Publications 2017

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Thermal and mechanical properties of PP/HDPE/wood powder and MAPP/HDPE/wood powder polymer blend composites, D.G. Dikobe, A.S. Luyt, Thermochimica Acta, 654, 2017, 40.

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Salts of 4-aminobutyric acid and 6-aminohexanoic acid behaving as molecular Velcro, M. RademeyerB. van der Westhuizen, CrystEngComm, 2017, 19, 6821.

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Exploring fundamental differences between red- and blue-shifted intramolecular hydrogen bonds using FAMSEC, FALDI, IQA and QTAIM, Ignacy Cukrowski, Daniël M. E. van Niekerk, Jurgens H. de Lange, Struct Chem, 2017, 28, 1429.

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On the origin of the relative stability of ZnIINTA and ZnIINTPA metal complexes. An insight from the IQA, IQF, and p-FARMS methods, Paidamwoyo Mangondo, Ignacy Cukrowski, Int. J. Quantum Chem. 2017, 117, e25321.

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Reliability of interacting quantum atoms (IQA) data computed from post-HF densities: impact of the approximation used, Ignacy Cukrowski, Pavel M. Polestshuk, Phys.Chem.Chem.Phys., 2017, 19, 16375.

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Gold(I) Hydrides as Proton Acceptors in Dihydrogen Bond Formation, Ignacy Cukrowski, Jurgens H. de Lange, Ferdinand Groenewald, Helgard G. Raubenheimer, ChemPhysChem, 2017, 18, 2288.

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Toward Deformation Densities for Intramolecular Interactions without Radical Reference States Using the Fragment, Atom, Localized, Delocalized, and Interatomic (FALDI) Charge Density Decomposition Scheme, Jurgens Hendrik de Lange, Ignacy Cukrowski, Journal of Computational Chemistry, 2017, 38, 981.

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Solvent-directed Regioselective Benzylation of Adenine: Characterization of N9-benzyladenine and N3-benzyladenine, Dominique M. S. Buyens, Paidamwoyo Mangondo, Ignacy Cukrowski, Lynne A. Pilcher, J. Heterocyclic Chem., 54, 2017, 2946.

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Mono-, di- and tetrarhenium Fischer carbine complexes with thienothiophene substituents, Zandria Lamprecht, Shankara G. Radhakrishnan, Alexander Hildebrandt, Heinrich Lang, David C. Liles, Nora-ann Weststrate, Simon Lotz, Daniela I. Bezuidenhout, Dalton Trans., 2017, 46, 13983.

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Packing polymorphism of dicarbonyl-[2-(phenylamino)pent-3-en-4- onato]rhodium(I), Hendrik Ferreira, Marrigje Marianne Conradie, Petrus H. van Rooyen,  Jeanet Conradie, Journal of Organometallic Chemistry851, 2017, 235.

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A promising azeotrope-like mosquito repellent blend, Homa Izadi, Walter W Focke, Erfan Asaadi, Rajendra Maharaj, Jannie Pretorius, Mattheüs Theodor Loots, Scientific Reports, 7, 2017, 10273.

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Submicron Matrices Embedded in a Polymeric Caplet for Extended Intravaginal Delivery of Zidovudine, Felix Mashingaidze, Yahya E. Choonara, Pradeep Kumar, Lisa C. du Toit, Vinesh Maharaj, Eckhart Buchmann, Viness Pillay, The AAPS Journal, 19, 6, 2017, 1745.

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A comparative study of geopolymers synthesized from OXY-combustion and chemical looping combustion bottom ashes

C.N. Nkuna, B.O. Oboirien, E.R. Sadiku, J. Lekitima

Construction and Building Materials 136 (2017) 246–255

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Structural Assignment of Commercial Polyisobutylene Succinic Anhydride-based Surfactants

Marina M. van der Merwe, Marilé Landman,  Petrus H. van Rooyen, Johannes H. L. Jordaan, Daniel P. Otto

J Surfact Deterg (2017) 20:193–205

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Molybdenum(0) Fischer ethoxycarbene complexes: Synthesis, X-ray crystal structures and DFT study

Armand Jansen van Rensburg, Marilé Landman, Petrus H. van Rooyen, Marrigje M. Conradie, Jeanet Conradie

Polyhedron 121 (2017) 285–296

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A Hemilabile and Cooperative N-Donor-Functionalized 1,2,3-Triazol-5-Ylidene Ligand for Alkyne Hydrothiolation Reactions

Ian Strydom, Gregorio Guisado-Barrios, Israel Fernández, David C. Liles, Eduardo Peris and Daniela I. Bezuidenhout

