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Synthesis, anti-diabetic profiling and molecular docking studies of 2-(2- arylidenehydrazinyl)thiazol-4(5H)-ones (2024)
Journal Article
Mehmood, H., Haroon, M., Akhtar, T., Woodward, S., Haq, S., & Alshehri, S. M. (2024). Synthesis, anti-diabetic profiling and molecular docking studies of 2-(2- arylidenehydrazinyl)thiazol-4(5H)-ones. Future Medicinal Chemistry, 16(12), 1255-1266

Aims: To synthesize novel more potent anti-diabetic agents. Methodology: A simple cost effective Hantzsch's synthetic strategy was used to synthesize 2-(2-arylidenehydrazinyl)thiazol-4(5H)-ones. Results: Fifteen new 2-(2-arylidenehydrazinyl)thiazol-4... Read More about Synthesis, anti-diabetic profiling and molecular docking studies of 2-(2- arylidenehydrazinyl)thiazol-4(5H)-ones.

Synthesis of Substituted Arylidene Hydrazinyl Trifluoromethyl Thiazole Derivatives and their Antibacterial Studies using different Genes Expression (2024)
Journal Article
Abed, A. A., Adnan Abid, M., Turki, A., Haroon, M., Mehmood, H., Akhtar, T., & Woodward, S. (2024). Synthesis of Substituted Arylidene Hydrazinyl Trifluoromethyl Thiazole Derivatives and their Antibacterial Studies using different Genes Expression. ChemistrySelect, 9(17), Article e202401206. https://doi.org/10.1002/slct.202401206

Cyclization of substituted thiosemicarbazones with 3-bromo-1,1,1-trifluoroacetone affords new 2-(arylidenehydrazinyl)-4-trifluoromethylthiazoles (3 a–m, 13 examples, 71–89 %). These compounds were synthesized in two steps and characterized using 1H-,... Read More about Synthesis of Substituted Arylidene Hydrazinyl Trifluoromethyl Thiazole Derivatives and their Antibacterial Studies using different Genes Expression.

Probing the Mechanism of Action of Bis(phenolato) Amine (ONO Donor Set) Titanium(IV) Anticancer Agents (2024)
Journal Article
Musa, M., Abid, M., Bradshaw, T. D., Boocock, D. J., Coveney, C., Argent, S. P., & Woodward, S. (2024). Probing the Mechanism of Action of Bis(phenolato) Amine (ONO Donor Set) Titanium(IV) Anticancer Agents. Journal of Medicinal Chemistry, 67(4), 2732-2744. https://doi.org/10.1021/acs.jmedchem.3c01874

The need for anticancer therapies that overcome metallodrug resistance while minimizing adverse toxicities is targeted, herein, using titanium coordination complexes. Octahedral titanium­(IV) trans, mer-[Ti­{R1N­(CH2–2-MeO-4-R1-C6H2)2}2] [R1 = Et, al... Read More about Probing the Mechanism of Action of Bis(phenolato) Amine (ONO Donor Set) Titanium(IV) Anticancer Agents.

Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties (2023)
Journal Article
Duan, Z., Phillips, J., Liirò-Peluso, L., Woodward, S., Makarovsky, O., Weir, M. P., …Amabilino, D. B. (2023). Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties. Materials Advances, 4(22), 5573-5584. https://doi.org/10.1039/d3ma00547j

The preparation and properties of conducting polymers comprising poly(3,4-ethylenedioxythiophene) (PEDOT) and two types of carrageenan – each on their own or combined – as counter-ions are described. The aim of the work is to provide alternative, mor... Read More about Conducting poly(3,4-ethylenedioxythiophene) materials with sustainable carrageenan counter-ions and their thermoelectric properties.

A Soluble ‘Ba(Ni-ett)’ (ett = 1,1,2,2-Ethenetetrathiolate) Derived Thermoelectric Material (2023)
Journal Article
Hu, Y., Rivers, G., Weir, M. P., Amabilino, D. B., Tuck, C. J., Wildman, R. D., …Woodward, S. (2023). A Soluble ‘Ba(Ni-ett)’ (ett = 1,1,2,2-Ethenetetrathiolate) Derived Thermoelectric Material. Electronic Materials Letters, https://doi.org/10.1007/s13391-023-00454-z

We describe the synthesis and characterisation of the first of a new class of soluble ladder oligomeric thermoelectric material based on previously unutilised ethene-1,1,2,2-tetrasulfonic acid. Reaction of Ba(OH)2 and propionic acid at a 1:1 stoichio... Read More about A Soluble ‘Ba(Ni-ett)’ (ett = 1,1,2,2-Ethenetetrathiolate) Derived Thermoelectric Material.

