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Synthesis, Characterization, and Impact of Water on the Stability of Postmodified Schiff Base Containing Metal–Organic Frameworks (2023)
Journal Article
Radnović, N. D., Hawes, C. S., Kordić, B. B., Bogdanović, M. G., Barta Holló, B., Radanović, M. M., …Rodić, M. V. (in press). Synthesis, Characterization, and Impact of Water on the Stability of Postmodified Schiff Base Containing Metal–Organic Frameworks. Inorganics, 11(11), Article 432. https://doi.org/10.3390/inorganics11110432

In this study, the synthesis of a Schiff base containing metal–organic frameworks (MOFs) of the UiO-67 family has been investigated. MOFs featuring free amine groups were successfully synthesized under mild solvothermal conditions using 2-amino-[1,1′... Read More about Synthesis, Characterization, and Impact of Water on the Stability of Postmodified Schiff Base Containing Metal–Organic Frameworks.

Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole- N -oxide † (2023)
Journal Article
Wood, O. G., Jones, L., & Hawes, C. S. (in press). Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole- N -oxide †. CrystEngComm, 25(45), 6371-6378. https://doi.org/10.1039/d3ce00985h

Ligands capable of simultaneous metal coordination and hydrogen bond donation provide useful structural features to enhance cooperativity and favour specific geometries within the coordination sphere. Here we present the first structurally characteri... Read More about Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole- N -oxide †.

Ligands containing 7-azaindole functionality for inner-sphere hydrogen bonding: structural and photophysical investigations (2023)
Journal Article
Coles, A., Wood, O., & Hawes, C. (2023). Ligands containing 7-azaindole functionality for inner-sphere hydrogen bonding: structural and photophysical investigations. Journal of the Serbian Chemical Society, 88(12), 1223-1236. https://doi.org/10.2298/jsc230623061c

The synthesis, structural analysis and spectroscopic characterisation of three new 7-azaindole ligands is reported, alongside a novel 7-azaindole derived coordination polymer, with the aim of identifying new bridging ligands containing inner-sphere h... Read More about Ligands containing 7-azaindole functionality for inner-sphere hydrogen bonding: structural and photophysical investigations.

Potent antimicrobial effect induced by disruption of chloride homeostasis (2023)
Journal Article
Brennan, L. E., Kumawat, L. K., Piatek, M. E., Kinross, A. J., McNaughton, D. A., Marchetti, L., …Elmes, R. B. (in press). Potent antimicrobial effect induced by disruption of chloride homeostasis. Chem, 9(11), 3138-3158. https://doi.org/10.1016/j.chempr.2023.07.014

Artificial transmembrane ion transporters have proposed applicability to medicinal chemistry, where perturbation of normal cellular homeostasis has already been shown to induce apoptosis in mammalian cells; however, this effect has not been observed... Read More about Potent antimicrobial effect induced by disruption of chloride homeostasis.

Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies (2023)
Journal Article
Hawes, C. S., Chilton, N. F., Moubaraki, B., Knowles, G. P., Chaffee, A. L., Murray, K. S., …Turner, D. R. (in press). Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies. Dalton Transactions, 44(40), 17494-17507. https://doi.org/10.1039/c5dt02323h

The synthesis and structural, magnetic and gas adsorption properties of a series of coordination polymer materials prepared from a new, highly flexible and internally functional tetrakis-carboxybenzyl ligand H4L derived from 1,2-diaminoethane have be... Read More about Coordination polymers from a highly flexible alkyldiamine-derived ligand: structure, magnetism and gas adsorption studies.

Chemical Diversification of Carbocyclic Fluorinated Pyrimidine Nucleosides: Introducing 2'-Arabino Analogues and Ring Unsaturation (2023)
Journal Article
Benckendorff, C. M. M., Hawes, C. S., Smith, M., & Miller, G. J. (2023). Chemical Diversification of Carbocyclic Fluorinated Pyrimidine Nucleosides: Introducing 2'-Arabino Analogues and Ring Unsaturation. SYNLETT, 35(06), 659-664. https://doi.org/10.1055/a-2079-9310

Analogues of the canonical nucleosides have a longstanding presence and proven capability within medicinal chemistry and drug-discovery research. Herein, we report chemical diversification of carbocyclic pyrimidine nucleosides containing CF2 and CHF... Read More about Chemical Diversification of Carbocyclic Fluorinated Pyrimidine Nucleosides: Introducing 2'-Arabino Analogues and Ring Unsaturation.