Chem. Eur. J. 2017, 23, 1393 – 1401

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High-performance Mn3O4/onion-like carbon (OLC) nanohybrid pseudocapacitor: Unravelling the intrinsic properties of OLC against other carbon supports,
Katlego Makgopa,  Kumar Raju, Paul M. Ejikeme, Kenneth I. Ozoemena
Carbon, 117 (2017) 20-32

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A Hemilabile and Cooperative N-Donor-Functionalized 1,2,3-Triazol-5-Ylidene Ligand for Alkyne Hydrothiolation Reactions
Ian Strydom, Gregorio Guisado-Barrios, Israel Fernandez, David C. Liles, Eduardo Peris, and Daniela I. Bezuidenhout
Chem. Eur. J.( 2017), 23, 1393 – 1401

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Targeting Alzheimer's disease by investigating previously unexplored chemical space surrounding the cholinesterase inhibitor donepezil
Divan G. van Greunen, Werner Cordier, Margo Nell, Chris van der Westhuyzen, Vanessa Steenkamp , Jenny-Lee Panayides , Darren L. Riley
European Journal of Medicinal Chemistry (2017), 671-690

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Synthesis and XPS characterization of Si-supported chromium(0) Fischer aminocarbene complexes, Roxanne Gostynski
Roan Fraser, Marile Landman, Elizabeth Erasmus, Jeanet Conradie
Journal of Organometallic Chemistry (2017) 62-67

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Identifying potential surface water sampling sites for emerging chemical pollutants in Gauteng Province, South Africa
F Petersen, JM Dabrowski and PBC Forbes
Water SA Vol. 43 No. 1 January 2017

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Electrochemical study of chromium(0) Fischer carbene complexes: Trends in redox potential, Roxanne Gostynski
Roan Fraser, Marilé Landman, Elizabeth Erasmus, Jeanet Conradie
Polyhedron 127 (2017) 323–330

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Synthesis and structural investigation of mono- and dimetallic N-heterocyclic carbene complexes of group VII transition metals
Roan Fraser, Cornelia G.C.E. van Sittert, Petrus H. van Rooyen , Marile Landman
Journal of Organometallic Chemistry, 835 (2017) 60-69

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Triarylated 1,2,3-Triazol-5-ylidene Ligand with a Redox-Active Ferrocenyl Substituent for Rhodium(I)-Catalyzed Hydroformylation of 1-Octene
Danielle Aucamp, Tim Witteler, Fabian Dielmann, Shepherd Siangwata, David C. Liles, Gregory S. Smith, Daniela I. Bezuidenhout
Eur. J. Inorg. Chem. (2017), 1227–1236

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Potential for identifying plant-based toxins on San hunter-gatherer arrowheads
Madelien Wooding, Justin Bradfield, Vinesh Maharaj, Dwayne Koot, Lyn Wadley, Linda Prinsloo, Marlize Lombard
South African Journal of Science, 113, (2017), 1-10

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CpNiBr(NHC) complexes as pre-catalysts in the chemoselectiveanaerobic oxidation of secondary aryl alcohols: Experimental and DFT studies
Frederick P. Malan, Eric Singleton, Bryan W. Bulling, Ignacy Cukrowski, Petrus H. van Rooyen, Marilé Landman
Molecular Catalysis 432 (2017) 47–56

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Determination of endocrine disrupting chemicals and antiretroviralcompounds in surface water: A disposable sorptive sampler withcomprehensive gas chromatography – Time-of-flight massspectrometry and large volume injection with ultra-high performanceliquid chromatography–tandem mass spectrometry
Madelien Wooding, Egmont R. Rohwer, Yvette Naudé
Journal of Chromatography A, 1496 (2017) 122–132

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Synthesis, structure and DFT study of asymmetrical NHC complexes of cymantrene derivatives and their application in the dehydrogenative dimerization reaction of thiols
Roan Fraser, Petrus H. van Rooyen, Jurgens de Lange, Ignacy Cukrowski, Marile Landman
Journal of Organometallic Chemistry 840 (2017) 11‐ 22

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Microwave‐assisted synthesis of cobalt sulphide nanoparticle clusters on activated graphene foam for electrochemical supercapacitors
Tshifhiwa Moureen Masikhwa, Moshawe Jack Madito, Abdulhakeem Bello, Joel Lekitima and Ncholu Manyala
RSC Adv., (2017), 7, 20231–20240