ML meets MLn: machine learning in ligand promoted homogeneous catalysis (2023)
Journal Article
Hirst, J. D., Boobier, S., Coughlan, J., Streets, J., Jacob, P. L., Pugh, O., …Woodward, S. (2023). ML meets MLn: machine learning in ligand promoted homogeneous catalysis. Artificial Intelligence Chemistry, 1(2), Article 100006. https://doi.org/10.1016/j.aichem.2023.100006

The benefits of using machine learning approaches in the design, optimisation and understanding of homogeneous catalytic processes are being increasingly realised. We focus on the understanding and implementation of key concepts, which serve as condu... Read More about ML meets MLn: machine learning in ligand promoted homogeneous catalysis.

Synthesis of Fluorinated Hydrazinylthiazole Derivatives: A Virtual and Experimental Approach to Diabetes Management (2023)
Journal Article
Mehmood, H., Akhtar, T., Haroon, M., Khalid, M., Woodward, S., Asghar, M. A., …Perveen, S. (2023). Synthesis of Fluorinated Hydrazinylthiazole Derivatives: A Virtual and Experimental Approach to Diabetes Management. ACS Omega, 8(12), 11433-11446. https://doi.org/10.1021/acsomega.3c00265

A novel series of fluorophenyl-based thiazoles was synthesized following the Hanztsch method. All of the compounds were initially verified with physical parameters (color, melting point, retardation factor (Rf)), which were further confirmed by sever... Read More about Synthesis of Fluorinated Hydrazinylthiazole Derivatives: A Virtual and Experimental Approach to Diabetes Management.

A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis (2023)
Journal Article
Rit, R., Li, H., Argent, S. P., Wheelhouse, K. M., Woodward, S., & Lam, H. W. (2023). A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis. Advanced Synthesis and Catalysis, 365(10), 1629-1639. https://doi.org/10.1002/adsc.202300039

Chiral dienes are important ligands in asymmetric catalysis but they are less accessible than other commonly used ligands such as chiral bisphosphines. Here, we show that intramolecular [4 + 2] cycloaddition of a simply attained chiral allenecarboxan... Read More about A Scalable Synthesis of Chiral Himbert Diene Ligands for Asymmetric Catalysis.

Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones (2022)
Journal Article
Mehmood, H., Musa, M., Woodward, S., Hossan, M. S., Bradshaw, T. D., Haroon, M., …Akhtar, T. (2022). Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones. RSC Advances, 12(52), 34126-34141. https://doi.org/10.1039/d2ra03226k

Cyclization of substituted thiosemicarbazones with α-bromo-4-cyanoacetophenone allows rapid single-step sustainable syntheses of 4-cyanophenyl-2-hydrazinylthiazoles libraries (30 examples, 66–79%). All show anticancer efficacy against HCT-116 and MCF... Read More about Design, and synthesis of selectively anticancer 4-cyanophenyl substituted thiazol-2-ylhydrazones.

Synthesis of Arylidenehydrazinyl‐4‐methoxyphenylthiazole Derivatives: Docking Studies, Probing Type II Diabetes Complication Management Agents (2022)
Journal Article
Mehmood, H., Akhtar, T., Haroon, M., Tahir, E., Ehsan, M., Woodward, S., & Musa, M. (2022). Synthesis of Arylidenehydrazinyl‐4‐methoxyphenylthiazole Derivatives: Docking Studies, Probing Type II Diabetes Complication Management Agents. Chemistry and Biodiversity, 19(11), Article e202200824. https://doi.org/10.1002/cbdv.202200824

Thiazole has been a key scaffold in antidiabetic drugs. In quest of new and more effective drugs a simple, efficient, high yielding (67–79 %) and convenient synthesis of arylidenehydrazinyl-4-methoxyphenyl)thiazoles is accomplished over two steps. Th... Read More about Synthesis of Arylidenehydrazinyl‐4‐methoxyphenylthiazole Derivatives: Docking Studies, Probing Type II Diabetes Complication Management Agents.

Optimisation of Thimble simulations and quantum dynamics of multiple fields in real time (2022)
Journal Article
Woodward, S., Saffin, P. M., Mou, Z. G., & Tranberg, A. (2022). Optimisation of Thimble simulations and quantum dynamics of multiple fields in real time. Journal of High Energy Physics, 2022(10), Article 82. https://doi.org/10.1007/JHEP10%282022%29082

We apply the Generalised Thimble approach to the computation of exact path integrals and correlators in real-time quantum field theory. We first investigate the details of the numerical implementation and ways of optimizing the algorithm. We subseque... Read More about Optimisation of Thimble simulations and quantum dynamics of multiple fields in real time.

