Article
Chemistry, Multidisciplinary
Michael A. Jinks, Mark Howard, Federica Rizzi, Stephen M. Goldup, Andrew D. Burnett, Andrew J. Wilson
Summary: In this study, a rapid NMR experiment for direct detection of hydrogen bonds in solution was introduced. This method provides a straightforward way to determine hydrogen bonding in multicomponent mixtures, enabling the establishment of tautomeric configuration, conformation, and resolution of self-sorted speciation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Inorganic & Nuclear
Joshua J. Woods, Jesse A. Spivey, Justin J. Wilson
Summary: The synthesis and characterization of the N-15-labeled analogue of the mitochondrial calcium uptake inhibitor Ru265 was reported. The reactivity of Ru265 towards biologically relevant small molecules was assessed, revealing its ability to form coordination bonds. Time-based studies suggest that hydrogen-bonding interactions may play a more significant role in mediating the inhibitory properties of this complex.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Valeria Lagostina, Fabio Carniato, David Esteban-Gomez, Carlos Platas-Iglesias, Mario Chiesa, Mauro Botta
Summary: In this study, the magnetic and relaxation properties of a series of oxovanadium(IV) complexes were investigated. The complexes include [VO(H2O)5]2+, [VO(ox)2]2-, [VO(nta)]-, [VO(dtpa)] 3-, and [VO(acac)2]. The complexes were characterized using EPR measurements and NMRD studies. The results showed differences in the relaxation times and coordination behavior of [VO(acac)2]. The NMRD profiles had contributions from outer- and inner-sphere mechanisms, with the latter including dipolar and scalar mechanisms. The analysis provided information on the exchange rate of coordinated water molecules.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Physical
Jacqueline Tognetti, W. Trent Franks, Jozef R. Lewandowski, Steven P. Brown
Summary: This study demonstrates enhanced decoupling in H-1 magic-angle spinning solid-state NMR, as well as good performance of windowed decoupling in H-1 spin-echo experiments. The findings have implications for N-15-H-1 cross polarization experiments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Alexander A. Marchione, Elizabeth L. Diaz
Summary: This article presents variants of the heteronuclear multiple quantum coherence (HMQC) experiment in which only H-1 -C-13 pairs that interact with a F-19 nucleus report. Two versions of the experiment are described, one focusing on scalar coupling between H-1 and F-19 and the other on nuclear Overhauser effect-based interactions between H-1 and F-19. The experiment can reveal directly bound H-1-C-13 pairs or longer range H-1-C-13 correlations. Example spectra of trifluorotoluene and two complex pharmaceutical molecules are shown.
JOURNAL OF FLUORINE CHEMISTRY
(2022)
Article
Chemistry, Analytical
Runlian Qu, Lu Shan, Qun Sun, Yao Wei, Pengchi Deng, Xiandeng Hou
Summary: A simple, fast, and green method has been established to quantitatively detect isotope labelled compounds in biology and pharmacy using a novel H-1 Nuclear Magnetic Resonance (H-1-NMR) technique. This method removes the coupling between nearby H-1 and C-13, N-15, simplifying the spectrum and enhancing the signal intensity, allowing for the quantitative detection of real polypeptide samples.
Article
Chemistry, Multidisciplinary
Zhouyang Huang, A. Paden King, James Lovett, Barry Lai, Joshua J. Woods, Hugh H. Harris, Justin J. Wilson
Summary: The photophysical and photochemical properties of two Pt(iv)Re(i) conjugates were studied and found to exhibit modest photocytotoxicity against ovarian cancer cells. X-ray fluorescence microscopy revealed colocalization of Pt and Re in cells, whether or not they had been irradiated. This work highlights the potential of photoactivated multilimetallic agents for cancer treatment.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Juan Sanchez-Camacho, Sonia Infante-Tadeo, Ana C. Carrasco, Stefano Scoditti, A'lvaro Martinez, Fabienne Barroso-Bujans, Emilia Sicilia, Ana M. Pizarro, Luca Salassa
Summary: In this study, two new asymmetric Pt(IV) derivatives were designed and synthesized, which could be effectively activated into toxic Pt(II) species by incubation with nicotinamide adenine dinucleotide, sodium ascorbate, and glutathione in the dark and under light irradiation. One of the derivatives displayed enhanced toxicity in MDA-MB-231 breast cancer cells preincubated with ascorbate, suggesting selective triggering of oxaliplatin generation through redox activation. Covalent binding of the flavin to the Pt complex was shown to be pivotal for this effect.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Coral Mycroft, Mathias Nilsson, Gareth A. Morris, Laura Castanar
Summary: A general pure shift method is presented for obtaining ultra-high resolution H-1 NMR spectra by suppressing both homonuclear and heteronuclear J-couplings. Its usefulness is demonstrated in the analysis of fluorine- and phosphorus-containing compounds of pharmaceutical and biochemical interest.
