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208 results on '"Kays, Deborah L."'

3. Organoruthenium Complexes Containing Phosphinodicarboxamide Ligands

Author

Nolla-Saltiel, Roberto, primary, Geer, Ana M., additional, Sharpe, Helen R., additional, Huke, Cameron D., additional, Taylor, Laurence J., additional, Linford-Wood, Thomas G., additional, James, Ashleigh, additional, Allen, Jamie, additional, Lewis, William, additional, Blake, Alexander J., additional, McMaster, Jonathan, additional, and Kays, Deborah L., additional

Published
2023
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6. The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations.

Author

Musa, Arafa, Ihmaid, Saleh K., Hughes, David L., Said, Musa A., Abulkhair, Hamada S., El-Ghorab, Ahmed H., Abdelgawad, Mohamed A., Shalaby, Khaled, Shaker, Mohamed E., Alharbi, Khalid Saad, Alotaibi, Nasser Hadal, Kays, Deborah L., Taylor, Laurence J., Parambi, Della Grace Thomas, Alzarea, Sami I., Al-Karmalawy, Ahmed A., Ahmed, Hany E. A., and El-Agrody, Ahmed M.

Published
2023
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7. STERICALLY CROWDED σ- AND π-BONDED METAL ARYL COMPLEXES

Author

Martinez, Gabriel Espinosa, primary, Killion, Jack A., additional, Jackson, Bailey J., additional, Fout, Alison R., additional, Petel, Brittney E., additional, Matson, Ellen M., additional, Gridley, Benjamin M., additional, Moxey, Graeme J., additional, Kays, Deborah L., additional, Bryan, Aimee M., additional, Power, Philip P., additional, Erickson, Jeremy D., additional, Riparetti, Ryan, additional, Blundell, Toby J., additional, Ramos, Ana M. Geer, additional, Sharpe, Helen R., additional, Abraham, Mariham Y., additional, Smith, Jared C., additional, Wang, Yuzhong, additional, Robinson, Gregory H., additional, Saleh, Mahmoud, additional, Osman, Khalid, additional, Wehmschulte, Rudolf J., additional, Brennessel, William W., additional, Ellis, John E., additional, Wolf, Robert, additional, Chakraborty, Uttam, additional, Büschelberger, Philipp, additional, Rödl, Christian, additional, and Wiegel, Anne-Kathrin, additional

Published
2018
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8. The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silicomechanistic investigations

Author

Musa, Arafa, Ihmaid, Saleh K., Hughes, David L., Said, Musa A., Abulkhair, Hamada S., El-Ghorab, Ahmed H., Abdelgawad, Mohamed A., Shalaby, Khaled, Shaker, Mohamed E., Alharbi, Khalid Saad, Alotaibi, Nasser Hadal, Kays, Deborah L., Taylor, Laurence J., Parambi, Della Grace Thomas, Alzarea, Sami I., Al-Karmalawy, Ahmed A., Ahmed, Hany E. A., and El-Agrody, Ahmed M.

Abstract

AbstractTreatment options for the management of breast cancer are still inadequate. This inadequacy is attributed to the lack of effective targeted medications, often resulting in the recurrence of metastatic disorders. Cumulative evidence suggests that epidermal growth factor receptor (EGFR-TK) and cyclin-dependent kinases-9 (CDK-9) overexpression correlates with worse overall survival in breast cancer patients. Pyranopyrazole and pyrazolone are privileged options for the development of anticancer agents. Inspired by this proven scientific fact, we report here the synthesis of two new series of suggested anticancer molecules incorporating both heterocycles together with their characterization by IR, 1H NMR, 13C NMR, 13C NMR-DEPT, and X-ray diffraction methods. An attempt to get the pyranopyrazole-gold complexes was conducted but unexpectedly yielded benzylidene-2,4-dihydro-3H-pyrazol-3-one instead. This unexpected result was confirmed by X-ray crystallographic analysis. All newly synthesized compounds were assessed for their anti-proliferative activity against two different human breast cancer cells, and the obtained results were compared with the reference drug Staurosporine. The target compounds revealed variable cytotoxicity with IC50at a low micromolar range with superior selectivity indices. Target enzyme EGFR-TK and CDK-9 assays showed that compounds 22and 23effectively inhibited both biological targets with IC50values of 0.143 and 0.121 µM, respectively. Molecular docking experiments and molecular dynamics simulation were also conducted to further rationalize the in vitroobtained results.Communicated by Ramaswamy H. Sarma

