The University of Queensland

Structural information from spin-labels and intrinsic paramagnetic centres in the Biosciences

Christiane R. Timmel and Jeffrey R. Harmer eds. (2013). Structural information from spin-labels and intrinsic paramagnetic centres in the Biosciences. Structure and Bonding, Heidelberg, Germany: Springer. doi: 10.1007/978-3-642-39125-5

CW and pulse EPR of cytochrome P450 to determine structure and function

Harbort, Joshua S., De Voss, James J., Stok, Jeanette E., Bell, Stephen G. and Harmer, Jeffrey R. (2017). CW and pulse EPR of cytochrome P450 to determine structure and function. Future directions in metalloprotein and metalloenzyme research. (pp. 103-142) edited by Graeme Hanson and Lawrence Berliner. New York, United States: Springer. doi: 10.1007/978-3-319-59100-1_5

Preface

Timmel, Christiane R. and Harmer, Jeffrey R. (2014). Preface. Structural information from spin-labels and intrinsic paramagnetic centres in the biosciences . (pp. v-vii) edited by Christiane R. Timmel and Jeffrey R. Harmer. Berlin, Germany: Springer.

Advanced Pulse EPR Methods for the Characterization of Metalloproteins

Harmer, Jeffrey, Mitrikas, George and Schweiger, Arthur (2009). Advanced Pulse EPR Methods for the Characterization of Metalloproteins. High Resolution EPR: Applications to Metalloenzymes and Metals in Medicine. (pp. 13-61) edited by Lawrence Berliner and Graeme Hanson. New York , NY, U.S.A.: Springer New York. doi: 10.1007/978-0-387-84856-3_2

Macrocyclic Copper(II) Complexes as Catalysts for Electrochemically Mediated Atom Transfer

Naher, Masnun, Su, Chuyi, Harmer, Jeffrey R., Williams, Craig M. and Bernhardt, Paul V. (2024). Macrocyclic Copper(II) Complexes as Catalysts for Electrochemically Mediated Atom Transfer. Inorganic Chemistry. doi: 10.1021/acs.inorgchem.4c00311

Kinetic, electrochemical and spectral characterization of bacterial and archaeal rusticyanins; unexpected stability issues and consequences for applications in biotechnology

Wilson, Liam A., Melville, Jamie N., Pedroso, Marcelo M., Krco, Stefan, Hoelzl, Robert, Zaugg, Julian, Southam, Gordon, Virdis, Bernardino, Evans, Paul, Supper, Jenna, Harmer, Jeffrey R., Tyson, Gene, Clark, Alice, Schenk, Gerhard and Bernhardt, Paul V. (2024). Kinetic, electrochemical and spectral characterization of bacterial and archaeal rusticyanins; unexpected stability issues and consequences for applications in biotechnology. Journal of Inorganic Biochemistry 112539, 1-10. doi: 10.1016/j.jinorgbio.2024.112539

Inorganic Fe-O and Fe-S oxidoreductases: paradigms for prebiotic chemistry and the evolution of enzymatic activity in biology

Huang, Xiao-Lan, Harmer, Jeffrey R., Schenk, Gerhard and Southam, Gordon (2024). Inorganic Fe-O and Fe-S oxidoreductases: paradigms for prebiotic chemistry and the evolution of enzymatic activity in biology. Frontiers in Chemistry, 12 ARTN 1349020. doi: 10.3389/fchem.2024.1349020

Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation

Dharmasivam, Mahendiran, Kaya, Busra, Wijesinghe, Tharushi P., Richardson, Vera, Harmer, Jeffrey R., Gonzalvez, Miguel A., Lewis, William, Azad, Mahan Gholam, Bernhardt, Paul V. and Richardson, Des R. (2024). Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. Chemical Science, 15 (3), 974-990. doi: 10.1039/d3sc05723b

Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant

Podgorski, Matthew N., Lee, Joel H.Z., Harbort, Joshua S., Nguyen, Giang T.H., Doherty, Daniel Z., Donald, William A., Harmer, Jeffrey R., Bruning, John B. and Bell, Stephen G. (2023). Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. Journal of Inorganic Biochemistry, 249 112391, 112391. doi: 10.1016/j.jinorgbio.2023.112391

Redox Characterization of the Complex Molybdenum Enzyme Formate Dehydrogenase from <i>Cupriavidus necator</i>

Harmer, Jeffrey R., Hakopian, Sheron, Niks, Dimitri, Hille, Russ and Bernhardt, Paul V. (2023). Redox Characterization of the Complex Molybdenum Enzyme Formate Dehydrogenase from Cupriavidus necator. Journal of the American Chemical Society, 145 (47), 25850-25863. doi: 10.1021/jacs.3c10199

Steric Blockade of Oxy-Myoglobin Oxidation by Thiosemicarbazones: Structure–Activity Relationships of the Novel PPP4pT Series

Wijesinghe, Tharushi P., Kaya, Busra, Gonzálvez, Miguel A., Harmer, Jeffrey R., Gholam Azad, Mahan, Bernhardt, Paul V., Dharmasivam, Mahendiran and Richardson, Des R. (2023). Steric Blockade of Oxy-Myoglobin Oxidation by Thiosemicarbazones: Structure–Activity Relationships of the Novel PPP4pT Series. Journal of Medicinal Chemistry, 66 (22), 15453-15476. doi: 10.1021/acs.jmedchem.3c01612

Electrocatalytic atom transfer radical addition with turbocharged organocopper(II) complexes

Naher, Masnun, Su, Chuyi, Harmer, Jeffrey R., Williams, Craig M. and Bernhardt, Paul V. (2023). Electrocatalytic atom transfer radical addition with turbocharged organocopper(II) complexes. Inorganic Chemistry, 62 (38), 15575-15583. doi: 10.1021/acs.inorgchem.3c02106

Photodynamic inactivation of Botrytis cinerea spores by curcumin—effect of treatment factors and characterization of photo-generated reactive oxygen species

Seididamyeh, Maral, Netzel, Michael E., Mereddy, Ram, Harmer, Jeffrey R. and Sultanbawa, Yasmina (2023). Photodynamic inactivation of Botrytis cinerea spores by curcumin—effect of treatment factors and characterization of photo-generated reactive oxygen species. Food and Bioprocess Technology. doi: 10.1007/s11947-023-03150-w

PPARγ corepression involves alternate ligand conformation and inflation of H12 ensembles

Frkic, Rebecca L., Pederick, Jordan L., Horsfall, Aimee J., Jovcevski, Blagojce, Crame, Elise E., Kowalczyk, Wioleta, Pukala, Tara L., Chang, Mi Ra, Zheng, Jie, Blayo, Anne-Laure, Abell, Andrew D., Kamenecka, Theodore M., Harbort, Joshua S., Harmer, Jeffrey R., Griffin, Patrick R and Bruning, John B. (2023). PPARγ corepression involves alternate ligand conformation and inflation of H12 ensembles. ACS Chemical Biology, 18 (5), 1115-1123. doi: 10.1021/acschembio.2c00917

Structural and functional insight into the mechanism of the Fe‐S cluster‐dependent dehydratase from Paralcaligenes ureilyticus

Bayaraa, Tenuun, Lonhienne, Thierry, Sutiono, Samuel, Melse, Okke, Brück, Thomas B., Marcellin, Esteban, Bernhardt, Paul V., Boden, Mikael, Harmer, Jeffrey R., Sieber, Volker, Guddat, Luke W. and Schenk, Gerhard (2023). Structural and functional insight into the mechanism of the Fe‐S cluster‐dependent dehydratase from Paralcaligenes ureilyticus. Chemistry: A European Journal, 29 (9) e202203140, 1-13. doi: 10.1002/chem.202203140