Rate of Formation of Industrial Lubricant Additive Precursors from Maleic Anhydride and Polyisobutylene (2022)
Journal Article
Streets, J., Proust, N., Parmar, D., Walker, G., Licence, P., & Woodward, S. (2022). Rate of Formation of Industrial Lubricant Additive Precursors from Maleic Anhydride and Polyisobutylene. Organic Process Research and Development, 26(9), 2749-2755. https://doi.org/10.1021/acs.oprd.2c00207

The Alder-ene reaction of neat polyisobutylene (PIB) and maleic anhydride (MAA) to produce the industrially important lubricant additive precursor polyisobutylene succinic anhydride (PIBSA) is studied at 150-180 °C. Under anaerobic conditions with [P... Read More about Rate of Formation of Industrial Lubricant Additive Precursors from Maleic Anhydride and Polyisobutylene.

Identifying Chirality in Line Drawings of Molecules Using Imbalanced Dataset Sampler for a Multilabel Classification Task (2022)
Journal Article
Kok, Y. E., Woodward, S., Özcan, E., & Torres Torres, M. (2022). Identifying Chirality in Line Drawings of Molecules Using Imbalanced Dataset Sampler for a Multilabel Classification Task. Molecular Informatics, 41(12), Article 2200068. https://doi.org/10.1002/minf.202200068

Chirality, the ability of some molecules to exist as two non-superimposable mirror images, profoundly influences both chemistry and biology. Advances in deep learning enable the automatic recognition of chemical structure diagrams, however, studies o... Read More about Identifying Chirality in Line Drawings of Molecules Using Imbalanced Dataset Sampler for a Multilabel Classification Task.

Mechanistic-Insight-Driven Rate Enhancement of Asymmetric Copper-Catalyzed 1,4-Addition of Dialkylzinc Reagents to Enones (2020)
Journal Article
Nouch, R., Woodward, S., Willcox, D., Robinson, D., & Lewis, W. (2020). Mechanistic-Insight-Driven Rate Enhancement of Asymmetric Copper-Catalyzed 1,4-Addition of Dialkylzinc Reagents to Enones. Organometallics, 39(6), 834-840. https://doi.org/10.1021/acs.organomet.0c00005

Combination of [Cu(MeCN)4]TFA•TFAH (TFA = O2CCF3) with Feringa's phosphoramidite ligand (LA) provides an exceptionally active (0.75 mol%) catalyst for asymmetric conjugate additions of ZnR2 (R = Et, Me at-40 to-80 o C) to enones. Kinetic and other st... Read More about Mechanistic-Insight-Driven Rate Enhancement of Asymmetric Copper-Catalyzed 1,4-Addition of Dialkylzinc Reagents to Enones.

Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates (2019)
Journal Article
Kingsbury, A., Brough, S., Pedrina McCarthy, A., Lewis, W., & Woodward, S. (2020). Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates. European Journal of Inorganic Chemistry, 2020(11-12), 1011-1017. https://doi.org/10.1002/ejic.201901036

Under CuBr·SMe2/PPh3 catalysis (5/10 mol-%) RMgCl (R = Me, Et, nPr, CH=CH2, nBu, iBu, nC5H11, cC6H11, Bn, CH2Bn, nC11H23) readily (-78 oC) undergo 1,4-addition to Cbz or Boc protected quinolin-4(1H)-ones to provide 2-alkyl-2,3-dihydroquinolin-4(1H)-o... Read More about Conjugate Addition Routes to 2-alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates.

Real-time quantum dynamics, path integrals and the method of thimbles (2019)
Journal Article
Mou, Z.-G., Saffin, P. M., Tranberg, A., & Woodward, S. (2019). Real-time quantum dynamics, path integrals and the method of thimbles. Journal of High Energy Physics, 2019(6), Article 94. https://doi.org/10.1007/jhep06%282019%29094

Direct numerical evaluation of the real-time path integral has a well-known sign problem that makes convergence exponentially slow. One promising remedy is to use Picard-Lefschetz theory to flow the domain of the field variables into the complex plan... Read More about Real-time quantum dynamics, path integrals and the method of thimbles.