Article
Chemistry, Physical
Mario Chizzini, Luca Crippa, Luca Zaccardi, Emilio Macaluso, Stefano Carretta, Alessandro Chiesa, Paolo Santini
Summary: Molecular spin systems are a promising platform for quantum computing due to their ability to be manipulated coherently at many levels. This study compares the implementation of a spin qudit-based code on different molecules, showing that pulse-shaping techniques can improve the effective phase memory time and reduce decoherence. The simulation also demonstrates the implementation of single-qubit operations on encoded states.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Pharmacology & Pharmacy
Yvonne Lerchbammer-Kreith, Nadine S. Sommerfeld, Klaudia Cseh, Xian Weng-Jiang, Uchechukwu Odunze, Andreas G. Schaetzlein, Ijeoma F. Uchegbu, Mathea S. Galanski, Michael A. Jakupec, Bernhard K. Keppler
Summary: A new class of anticancer prodrugs was developed by combining platinum(IV) complexes with glycol chitosan polymers as drug carriers. The platinum(IV) complexes were synthesized and conjugated with degraded glycol chitosan (dGC) polymers of different chain lengths. These conjugates exhibited higher cytotoxicity and antiproliferative activity in cancer cell lines compared to platinum(IV) counterparts. In particular, a cisplatin(IV)-dGC conjugate showed the highest cytotoxicity, being 33 times more potent than the corresponding platinum(IV) complex and twice as potent as cisplatin. Biodistribution studies of an oxaliplatin(IV)-dGC conjugate also showed increased accumulation in the lung, suggesting potential for further activity studies.
Article
Biochemistry & Molecular Biology
Ruchika Ojha, Peter C. Junk, Alan M. Bond, Glen B. Deacon
Summary: Pt-IV coordination complexes were synthesized by oxidizing the antitumor agent [Pt-II(p-BrC6F4)NCH2CH2NEt2}Cl(py)]. Experimental data showed that excess H2O2 and elevated temperature favored the oxidation of the ligand, while a smaller amount of H2O2 at room temperature favored the oxidation of the metal, resulting in the formation of platinum(IV) complexes.
Article
Energy & Fuels
Stef Ghysels, Jan Verwaeren, Hero Jan Heeres, Leon Rohrbach, Simon Backx, Sven Mangelinckx, Frederik Ronsse
Summary: Pyrolysis liquids are difficult to analyze comprehensively due to their complex and heterogeneous composition. The use of two-dimensional 1H-13C heteronuclear single-quantum correlation (HSQC) nuclear magnetic resonance (NMR) has gained renewed interest for quantitative recording, providing a valuable tool for fingerprinting and assessing these complex liquids. However, data analysis of 1H-13C HSQC spectra has been lacking behind recent experimental developments. This study explores and demonstrates a new approach for automated data analysis from 1H-13C HSQC spectra using image processing tools.
Article
Energy & Fuels
Stef Ghysels, Jan Verwaeren, Hero Jan Heeres, Leon Rohrbach, Simon Backx, Sven Mangelinckx, Frederik Ronsse
Summary: This article explores the use of image processing tools for automatic analysis of H-1-C-13 HSQC spectra, demonstrating its effectiveness.