Facet-specific active surface regulation of BixMOy (M=Mo, V, W) nanosheets for boosted photocatalytic CO2 reduction

Zhang, Yanzhao, Zhi, Xing, Harmer, Jeffrey R., Xu, Haolan, Davey, Kenneth, Ran, Jingrun and Qiao, Shi-Zhang (2022). Facet-specific active surface regulation of BixMOy (M=Mo, V, W) nanosheets for boosted photocatalytic CO2 reduction. Angewandte Chemie - International Edition, 61 (50) e202212355, 1-8. doi: 10.1002/anie.202212355

Catalytic electrochemistry of the bacterial Molybdoenzyme YcbX

Kalimuthu, Palraj, Harmer, Jeffrey R., Baldauf, Milena, Hassan, Ahmed H., Kruse, Tobias and Bernhardt, Paul V. (2022). Catalytic electrochemistry of the bacterial Molybdoenzyme YcbX. Biochimica et Biophysica Acta - Bioenergetics, 1863 (7) 148579, 148579. doi: 10.1016/j.bbabio.2022.148579

Short-range ENDOR distance measurements between Gd(iii) and trifluoromethyl labels in proteins

Judd, Martyna, Abdelkader, Elwy H., Qi, Mian, Harmer, Jeffrey R., Huber, Thomas, Godt, Adelheid, Savitsky, Anton, Otting, Gottfried and Cox, Nicholas (2022). Short-range ENDOR distance measurements between Gd(iii) and trifluoromethyl labels in proteins. Physical Chemistry Chemical Physics, 24 (41), 25214-25226. doi: 10.1039/d2cp02889a

Locking the ultrasound-induced active conformation of metalloenzymes in metal–organic frameworks

Liang, Jieying, Bin Zulkifli, Muhammad Yazid, Yong, Joel, Du, Zeping, Ao, Zhimin, Rawal, Aditya, Scott, Jason A., Harmer, Jeffrey R., Wang, Joseph and Liang, Kang (2022). Locking the ultrasound-induced active conformation of metalloenzymes in metal–organic frameworks. Journal of the American Chemical Society, 144 (39), 17865-17875. doi: 10.1021/jacs.2c06471

Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance

Bayaraa, Tenuun, Gaete, Jose, Sutiono, Samuel, Kurz, Julia, Lonhienne, Thierry, Harmer, Jeffrey R., Bernhardt, Paul V., Sieber, Volker, Guddat, Luke and Schenk, Gerhard (2022). Dihydroxy‐acid dehydratases from pathogenic bacteria: emerging drug targets to combat antibiotic resistance. Chemistry: A European Journal, 28 (44) e202200927, e202200927. doi: 10.1002/chem.202200927

Enzyme electrode biosensors for N-hydroxylated prodrugs incorporating the mitochondrial amidoxime reducing component

Zapiter, Joan, Harmer, Jeffrey R., Struwe, Michel, Scheidig, Axel, Clement, Bernd and Bernhardt, Paul V. (2022). Enzyme electrode biosensors for N-hydroxylated prodrugs incorporating the mitochondrial amidoxime reducing component. Analytical Chemistry, 94 (25), 9208-9215. doi: 10.1021/acs.analchem.2c02232

The cytochrome P450 OxyA from the kistamicin biosynthesis cyclization cascade is highly sensitive to oxidative damage

Greule, Anja, Izoré, Thierry, Machell, Daniel, Hansen, Mathias H., Schoppet, Melanie, De Voss, James J., Charkoudian, Louise K., Schittenhelm, Ralf B., Harmer, Jeffrey R. and Cryle, Max J. (2022). The cytochrome P450 OxyA from the kistamicin biosynthesis cyclization cascade is highly sensitive to oxidative damage. Frontiers in Chemistry, 10 868240, 868240. doi: 10.3389/fchem.2022.868240

