferrocene (FET) has been evaluated for its cyanide sensing ability by UV-visible absorption spectroscopy and other characterization methods. FET provides a ratiometric colorimetric chemosensor for the CN− anion detection in 1 : 1 DMSO/H2O (v/v) solution. The addition of CN− results in an immediate color change from dark blue to pale orange that is visible to the naked eye. Mechanism studies and molecular modelling with TD-DFT calculations demonstrate that nucleophilic addition of CN− to an electrophilic sp2-hybridized carbon atom blocks charge transfer from the ferrocene ring complex to the thiobarbituric acid moiety. The FET sensor exhibits excellent selectivity for CN− and a limit of detection of 0.2 μM.
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Photocytotoxicity of heavy-atom-free thiobarbituric acid functionalized pyrene derivatives against MCF-7 cancer cells
- Babu, Balaji, Ali, Thaslima A, Ochappan, Thivagar, Mack, John, Nyokong, Tebello, Sethuraman, Mathur G
- Authors: Babu, Balaji , Ali, Thaslima A , Ochappan, Thivagar , Mack, John , Nyokong, Tebello , Sethuraman, Mathur G
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190556 , vital:45005 , xlink:href="https://doi.org/10.1016/j.pdpdt.2020.102102"
- Description: Two thiobarbituric acid-functionalized pyrene derivatives (P1, P2) have been synthesized to explore the photophysical properties and photodynamic activity of dyes of this type. Both compounds exhibit an intense intramolecular charge transfer (ICT) band at ca. 470 nm, which is absent in the spectra of the precursor. P1 and P2 exhibit singlet oxygen generation on irradiation with light with moderate singlet oxygen yields of 0.36 and 0.32, respectively, in DMSO. P1 showed better photodynamic activity against MCF-7 cells with an IC50 value of 18.3 μM under illumination at 455 nm for 60 min with a Thorlabs M455L3 LED (330 mW.cm−2).
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- Authors: Babu, Balaji , Ali, Thaslima A , Ochappan, Thivagar , Mack, John , Nyokong, Tebello , Sethuraman, Mathur G
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190556 , vital:45005 , xlink:href="https://doi.org/10.1016/j.pdpdt.2020.102102"
- Description: Two thiobarbituric acid-functionalized pyrene derivatives (P1, P2) have been synthesized to explore the photophysical properties and photodynamic activity of dyes of this type. Both compounds exhibit an intense intramolecular charge transfer (ICT) band at ca. 470 nm, which is absent in the spectra of the precursor. P1 and P2 exhibit singlet oxygen generation on irradiation with light with moderate singlet oxygen yields of 0.36 and 0.32, respectively, in DMSO. P1 showed better photodynamic activity against MCF-7 cells with an IC50 value of 18.3 μM under illumination at 455 nm for 60 min with a Thorlabs M455L3 LED (330 mW.cm−2).
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Photodynamic activity of 2, 6-dibrominated dimethylaminophenylbuta-1, 3-dienylBODIPY dyes
- Khubeka, Gugu, Babu, Balaji, Prinsloo, Earl, Kobayashi, Nagao, Mack, John, Nyokong, Tebello
- Authors: Khubeka, Gugu , Babu, Balaji , Prinsloo, Earl , Kobayashi, Nagao , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190804 , vital:45030 , xlink:href="https://doi.org/10.1142/S1088424620500509"
- Description: Mono- and disubstituted 2,6-dibromo-dimethylaminophenylbuta-1,3-dienylBODIPY dyes were successfully prepared, and their in vitro photodynamic activities against MCF-7 breast cancer cells were evaluated with a Thorlabs M660L4 660 nm LED (336 J · cm−2)−2). The IC5050 value of the monophenylbuta-1,3-dienylBODIPY was ca. 2.1 μμM, while that of the diphenylbuta-1,3-dienylBODIPY was > 50 μμM. Both dyes exhibited minimal dark toxicity. The results demonstrate that monosubstituted 2,6-dibromo-dimethylaminophenylbuta-1,3-dienylBODIPY dyes merit further in-depth study for use as photosensitizer dyes in photodynamic therapy.