Synthesis of α-amino acid derived (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligands and their corresponding luminescent Tb(iii) complexes (2023)
Journal Article
Hegarty, I. N., Hawes, C. S., & Gunnlaugsson, T. (2023). Synthesis of α-amino acid derived (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligands and their corresponding luminescent Tb(iii) complexes. Organic Chemistry Frontiers, 10(8), 1915-1926. https://doi.org/10.1039/D3QO00232B

The synthesis of chiral a-amino acid derived (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligands 4-6 designed by combining the coordination properties of two well-known ligand structures within a single unit is described. The self-assembly formation bet... Read More about Synthesis of α-amino acid derived (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligands and their corresponding luminescent Tb(iii) complexes.

Fused aza-heterocyclic ligands: expanding the MOF chemist's toolbox (2022)
Journal Article
Wood, O. G., & Hawes, C. S. (2022). Fused aza-heterocyclic ligands: expanding the MOF chemist's toolbox. CrystEngComm, 24(47), 8197-8207. https://doi.org/10.1039/d2ce01475k

Azolate-containing ligands have played an important role in the development of water-stable metal-organic frameworks (MOFs) and related materials due to their particularly strong bonding with earth-abundant first row transition metal ions. Fused ring... Read More about Fused aza-heterocyclic ligands: expanding the MOF chemist's toolbox.

Supramolecular structural influences from remote functionality in coordination complexes of 4-picolylamine ligands (2022)
Journal Article
Slyusarchuk, V. D., O’Brien, B. J., & Hawes, C. S. (in press). Supramolecular structural influences from remote functionality in coordination complexes of 4-picolylamine ligands. Journal of Coordination Chemistry, 75(15-16), 2039-2061. https://doi.org/10.1080/00958972.2022.2130059

Supramolecular structural influences from remote functionality in coordination complexes of 4-picolylamine ligands

Synthesis of C6-modified mannose 1-phosphates and evaluation of derived sugar nucleotides against GDP-mannose dehydrogenase. (2022)
Journal Article
Ahmadipour, S., Wahart, A., Dolan, J., Beswick, L., Hawes, C., Field, R., & Miller, G. (2022). Synthesis of C6-modified mannose 1-phosphates and evaluation of derived sugar nucleotides against GDP-mannose dehydrogenase. Beilstein Journal of Organic Chemistry, 18, 1379 - 1384. https://doi.org/10.3762/bjoc.18.142

Sufferers of cystic fibrosis are at significant risk of contracting chronic bacterial lung infections. The dominant pathogen in these cases is mucoid Pseudomonas aeruginosa. Such infections are characterised by overproduction of the exopolysaccharide... Read More about Synthesis of C6-modified mannose 1-phosphates and evaluation of derived sugar nucleotides against GDP-mannose dehydrogenase..

A Reversibly Porous Supramolecular Peptide Framework** (2022)
Journal Article
Brightwell, D. F., Truccolo, G., Samanta, K., Fenn, E. J., Holder, S. J., Shepherd, H. J., …Palma, A. (2022). A Reversibly Porous Supramolecular Peptide Framework**. Chemistry - A European Journal, 28(66), https://doi.org/10.1002/chem.202202368

The ability to use bio‐inspired building blocks in the assembly of novel supramolecular frameworks is at the forefront of an exciting research field. Herein, we present the first polyproline helix to self‐assemble into a reversibly porous, crystallin... Read More about A Reversibly Porous Supramolecular Peptide Framework**.

An investigation into the coordination chemistry of tripodal “click” triazole ligands with Mn, Ni, Co and Zn ions (2022)
Journal Article
Chernobryva, M., Motevalli, M., Hawes, C. S., & Watkinson, M. (2022). An investigation into the coordination chemistry of tripodal “click” triazole ligands with Mn, Ni, Co and Zn ions. Journal of Molecular Structure, 1259, 132736 - 132736. https://doi.org/10.1016/j.molstruc.2022.132736

The steric influences of the triazole side chains in two tripodal chelating ligands tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine (TBTA) and tris[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amine (TPTA) are explored through structural studies of four... Read More about An investigation into the coordination chemistry of tripodal “click” triazole ligands with Mn, Ni, Co and Zn ions.