Electrochemically driven catalysis of the bacterial molybdenum enzyme YiiM

Kalimuthu, Palraj, Harmer, Jeffrey R., Baldauf, Milena, Hassan, Ahmed H., Kruse, Tobias and Bernhardt, Paul V. (2022). Electrochemically driven catalysis of the bacterial molybdenum enzyme YiiM. Biochimica et Biophysica Acta - Bioenergetics, 1863 (3) 148523, 148523. doi: 10.1016/j.bbabio.2021.148523

Mechanochemically synthesised flexible electrodes based on bimetallic metal–organic framework glasses for the oxygen evolution reaction

Lin, Rijia, Li, Xuemei, Krajnc, Andraž, Li, Zhiheng, Li, Mengran, Wang, Wupeng, Zhuang, Linzhou, Smart, Simon, Zhu, Zhonghua, Appadoo, Dominique, Harmer, Jeffrey R., Wang, Zhiliang, Buzanich, Ana Guilherme, Beyer, Sebastian, Wang, Lianzhou, Mali, Gregor, Bennett, Thomas D., Chen, Vicki and Hou, Jingwei (2022). Mechanochemically synthesised flexible electrodes based on bimetallic metal–organic framework glasses for the oxygen evolution reaction. Angewandte Chemie, 134 (4) e202112880, 21-7. doi: 10.1002/ange.202112880

An altered heme environment in an engineered cytochrome P450 enzyme enables the switch from monooxygenase to peroxygenase activity

Podgorski, Matthew N., Harbort, Joshua S., Lee, Joel H. Z., Nguyen, Giang T.H., Bruning, John B., Donald, William A., Bernhardt, Paul V., Harmer, Jeffrey R. and Bell, Stephen G. (2022). An altered heme environment in an engineered cytochrome P450 enzyme enables the switch from monooxygenase to peroxygenase activity. ACS Catalysis, 12 (3), 1614-1625. doi: 10.1021/acscatal.1c05877

Mechanochemically synthesised flexible electrodes based on bimetallic metal–organic framework glasses for the oxygen evolution reaction

Lin, Rijia, Li, Xuemei, Krajnc, Andraž, Li, Zhiheng, Li, Mengran, Wang, Wupeng, Zhuang, Linzhou, Smart, Simon, Zhu, Zhonghua, Appadoo, Dominique, Harmer, Jeffrey R., Wang, Zhiliang, Buzanich, Ana Guilherme, Beyer, Sebastian, Wang, Lianzhou, Mali, Gregor, Bennett, Thomas D., Chen, Vicki and Hou, Jingwei (2021). Mechanochemically synthesised flexible electrodes based on bimetallic metal–organic framework glasses for the oxygen evolution reaction. Angewandte Chemie International Edition, 61 (4) e202112880, e202112880. doi: 10.1002/anie.202112880

TOAC spin-labeled peptides tailored for DNP-NMR studies in lipid membrane environments

Zhu, Shiying, Kachooei, Ehsan, Harmer, Jeffrey R., Brown, Louise J., Separovic, Frances and Sani, Marc-Antoine (2021). TOAC spin-labeled peptides tailored for DNP-NMR studies in lipid membrane environments. Biophysical Journal, 120 (20), 4501-4511. doi: 10.1016/j.bpj.2021.08.040

Mapping the pathway to organocopper(II) complexes relevant to atom transfer radical polymerization

Gonzálvez, Miguel A., Harmer, Jeffrey R. and Bernhardt, Paul V. (2021). Mapping the pathway to organocopper(II) complexes relevant to atom transfer radical polymerization. Inorganic Chemistry, 60 (14) acs.inorgchem.1c01309, 10648-10655. doi: 10.1021/acs.inorgchem.1c01309

A trap-door mechanism for zinc acquisition by Streptococcus pneumoniae AdcA

Luo, Zhenyao, Morey, Jacqueline R., Deplazes, Evelyne, Motygullina, Alina, Tan, Aimee, Ganio, Katherine, Neville, Stephanie L., Eleftheriadis, Nikolaos, Isselstein, Michael, Pederick, Victoria G., Paton, James C., Cordes, Thorben, Harmer, Jeffrey R., Kobe, Bostjan and McDevitt, Christopher A. (2021). A trap-door mechanism for zinc acquisition by Streptococcus pneumoniae AdcA. mBio, 12 (1) e01958-20, 1-14. doi: 10.1128/mBio.01958-20