Article
Chemistry, Organic
Daisuke Unabara, Masaki Nishijima
Summary: This Note describes the successful structural assignment of a proton-deficient nucleic acid analogue using the LR-HSQMBC technique, which is a 2D NMR method for detecting weak C-H spin couplings. Azathioprine, an immunosuppressant drug, was used as the target compound. The LR-HSQMBC measurements revealed the presence of covalent bonds between the purine and imidazole rings with good sensitivity.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Biochemical Research Methods
Lina Di Marco, Jenny Z. Zhang, John Doan, Byung J. Kim, Natsuho Yamamoto, Nicole S. Bryce, Trevor W. Hambley
BIOCONJUGATE CHEMISTRY
(2019)
Article
Chemistry, Inorganic & Nuclear
Anil Kumar Gorle, Premraj Rajaratnam, Chih-Wei Chang, Mark von Itzstein, Susan J. Berners-Price, Nicholas P. Farrell
INORGANIC CHEMISTRY
(2019)
Review
Chemistry, Inorganic & Nuclear
Anil K. Gorle, Susan J. Berners-Price, Nicholas P. Farrell
INORGANICA CHIMICA ACTA
(2019)
Article
Biochemistry & Molecular Biology
Jun Hui Sze, Prahlad V. Raninga, Kyohei Nakamura, Mika Casey, Kum Kum Khanna, Susan J. Berners-Price, Giovanna Di Trapani, Kathryn F. Tonissen
Article
Chemistry, Inorganic & Nuclear
Johanna M. Gretarsdottir, Sigridur Jonsdottir, William Lewis, Trevor W. Hambley, Sigridur G. Suman
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Medicinal
Alexandra Glenister, Catherine K. J. Chen, David J. Paterson, Anna K. Renfrew, Michela Simone, Trevor W. Hambley
Summary: A glucose-based vector conjugated to a tris(methylpyridyl)amine ligand is described for generating targeted chaperone and caging complexes for active anticancer agents. The ligand inhibits hexokinase in cells, showing potential for phosphorylation and targeting cancer cells. The Co(III) complex incorporating this ligand demonstrates glucose-dependent cellular accumulation and potential for targeted delivery of highly toxic anticancer agents.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Anil K. Gorle, Alpeshkumar K. Malde, Chih-Wei Chang, Premraj Rajaratnam, Mark von Itzstein, Susan J. Berners-Price, Nicholas P. Farrell
Summary: [H-1, N-15] HSQC 2D NMR spectroscopy was used to study the aquation and subsequent coordinate covalent binding of the trinuclear clinical agent triplatin with two disaccharides, GlcNS(6S)-GlcA and GlcNS(6S)-IdoA(2S). The rate constant for sulfate displacement of the aqua ligand is higher than that for carboxylate displacement. Molecular dynamics calculations suggest that extra hydrogen-bonding interactions with the more sulfated disaccharide may prevent or diminish sulfate binding of the triplatin moiety.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Anthony T. S. Lo, Jon K. Chen, Vincent Murray, Matthew H. Todd, Trevor W. Hambley
Summary: Complexes incorporating a threading anthraquinone intercalator with pyrrole lexitropsin and platinum(ii) moieties attached were developed to explore novel DNA binding modes, targeting AT-rich regions for high cytotoxicities. The binding of the complexes to DNA showed similar cytotoxic profiles to cisplatin, indicating platinum binding dominated sequence selectivity, while pyrrole lexitropsin slowed intercalation. Evaluation of DNA unwinding profiles post-platinum binding suggested concurrent intercalation and platinum binding.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Benjamin Bailly, Anil K. Gorle, Larissa Dirr, Alpeshkumar K. Malde, Nicholas P. Farrell, Susan J. Berners-Price, Mark von Itzstein
Summary: TriplatinNC is an antiviral agent that protects cells from viral entry by forming adducts with cell-surface glycosaminoglycans, opening new directions for metalloshielding antiviral drug development.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Anil K. Gorle, Thomas Haselhorst, Samantha J. Katner, Arun Everest-Dass, James D. Hampton, Erica J. Peterson, Jennifer E. Koblinski, Eriko Katsuta, Kazuaki Takabe, Mark von Itzstein, Susan J. Berners-Price, Nicholas P. Farrell
Summary: The 1:1 adduct of the pentasaccharide Fondaparinux and the substitution-inert polynuclear platinum complex TriplatinNC was found to modulate the geometry around glycosidic linkages, potentially inhibiting heparan sulfate cleavage in breast cancer cells and metastasis in an animal model. This study provides insights into a novel approach for designing platinum drugs with intrinsic anti-metastatic potential.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Biochemistry & Molecular Biology
Catherine K. J. Chen, Xiao Gui, Peter Kappen, Anna K. Renfrew, Trevor W. Hambley
Article
Chemistry, Inorganic & Nuclear
Catherine K. J. Chen, Peter Kappen, Dan Gibson, Trevor W. Hambley
DALTON TRANSACTIONS
(2020)
Article
Chemistry, Inorganic & Nuclear
Anil K. Gorle, Junyong Zhang, Susan J. Berners-Price, Nicholas P. Farrell
DALTON TRANSACTIONS
(2019)
Article
Biochemistry & Molecular Biology
Catherine K. J. Chen, Peter Kappen, Trevor W. Hambley
Article
Chemistry, Multidisciplinary
Raphael E. F. de Paiva, Erica J. Peterson, Jaroslav Malina, Mary Zoepfl, J. David Hampton, Wyatt E. Johnson, Angelica Graminha, Amine Ourahmane, Michael A. McVoy, Viktor Brabec, Susan J. Berners-Price, Nicholas P. Farrell
Summary: Werner's Complex, a cationic coordination complex, exhibits high affinity to GAGs and nucleic acids, inhibiting cellular invasion and migration and serving as an efficient condensing agent for DNA and tRNA. It also displays antiviral activity against HCMV with promising selectivity. The unprecedented properties of this compound are driven by non-covalent hydrogen-bonding and electrostatic interactions, opening new avenues of research.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)