Syntheses of 7-substituted anthra[2,3-b]thiophene derivatives and naphtho[2,3-b:6,7-b’]dithiophene (2018)
Journal Article
Al-jumaili, M. A., & Woodward, S. (2018). Syntheses of 7-substituted anthra[2,3-b]thiophene derivatives and naphtho[2,3-b:6,7-b’]dithiophene. Journal of Organic Chemistry, 83(18), 11437-11445. https://doi.org/10.1021/acs.joc.8b01770

7-R-anthra[2,3-b]thiophene derivatives (1, R = H, Me, i-Pr, MeO) are prepared in three steps (in average overall yield >50%) starting from (E)-4-RC6H4CH2(HOCH2)C=CI(CH2OH). The latter are commercial or readily prepared from 2-butyne-1,4-diol and ArC... Read More about Syntheses of 7-substituted anthra[2,3-b]thiophene derivatives and naphtho[2,3-b:6,7-b’]dithiophene.

Capturing waste heat energy with charge-transfer organic thermoelectrics (2018)
Journal Article
Dimitrov, V., & Woodward, S. (2018). Capturing waste heat energy with charge-transfer organic thermoelectrics. SYNTHESIS, 50(19), 3833-3842. https://doi.org/10.1055/s-0037-1610208

Electrically conducting organic salts, known for over 60 years, have recently demonstrated new abilities to convert waste heat directly into electrical power via the thermoelectric effect. Multiple opportunities are emerging for new structure-propert... Read More about Capturing waste heat energy with charge-transfer organic thermoelectrics.

Enantioselective synthesis of 6,6-disubstituted pentafulvenes containing a chiral pendant hydroxy group (2017)
Journal Article
Nouch, R., Cini, M., Magre, M., Abid, M., Diéguez, M., Pàmies, O., …Lewis, W. (in press). Enantioselective synthesis of 6,6-disubstituted pentafulvenes containing a chiral pendant hydroxy group. Chemistry - A European Journal, https://doi.org/10.1002/chem.201704247

Simple enantioselective synthesis of 6,6-disubstituted pentafulvenes bearing chiral pendant hydroxy groups are attained by cascade reactivity using commercially available proline-based organocatalysts. Condensation of cyclopentadiene with the acetyl... Read More about Enantioselective synthesis of 6,6-disubstituted pentafulvenes containing a chiral pendant hydroxy group.

Kinetic analysis of Copper(I)/Feringa-Phosphoramidite Catalysed AlEt3 1,4-Addition to Cyclohex-2-en-1-one (2017)
Journal Article
Willcox, D., Nouch, R., Kingsbury, A., Robinson, D., Carey, J. V., Brough, S., & Woodward, S. (in press). Kinetic analysis of Copper(I)/Feringa-Phosphoramidite Catalysed AlEt3 1,4-Addition to Cyclohex-2-en-1-one. ACS Catalysis, https://doi.org/10.1021/acscatal.7b02198

ReactIR studies of mixtures of AlEt3 (A) and cyclohex-2-en-1-one (CX) in Et2O indicate immediate formation of the Lewis acid-base complex (CX.A) at -40 oC (K = 12.0 M-1, ΔGoreact -1.1 kcal mol-1). Copper(I) catalysts, derived from pre-catalytic Cu(OA... Read More about Kinetic analysis of Copper(I)/Feringa-Phosphoramidite Catalysed AlEt3 1,4-Addition to Cyclohex-2-en-1-one.

Straightforward synthesis of 2- and 2,8-substituted tetracenes (2017)
Journal Article
Woodward, S., Ackermann, M., Ahirwar, S., Burroughs, L., Robert Garrett, M., Ritchie, J., …Woodward, P. (in press). Straightforward synthesis of 2- and 2,8-substituted tetracenes. Chemistry - A European Journal, https://doi.org/10.1002/chem.201701170

A simple regiospecific route to otherwise problematic substituted tetracenes is described. The diverse cores (E)- 1,2-Ar1CH2(HOCH2)C=C(CH2OH)I (Ar1 = Ph, 4-MePh, 4-MeOPh, 4-FPh) and (E)-1,2-I(HOCH2)C=C(CH2OH)I, accessed from ultra-low cost HOCH2C≡CCH... Read More about Straightforward synthesis of 2- and 2,8-substituted tetracenes.

Using titanium complexes to defeat cancer: the view from the shoulders of titans (2017)
Journal Article
Cini, M., Bradshaw, T. D., & Woodward, S. (in press). Using titanium complexes to defeat cancer: the view from the shoulders of titans. Chemical Society Reviews, https://doi.org/10.1039/C6CS00860G

When the first titanium complex with anticancer activity was identified in the 1970s, it was attractive, based on the presence of the dichloride unit in TiCl2Cp2 (Cp = η-C5H5)2, to assume its mode of biological action was closely aligned with cisplat... Read More about Using titanium complexes to defeat cancer: the view from the shoulders of titans.