Understanding the mechanistic requirements for efficient and stereoselective alkene epoxidation by a cytochrome P450 enzyme

Coleman, Tom, Kirk, Alicia M., Chao, Rebecca R., Podgorski, Matthew N., Harbort, Joshua S., Churchman, Luke R., Bruning, John B., Bernhardt, Paul V., Harmer, Jeffrey R., Krenske, Elizabeth H., De Voss, James J. and Bell, Stephen G. (2021). Understanding the mechanistic requirements for efficient and stereoselective alkene epoxidation by a cytochrome P450 enzyme. ACS Catalysis, 11 (4), 1995-2010. doi: 10.1021/acscatal.0c04872

Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes

Struwe, Michel A., Kalimuthu, Palraj, Luo, Zhenyao, Zhong, Qifeng, Ellis, Daniel, Yang, Jing, Khadanand, K.C., Harmer, Jeffrey R., Kirk, Martin L., McEwan, Alastair G., Clement, Bernd, Bernhardt, Paul V., Kobe, Bostjan and Kappler, Ulrike (2021). Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes. Journal of Biological Chemistry, 296 100672, 1-16. doi: 10.1016/j.jbc.2021.100672

Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane

Carey Hulyer, Alex R., Briggs, Deborah A., O'Mara, Megan L., Kerr, Ian D., Harmer, Jeffrey R. and Callaghan, Richard (2020). Cross-linking, DEER-spectroscopy and molecular dynamics confirm the inward facing state of P-glycoprotein in a lipid membrane. Journal of Structural Biology, 211 (1) 107513, 1-14. doi: 10.1016/j.jsb.2020.107513

Amyloid β chaperone — lipocalin-type prostaglandin D synthase acts as a peroxidase in the presence of heme

Phillips, Margaret, Kannaian, Bhuvaneswari, Yang, Justin Ng Tze, Kather, Ralf, Mu Yuguang, , Harmer, Jeffrey R. and Pervushin, Konstantin (2020). Amyloid β chaperone — lipocalin-type prostaglandin D synthase acts as a peroxidase in the presence of heme. Biochemical Journal, 477 (7), 1227-1240. doi: 10.1042/BCJ20190536

Biophysical techniques for distinguishing ligand binding modes in cytochrome P450 monooxygenases

Podgorski, Matthew N., Harbort, Joshua S., Coleman, Tom, Stok, Jeanette E., Yorke, Jake A., Wong, Luet-Lok, Bruning, John B., Bernhardt, Paul V., De Voss, James J., Harmer, Jeffrey R. and Bell, Stephen G. (2020). Biophysical techniques for distinguishing ligand binding modes in cytochrome P450 monooxygenases. Biochemistry, 59 (9) acs.biochem.0c00027, 1038-1050. doi: 10.1021/acs.biochem.0c00027

Non‐oxido‐vanadium(IV) metalloradical complexes with bidentate 1,2‐dithienylethene ligands: observation of reversible cyclization of the ligand scaffold in solution

Schlüter, Dirk, Kleemiss, Florian, Fugel, Malte, Lork, Enno, Sugimoto, Kunihisa, Grabowsky, Simon, Harmer, Jeffrey R. and Vogt, Matthias (2020). Non‐oxido‐vanadium(IV) metalloradical complexes with bidentate 1,2‐dithienylethene ligands: observation of reversible cyclization of the ligand scaffold in solution. Chemistry: A European Journal, 26 (6) chem.201904103, 1335-1343. doi: 10.1002/chem.201904103

Copper complexes of benzoylacetone bis-thiosemicarbazones: metal and ligand based redox reactivity*