Published
2023
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9. Organoruthenium Complexes Containing Hemilabile Phosphinodicarboxamide Ligands

Author

Nolla-Saltiel, Roberto, primary, Geer, Ana M., additional, Sharpe, Helen R., additional, Huke, Cameron D., additional, Taylor, Laurence J., additional, Linford-Wood, Thomas G., additional, James, Ashleigh, additional, Allen, Jamie, additional, Lewis, William, additional, Blake, Alexander J., additional, McMaster, Jonathan, additional, and Kays, Deborah L., additional

Published
2022
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13. Slow magnetic relaxation in Fe(ii) m-terphenyl complexes

Author

Valentine, Andrew J., primary, Geer, Ana M., additional, Blundell, Toby J., additional, Tovey, Will, additional, Cliffe, Matthew J., additional, Davies, E. Stephen, additional, Argent, Stephen P., additional, Lewis, William, additional, McMaster, Jonathan, additional, Taylor, Laurence J., additional, Reta, Daniel, additional, and Kays, Deborah L., additional

Published
2022
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21. Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions

Author

Mangham, Barry, Hanson-Heine, Magnus W. D., Davies, E. Stephen, Wriglesworth, Alisdair, George, Michael W., Lewis, William, Kays, Deborah L., McMaster, Jonathan, Besley, Nicholas A., and Champness, Neil R.

Subjects
General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract

This journal is © the Owner Societies. A strategy to create organic molecules with high degrees of radical spin multiplicity is reported in which molecular design is correlated with the behaviour of radical anions in a series of BODIPY dyads. Upon reduction of each BODIPY moiety radical anions are formed which are shown to have different spin multiplicities by electron paramagnetic resonance (EPR) spectroscopy and distinct profiles in their cyclic voltammograms and UV-visible spectra. The relationship between structure and multiplicity is demonstrated showing that the balance between singlet, biradical or triplet states in the dyads depends on relative orientation and connectivity of the BODIPY groups. The strategy is applied to the synthesis of a BODIPY triad which adopts an unusual quartet state upon reduction to its radical trianion.

Published
2020

30. A monomeric, heterobimetallic complex with an unsupported Mg?Fe bond

Author

Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William, and Kays, Deborah L.

Subjects
Density functional calculations, N ligands, Iron, Magnesium, Metal-metal interactions
Abstract

The phosphinimine, trimethylsilyl-substituted BIPM ligand [BIPM = bis(iminophosphorano)methanide] has been used to stabilise CH(Ph2PNSiMe3)2MgFe(?5-C5H5)(CO)2 (1), which is a structurally authenticated complex exhibiting a direct, unsupported bond between an alkaline earth metal and a transition metal. The FTIR-measured carbonyl stretching frequencies for this complex suggest that there is a polarisation of charge from the transition metal fragment to the magnesium centre. The presence of a polar metal-metal bond in 1 is confirmed by DFT calculations, which suggest that the Mg?Fe bond is predominantly ionic in nature.

Published
2017

33. Differing coordination environments in transition metal derivatives of 1,8-bis(silylamido)naphthalene ligands

Author

Blake, Alexander J., Gillibrand, Nicola L., Moxey, Graeme J., and Kays, Deborah L.

Subjects
Naphthalene -- Chemical properties, Naphthalene -- Structure, Silicon compounds -- Chemical properties, Silicon compounds -- Structure, Tetrahydrofuran -- Chemical properties, Tetrahydrofuran -- Structure, Zinc compounds -- Chemical properties, Zinc compounds -- Structure, Chemistry
Published
2009

34. Synthesis and isolation of [[Fe@[Ge.sub.10]].sup.3-]: a pentagonal prismatic Zintl ion cage encapsulating an interstitial iron atom

Author

Binbin Zhou, Denning, Mark S., Kays, Deborah L., and Goicoechea, Jose M.