Thin film organic thermoelectric generator based on tetrathiotetracene (2017)
Journal Article
Pudsz, K., Vembris, A., Rutkis, M., & Woodward, S. (in press). Thin film organic thermoelectric generator based on tetrathiotetracene. Advanced Electronic Materials, https://doi.org/10.1002/aelm.201600429

Thin films of p- and n- type organic semiconductors for thermo-electrical (TE) applications are produced by doping of tetrathiotetracene (TTT). To obtain p-type material TTT is doped with iodine during vacuum deposition of thin films or by post-depos... Read More about Thin film organic thermoelectric generator based on tetrathiotetracene.

An efficient synthesis of substituted chrysenes (2016)
Journal Article
Eccleshare, L., Selzer, S., & Woodward, S. (2017). An efficient synthesis of substituted chrysenes. Tetrahedron, 58(5), https://doi.org/10.1016/j.tetlet.2016.12.004

Substituted chrysenes have been swiftly synthesised by the 6-endo-dig cyclisation of ethynylnaphthalenes using platinum(II) chloride. Cyclisation precursors were directly prepared from commercially available 2-bromoaldehydes in a telescoped synthetic... Read More about An efficient synthesis of substituted chrysenes.

Tetrathiotetracene thin film morphology and electrical properties (2015)
Journal Article
Pudzs, K., Vembris, A., Busenbergs, J., Rutkis, M., & Woodward, S. (in press). Tetrathiotetracene thin film morphology and electrical properties. Thin Solid Films, 598, https://doi.org/10.1016/j.tsf.2015.11.087

The electrical properties of organic thin films are determined by their chemical constituents and the morphology of the films deposited. In this paper the morphology of vacuum sublimed (7∙10-6 mbar) tetrathiotetracene (TTT) thin films is shown to be... Read More about Tetrathiotetracene thin film morphology and electrical properties.

Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance (2015)
Journal Article
Cini, M., Bradshaw, T. D., Woodward, S., & Lewis, W. (2015). Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance. Angewandte Chemie International Edition, 54(47), https://doi.org/10.1002/anie.201508034

Unprecedented asymmetric copper-catalyzed addition of ZnEt2 (ZnBu2) to the exocyclic C[DOUBLE BOND]C bond of pentafulvenes C5H4([DOUBLE BOND]CHAr) (Ar=2-MeOPh and related species) results in enantiomerically enriched (up to 93:7 e.r.) cyclopentadieny... Read More about Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance.

New furocarbazole alkaloids from Lonicera quinquelocularis (2015)
Journal Article
Khan, D., Khan, S., Badshah, S., Ullah, H., Ullah, H., Muhammad, Z., & Woodward, S. (2016). New furocarbazole alkaloids from Lonicera quinquelocularis. Natural Product Research, 30(1), https://doi.org/10.1080/14786419.2015.1036267

Two new furocarbazole alkaloids, 3-formyl-6,7-dimethoxy-furo[1,2]carbazole (1) and methyl-6,7-dimethoxy-furo[1,2]carbazole-3-carboxylate (2), along with two known carbazole alkaloids, 3-formyl-2-hydroxy-7-methoxycarbazole (3) and methyl 2,7-dimethoxy... Read More about New furocarbazole alkaloids from Lonicera quinquelocularis.

1,4-addition of TMSCCl3to nitroalkenes: efficient reaction conditions and mechanistic understanding (2014)
Journal Article
Wu, N., Wahl, B., Woodward, S., & Lewis, W. (2014). 1,4-addition of TMSCCl3to nitroalkenes: efficient reaction conditions and mechanistic understanding. Chemistry - A European Journal, 20(25), https://doi.org/10.1002/chem.201402394

Improved synthetic conditions allow preparation of TMSCCl3 in good yield (70 %) and excellent purity. Compounds of the type NBu4X [X=Ph3SiF2 (TBAT), F (tetrabutylammonium fluoride, TBAF), OAc, Cl and Br] act as catalytic promoters for 1,4-additions t... Read More about 1,4-addition of TMSCCl3to nitroalkenes: efficient reaction conditions and mechanistic understanding.

On DABAL-Me₃ promoted formation of amides (2013)
Journal Article
Dubois, N., Glynn, D., Mcinally, T., Rhodes, B., Woodward, S., Irvine, D., & Dodds, C. (2013). On DABAL-Me₃ promoted formation of amides. Tetrahedron, 69(46), https://doi.org/10.1016/j.tet.2013.08.062

The range and utility of DABAL-Me3 couplings of methyl esters and free carboxylic acids with primary and secondary amines under a variety of conditions (reflux, sealed tube, microwave) has been compared for a significant range of coupling partners of... Read More about On DABAL-Me₃ promoted formation of amides.