Bilyj, Jessica K., Harmer, Jeffrey R. and Bernhardt, Paul V. (2020). Copper complexes of benzoylacetone bis-thiosemicarbazones: metal and ligand based redox reactivity*. Australian Journal of Chemistry, 74 (1), 34-47. doi: 10.1071/ch20210

Engineering proton conductivity in melanin using metal doping

Mostert, A. Bernardus, Rienecker, Shermiyah B., Sheliakina, Margarita, Zierep, Paul, Hanson, Graeme R., Harmer, Jeffrey R., Schenk, Gerhard and Meredith, Paul (2020). Engineering proton conductivity in melanin using metal doping. Journal of Materials Chemistry B, 8 (35), 8050-8060. doi: 10.1039/d0tb01390k

The oxidation-reduction and electrocatalytic properties of CO dehydrogenase from Oligotropha carboxidovorans

Kalimuthu, Palraj, Petitgenet, Mélanie, Niks, Dimitri, Dingwall, Stephanie, Harmer, Jeffrey R., Hille, Russ and Bernhardt, Paul V. (2020). The oxidation-reduction and electrocatalytic properties of CO dehydrogenase from Oligotropha carboxidovorans. Biochimica et Biophysica Acta - Bioenergetics, 1861 (1) 148118, 148118. doi: 10.1016/j.bbabio.2019.148118

Back Cover: Phosphanyl Cyanophosphide Salts: Versatile PCN Building Blocks (Angew. Chem. Int. Ed. 33/2019)

Li, Zhongshu, Borger, Jaap E., Müller, Fabian, Harmer, Jeffrey R., Su, Cheng‐Yong and Grützmacher, Hansjörg (2019). Back Cover: Phosphanyl Cyanophosphide Salts: Versatile PCN Building Blocks (Angew. Chem. Int. Ed. 33/2019). Angewandte Chemie International Edition, 58 (33), 11542-11542. doi: 10.1002/anie.201908235

Rücktitelbild: Phosphanyl Cyanophosphide Salts: Versatile PCN Building Blocks (Angew. Chem. 33/2019)

Li, Zhongshu, Borger, Jaap E., Müller, Fabian, Harmer, Jeffrey R., Su, Cheng‐Yong and Grützmacher, Hansjörg (2019). Rücktitelbild: Phosphanyl Cyanophosphide Salts: Versatile PCN Building Blocks (Angew. Chem. 33/2019). Angewandte Chemie, 131 (33), 11666-11666. doi: 10.1002/ange.201908235

Phosphanyl cyanophosphide salts: versatile PCN building blocks

Li, Zhongshu, Borger, Jaap E., Müller, Fabian, Harmer, Jeffrey R., Su, Cheng-Yong and Grützmacher, Hansjörg (2019). Phosphanyl cyanophosphide salts: versatile PCN building blocks. Angewandte Chemie International Edition, 58 (33), 11429-11433. doi: 10.1002/anie.201904720

Phosphanyl cyanophosphide salts: versatile PCN building blocks

Li, Zhongshu, Borger, Jaap E., Müller, Fabian, Harmer, Jeffrey R., Su, Cheng‐Yong and Grützmacher, Hansjörg (2019). Phosphanyl cyanophosphide salts: versatile PCN building blocks. Angewandte Chemie, 58 (33) ange.201904720, 11542-11542. doi: 10.1002/ange.201904720

Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties

Bilyj, Jessica K., Silajew, Nicole V., Hanson, Graeme R., Harmer, Jeffrey R. and Bernhardt, Paul V. (2019). Trivalent copper stabilised by acetylacetone dithiocarbazate Schiff base ligands: structural, spectroscopic and electrochemical properties. Dalton Transactions, 48 (41), 15501-15514. doi: 10.1039/c9dt02071c

Optimizing the transformation of HYSCORE data using the maximum entropy algorithm