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- Authors: Khubeka, Gugu , Babu, Balaji , Prinsloo, Earl , Kobayashi, Nagao , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190804 , vital:45030 , xlink:href="https://doi.org/10.1142/S1088424620500509"
- Description: Mono- and disubstituted 2,6-dibromo-dimethylaminophenylbuta-1,3-dienylBODIPY dyes were successfully prepared, and their in vitro photodynamic activities against MCF-7 breast cancer cells were evaluated with a Thorlabs M660L4 660 nm LED (336 J · cm−2)−2). The IC5050 value of the monophenylbuta-1,3-dienylBODIPY was ca. 2.1 μμM, while that of the diphenylbuta-1,3-dienylBODIPY was > 50 μμM. Both dyes exhibited minimal dark toxicity. The results demonstrate that monosubstituted 2,6-dibromo-dimethylaminophenylbuta-1,3-dienylBODIPY dyes merit further in-depth study for use as photosensitizer dyes in photodynamic therapy.
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Photodynamic activity of Sn (IV) tetrathien-2-ylchlorin against MCF-7 breast cancer cells
- Babu, Balaji, Mack, John, Nyokong, Tebello
- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185920 , vital:44448 , xlink:href="https://doi.org/10.1039/d0dt03958f"
- Description: A new readily-synthesized Sn(IV) tetraarylchlorin with thien-2-yl substituents (SnC) has been prepared and fully characterized by various spectroscopic techniques and its photophysical and photochemical properties, such as the singlet oxygen quantum yield (ΦΔ), fluorescence quantum yield (ΦF), triplet lifetime (τT) and photostability, have been evaluated. SnC has an unusually high ΦΔ value of 0.89 in DMF. Studies on the photodynamic activity against MCF-7 breast cancer cells exhibited a very low IC50 value of 0.9 μM and high phototoxicity (dark versus light) indices of >27.8 after irradiation with a 660 nm Thorlabs LED (280 mW cm−2). The results demonstrate that Sn(IV) tetraarylchlorins of this type are suitable candidates for further in-depth PDT studies.
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- Authors: Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/185920 , vital:44448 , xlink:href="https://doi.org/10.1039/d0dt03958f"
- Description: A new readily-synthesized Sn(IV) tetraarylchlorin with thien-2-yl substituents (SnC) has been prepared and fully characterized by various spectroscopic techniques and its photophysical and photochemical properties, such as the singlet oxygen quantum yield (ΦΔ), fluorescence quantum yield (ΦF), triplet lifetime (τT) and photostability, have been evaluated. SnC has an unusually high ΦΔ value of 0.89 in DMF. Studies on the photodynamic activity against MCF-7 breast cancer cells exhibited a very low IC50 value of 0.9 μM and high phototoxicity (dark versus light) indices of >27.8 after irradiation with a 660 nm Thorlabs LED (280 mW cm−2). The results demonstrate that Sn(IV) tetraarylchlorins of this type are suitable candidates for further in-depth PDT studies.