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Protective Roles of Monsonia angustifolia and Its Active Compounds in Experimental Models of Alzheimer’s Disease
Yoon Sun Chun, Joonki Kim, Sungkwon Chung, Eric Khorombi, Dashnie Naidoo, Rudzani Nthambeleni, Nial Harding, Vinesh Maharaj, Gerda Fouche, and Hyun Ok Yang
J. Agric. Food Chem. (2017), 65, 3133−3140

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Photophysical properties of a series of alloyed and non‐alloyed watersoluble L‐cysteine‐capped core quantum dots
Oluwasesan Adegoke, Tebello Nyokong, Patricia B.C. Forbes
Journal of Alloys and Compounds 695 (2017) 1354‐1361

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Multi‐channel silicone rubber traps as denuders for gas–particle partitioning of aerosols from semivolatile organic compounds
Vesta Kohlmeier, George C. Dragan, Erwin W. Karg, Jurgen Schnelle‐Kreis, Dietmar Breuer, Patricia B. C. Forbes, Egmont R. Rohwer and Ralf Zimmermann
Environ. Sci.: Processes Impacts, DOI: 10.1039/c7em00044h

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Ammonium sulphate and/or ammonium bisulphate as extracting agents for the recovery of aluminium from ultrafine coal fly ash
Elizabet M. van der Merwe, Clarissa L. Gray, Barbara A. Castleman, Sameera Mohamed, Richard A. Kruger, Frédéric J. Doucet
Hydrometallurgy, 171 (2017) 185–190

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Alloyed quaternary/binary core/shell quantum dot‐graphene oxide nanocomposite: Preparation, characterization and application as  a fluorescence “switch ON” probe for environmental pollutants
Oluwasesan Adegoke, Hanieh Montaseri, Sifiso A. Nsibande, Patricia B.C. Forbes
Journal of Alloys and Compounds 720 (2017) 70‐78

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Structural and electronic features of triphenylstibine-functionalized Fischer carbene complexes of molybdenum(0)
Armand Jansen van Rensburg , Marilé Landman, Petrus H. van Rooyen, Marrigje M. Conradie
Polyhedron 133 (2017) 307–318.

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Synthesis, structure and DFT conformation analysis of CpNiX(NHC) and NiX2(NHC)2 (X = SPh or Br) complexes, Frederick P. Malan, Eric Singleton, Petrus H. van Rooyen, Jeanet Conradie, Marilé Landman, Journal of Molecular Structure 1147 (2017) 235-243.

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Electrochemistry of triphenylstibine-functionalized Fischer carbine complexes of Molybdenum(0)
Armand Jansen van Rensburg, Marilé Landman, Marrigje M. Conradie, Elizabeth Erasmus, Jeanet Conradie
Electrochimica Acta 246 (2017) 897–907.

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Database-driven screening of South African  surface water and the targeted detection of pharmaceuticals using liquid chromatography - High resolution mass spectrometry
Timothy Paul Wood, Christiaan Du Preez, Adriaan Steenkamp, Cornelia Duvenage, Egmont R. Rohwer
Environmental Pollution 230 (2017) 453-462.

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Analysis of oxidised heavy paraffininc products by high temperaturecomprehensive two-dimensional gas chromatography
H. Potgieter, R. Bekker, J. Beigley, E. Rohwer
Journal of Chromatography A, 1509 (2017) 123–131.

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Addendum to ‘‘Process development for elemental recovery from PGM tailings by thermochemical treatment: Preliminary major element extraction studies using ammonium sulphate as extracting agent” [Waste Manage. 50 (2016) 334–345],
Sameera Mohamed, Elizabet M. van der Merwe, Wladyslaw Altermann, Frédéric J. Doucet
Waste Management 66 (2017) 222–224.

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Metal–Support Interaction for Metal Clusters in Oxides, E Roduner - Chapter in Book Selected fundamentals of catalysis and electrocatalysis in energy conversion reactions—A tutorial
Emil Roduner
Catalysis Today, http://dx.doi.org/10.1016/j.cattod.2017.05.091

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Comparison of sample preparation procedures on metal(loid) fractionation patterns in lichens

E.M. Kroukamp, T.W. Godeto and P.B.C. Forbes
Environ Monit Assess (2017) 189, 451.

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Comparison of a disposable sorptive sampler with thermal desorption in a gas chromatographic inlet, or in a dedicated thermal desorber, to conventional stir bar sorptive extraction-thermal desorption for the determination of micropollutants in water
Madelien Wooding, Egmont R. Rohwer, Yvette Naude
Analytica Chimica Acta 984 (2017) 107-115.

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