Subjects
Diazo compounds -- Chemical properties, Diazo compounds -- Structure, Ethylenediamines -- Chemical properties, Germanium -- Chemical properties, Germanium -- Atomic properties, Iron alloys -- Chemical properties, Iron alloys -- Structure, Organometallic compounds -- Chemical properties, Organometallic compounds -- Structure, Chemistry
Abstract

The reaction of an ethylenediamine (en) solution of the Zintl phase precursor [K.sub.4][Ge.sub.9] with Fe[Ar.sub.2] (Ar = 2,6-[Mes.sub.2][C.sub.6][H.sub.3]) in the presence of 2,2,2-crypt (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane) has produced the endohedral Zintl ion [[Fe@[Ge.sub.10]].sup.3-]. The Zintl ion has displayed a pentagonal prismatic 10-atom germanium cage with an interstitial iron atom in the central cavity.

Published
2009

35. Alkaline earth complexes of a sterically demanding guanidinate ligand

Author

Moxey, Graeme J., Blake, Alexander J., Lewis, William, and Kays, Deborah L.

Abstract

The synthesis of the guanidine MesN{C(NCy2)}N(H)Mes (LH; Mes = 2,4,6-Me3C6H2, Cy = cyclohexyl), and its use as a proligand for the synthesis of alkaline earth metal complexes are reported. Described herein are (i) an unusual Hauser base cubane, (ii) a homoleptic and a base-stabilized magnesium complex featuring the same guanidinate ligands, and (iii) the comparison of a series of alkaline earth (Mg, Ca, Sr, Ba) bis(guanidinate) complexes, which allows the opportunity to compare the changing trends in bonding as the Group is descended. The reaction between LH and MeMgI(OEt2)2 yields the Hauser base as a mixture of the tetramer [Mg4L4(μ3-I)4] (1a) and dimer [Mg2L2(μ-I)2(OEt2)2] (1b), and the reaction with two equivalents of MgnBu2 leads to the formation of four-coordinate [MgL2] (2), which features a square-planar geometry for the magnesium cation, or five-coordinate [MgL2(THF)] (3), depending on the solvent used. 1a is the first crystallographically-characterized cubane structure to consist of four LAeX (L = ligand, X = halide) units. The complexes [AeL2(THF)2] (Ae = Ca, 4; Ae = Sr, 5) and [BaL2] (6) were synthesized via redox transmetallation/ligand exchange reactions. Complex 6 is the first example of a homoleptic, monomeric barium complex of the NCN ligand family, with the structure stabilized by a number of barium-arene interactions in the solid state.

Published
2015

41. Tuning coordination in s-block carbazol-9-Yl complexes

Author

Ortu, Fabrizio, Moxey, Graeme J., Blake, Alexander J., Lewis, William, and Kays, Deborah L.

Abstract

© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. 1,3,6,8-Tetra-tert-butylcarbazol-9-yl and 1,8-diaryl-3,6-di(tert-butyl)carbazol-9-yl ligands have been utilized in the synthesis of potassium and magnesium complexes. The potassium complexes (1,3,6,8-tBu4carb)K(THF)4 (1; carb=C12H4N), [(1,8-Xyl2-3,6-tBu2carb)K(THF)]2 (2; Xyl=3,5-Me2C6H3) and (1,8-Mes2-3,6-tBu2carb)K(THF)2 (3; Mes=2,4,6-Me3C6H2) were reacted with MgI2 to give the Hauser bases 1,3,6,8-tBu4carbMgI(THF)2 (4) and 1,8-Ar2-3,6-tBu2carbMgI(THF) (Ar=Xyl 5, Ar=Mes 6). Structural investigations of the potassium and magnesium derivatives highlight significant differences in the coordination motifs, which depend on the nature of the 1- and 8-substituents: 1,8-di(tert-butyl)-substituted ligands gave π-type compounds (1 and 4), in which the carbazolyl ligand acts as a multi-hapto donor, with the metal cations positioned below the coordination plane in a half-sandwich conformation, whereas the use of 1,8-diaryl substituted ligands gave σ-type complexes (2 and 6). Space-filling diagrams and percent buried volume calculations indicated that aryl-substituted carbazolyl ligands offer a steric cleft better suited to stabilization of low-coordinate magnesium complexes.

Published
2015

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