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Positively charged styryl pyridine substituted Zn (II) Phthalocyanines for Photodynamic Therapy and Photoantimicrobial Chemotherapy
- Magadla, Aviwe, Babu, Balaji, Mack, John, Nyokong, Tebello
- Authors: Magadla, Aviwe , Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190600 , vital:45009 , xlink:href="https://doi.org/10.1039/D1DT01047F"
- Description: Cationic Zn phthalocyanine complexes were synthesized using Knoevenagel reaction starting from a Zn(II) tetrakis(2-formylphenoxy)phthalocyanine (1) to form Zn(II) tetrakis(1-butyl-4-(4-(tetraphenoxy)styryl)pyridin-1-ium) phthalocyanine (2) and Zn(II) tetrakis(4-(4-(tetraphenoxy)styryl)-1-(4-(triphenylphosphonio)butyl)pyridin-1-ium)phthalocyanine (3). The photophysicochemical behaviours of the Pc complexes were assessed. The cationic complexes display high water-solubility and gave moderate singlet oxygen quantum yield in water. The cationic Pcs demonstrate good cellular uptake and photodynamic activity against MCF-7 cells with IC50 values of 8.2 and 4.9 μM for 2 and 3, respectively. The cationic Pcs also demonstrate high photoantimicrobial activity against Escherichia coli with log reductions of 5.3 and 6.0 for 2 and 3, respectively.
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- Authors: Magadla, Aviwe , Babu, Balaji , Mack, John , Nyokong, Tebello
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190600 , vital:45009 , xlink:href="https://doi.org/10.1039/D1DT01047F"
- Description: Cationic Zn phthalocyanine complexes were synthesized using Knoevenagel reaction starting from a Zn(II) tetrakis(2-formylphenoxy)phthalocyanine (1) to form Zn(II) tetrakis(1-butyl-4-(4-(tetraphenoxy)styryl)pyridin-1-ium) phthalocyanine (2) and Zn(II) tetrakis(4-(4-(tetraphenoxy)styryl)-1-(4-(triphenylphosphonio)butyl)pyridin-1-ium)phthalocyanine (3). The photophysicochemical behaviours of the Pc complexes were assessed. The cationic complexes display high water-solubility and gave moderate singlet oxygen quantum yield in water. The cationic Pcs demonstrate good cellular uptake and photodynamic activity against MCF-7 cells with IC50 values of 8.2 and 4.9 μM for 2 and 3, respectively. The cationic Pcs also demonstrate high photoantimicrobial activity against Escherichia coli with log reductions of 5.3 and 6.0 for 2 and 3, respectively.
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Push-pull type Co (III) corroles
- Niu, Yingjie, Zhu, Weihua, Mack, John, Dubazana, Nadine, Nyokong, Tebello, Fu, Bo, Xu, Haijun, Liang, Xu
- Authors: Niu, Yingjie , Zhu, Weihua , Mack, John , Dubazana, Nadine , Nyokong, Tebello , Fu, Bo , Xu, Haijun , Liang, Xu
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190826 , vital:45032 , xlink:href="https://doi.org/10.1142/S1088424621500279"
- Description: The rational design and preparation of three A2B type Co(III)triarylcorroles with push- and pull-substituents are reported. The structure-property relationships were identified by comparing their optically spectroscopic and electrochemical properties to trends predicted in DFT and TD-DFT calculations. The results demonstrate that the Co(III)triarylcorroles are highly efficient catalysts for electrocatalyzed hydrogen evolutions (HERs) and oxygen reductions (ORRs), and that their reactivity can be modulated by changing the meso-B-substituent of the Co(III)Corroles.
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- Authors: Niu, Yingjie , Zhu, Weihua , Mack, John , Dubazana, Nadine , Nyokong, Tebello , Fu, Bo , Xu, Haijun , Liang, Xu
- Date: 2021
- Subjects: To be catalogued
- Language: English
- Type: text , article
- Identifier: http://hdl.handle.net/10962/190826 , vital:45032 , xlink:href="https://doi.org/10.1142/S1088424621500279"
- Description: The rational design and preparation of three A2B type Co(III)triarylcorroles with push- and pull-substituents are reported. The structure-property relationships were identified by comparing their optically spectroscopic and electrochemical properties to trends predicted in DFT and TD-DFT calculations. The results demonstrate that the Co(III)triarylcorroles are highly efficient catalysts for electrocatalyzed hydrogen evolutions (HERs) and oxygen reductions (ORRs), and that their reactivity can be modulated by changing the meso-B-substituent of the Co(III)Corroles.
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