Crystal engineering studies of a series of pyridine-3,5-dicarboxamide ligands possessing alkyl ester arms, and their coordination chemistry (2022)
Journal Article
Lynes, A. D., Lovitt, J. I., Rotella, C., Boland, J. J., Gunnlaugsson, T., & Hawes, C. S. (2022). Crystal engineering studies of a series of pyridine-3,5-dicarboxamide ligands possessing alkyl ester arms, and their coordination chemistry. Results in Chemistry, 4, Article ARTN 100679. https://doi.org/10.1016/j.rechem.2022.100679

Five pyridine-3,5-dicarboxamide, 3,5-pda, ligands were synthesised and characterised. All of these ligands possess pendant arms with terminal carboxylic esters. The crystal structures of several of these ligands were obtained, these demonstrating var... Read More about Crystal engineering studies of a series of pyridine-3,5-dicarboxamide ligands possessing alkyl ester arms, and their coordination chemistry.

Tripodal 1,3,5-benzenetricarboxamide ligand with dipicolinic acid units and its binding with Eu(III) ions (2022)
Journal Article
Klangwart, N., Ruijs, C., Hawes, C. S., Gunnlaugsson, T., & Kotova, O. (2022). Tripodal 1,3,5-benzenetricarboxamide ligand with dipicolinic acid units and its binding with Eu(III) ions. Supramolecular Chemistry, 34(1), 10-19. https://doi.org/10.1080/10610278.2023.2177162

The synthesis and characterisation of tripodal ligand 1 containing 1,3,5-benzenetricarboxamide core and diethyl 4-(phenylethynyl)pyridine-2,6-dicarboxylate is described. The crystal structure of the intermediate tripodal molecule 7 exhibits an unusua... Read More about Tripodal 1,3,5-benzenetricarboxamide ligand with dipicolinic acid units and its binding with Eu(III) ions.

Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines (2021)
Journal Article
Swarbrook, A. M., Weekes, R. J., Goodwin, J. W., & Hawes, C. S. (2022). Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines. Dalton Transactions, 51(3), 1056-1069. https://doi.org/10.1039/d1dt04007c

Fused-ring pyrazoles offer a versatile platform for derivitization to give finely tuned and functional ligands in coordination assemblies. Here, we explore the pyrazolo[4,3-b]pyridine (HL1) and pyrazolo[3,4-c]pyridine (HL2) backbones and their N-subs... Read More about Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines.

Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs (2021)
Journal Article
Slyusarchuk, V. D., & Hawes, C. S. (2022). Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs. CrystEngComm, 24(3), 484-490. https://doi.org/10.1039/d1ce01542g

Spiro[3.3]heptane-2,6-dicarboxylic acid (Fecht's acid, H2SHDC) is examined as a non-aromatic terephthalic acid isostere for the first time. The rigid spirocyclic backbone provides greater steric bulk than conventional aromatic dicarboxylates with con... Read More about Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs.

Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues. (2021)
Journal Article
Guinan, M., Huang, N., Hawes, C. S., Lima, M. A., Smith, M., & Miller, G. J. (2021). Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues. Organic and Biomolecular Chemistry, 20(7), 1401-1406. https://doi.org/10.1039/d1ob02097h

Analogues of the canonical nucleosides required for nucleic acid synthesis have a longstanding presence and proven capability within antiviral and anticancer research. 4'-Thionucleosides, that incorporate bioisosteric replacement of furanose oxygen w... Read More about Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues..

Squaramide‐Based Self‐Associating Amphiphiles for Anion Recognition (2021)
Journal Article
Kumawat, L. K., Wynne, C., Cappello, E., Fisher, P., Brennan, L. E., Strofaldi, A., …Elmes, R. B. P. (2021). Squaramide‐Based Self‐Associating Amphiphiles for Anion Recognition. ChemPlusChem, 86(8), 1058-1068. https://doi.org/10.1002/cplu.202100275

The synthesis and characterisation of two novel self‐assembled amphiphiles (SSAs) SQS‐1 and SQS‐2 are reported. Both compounds, based on the squaramide motif, were fully soluble in a range of solvents and were shown to undergo self‐assembly through a... Read More about Squaramide‐Based Self‐Associating Amphiphiles for Anion Recognition.

Coordination Sphere Hydrogen Bonding as a Structural Element in Metal-Organic Frameworks (2021)
Journal Article
Hawes, C. S. (2021). Coordination Sphere Hydrogen Bonding as a Structural Element in Metal-Organic Frameworks. Dalton Transactions, 50(18), 6034-6049. https://doi.org/10.1039/d1dt00675d

In the design of new metal–organic frameworks, the constant challenges of framework stability and structural predictability continue to influence ligand choice in favour of well-studied dicarboxylates and similar ligands. However, a small subset of k... Read More about Coordination Sphere Hydrogen Bonding as a Structural Element in Metal-Organic Frameworks.