Motygullina, Alina E., Mobli, Mehdi and Harmer, Jeffrey R. (2019). Optimizing the transformation of HYSCORE data using the maximum entropy algorithm. Journal of Magnetic Resonance, 301, 30-39. doi: 10.1016/j.jmr.2019.02.002

Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation

Chen, Xiaodan, Hinz, Alexander, Harmer, Jeffrey R. and Li, Zhongshu (2019). Metastable phosphorus neutral monoradical: a key intermediate in the bicyclic cage formation. Dalton Transactions, 48 (8), 2549-2553. doi: 10.1039/c8dt04842h

Formation and reactivity of copper acetylacetone bis(thiosemicarbazone) complexes

Bilyj, Jessica K., Harmer, Jeffery R. and Bernhardt, Paul V. (2018). Formation and reactivity of copper acetylacetone bis(thiosemicarbazone) complexes. European Journal of Inorganic Chemistry, 2018 (43), 4731-4741. doi: 10.1002/ejic.201801002

A new mixed-valence Mn(II)Mn(III) compound with catalase and superoxide dismutase activities

Costal, Rafael O., Ferreira, Sarah S., Pereira, Crystiane A., Harmer, Jeffrey R., Noble, Christopher J., Schenk, Gerhard, Franco, Roberto W. A., Resende, Jackson A. L. C., Comba, Peter, Roberts, Asha E., Fernandes, Christiane and Horn Jr, Adolfo (2018). A new mixed-valence Mn(II)Mn(III) compound with catalase and superoxide dismutase activities. Frontiers in Chemistry, 6 (NOV) 491, 491. doi: 10.3389/fchem.2018.00491

Efficient biosynthesis of heterodimeric C3-aryl pyrroloindoline alkaloids

Tian, Wenya, Sun, Chenghai, Zheng, Mei, Harmer, Jeffrey R., Yu, Mingjia, Zhang, Yanan, Peng, Haidong, Zhu, Dongqing, Deng, Zixin, Chen, Shi-Lu, Mobli, Mehdi, Jia, Xinying and Qu, Xudong (2018). Efficient biosynthesis of heterodimeric C3-aryl pyrroloindoline alkaloids. Nature Communications, 9 (1) 4428, 4428. doi: 10.1038/s41467-018-06528-z

Heteroatom-Interchanged Isomers of Lissoclinamide 5: Copper(II) Complexation, Halide Binding, and Biological Activity

Xie, Sida, Savchenko, Andrei I., Kerscher, Marion, Grange, Rebecca L., Krenske, Elizabeth H., Harmer, Jeffrey R., Bauer, Michelle J., Broit, Natasa, Watters, Dianne J., Boyle, Glen M., Bernhardt, Paul V., Parsons, Peter G., Comba, Peter, Gahan, Lawrence R. and Williams, Craig M. (2018). Heteroatom-Interchanged Isomers of Lissoclinamide 5: Copper(II) Complexation, Halide Binding, and Biological Activity. European Journal of Organic Chemistry, 2018 (12), 1465-1476. doi: 10.1002/ejoc.201701659

L3C3P3: Tricarbontriphosphide Tricyclic Radicals and Cations Stabilized by Cyclic (alkyl)(amino)carbenes

Li, Zhongshu, Hou, Yuanfeng, Li, Yaqi, Hinz, Alexander, Harmer, Jeffrey R., Su, Cheng-Yong, Bertrand, Guy and Grützmacher, Hansjörg (2018). L3C3P3: Tricarbontriphosphide Tricyclic Radicals and Cations Stabilized by Cyclic (alkyl)(amino)carbenes. Angewandte Chemie - International Edition, 57 (1), 198-202. doi: 10.1002/anie.201710099

L3C3P3: tricarbontriphosphide tricyclic radicals and cations stabilized by cyclic (alkyl)(amino)carbenes

Li, Zhongshu, Hou, Yuanfeng, Li, Yaqi, Hinz, Alexander, Harmer, Jeffrey R., Su, Cheng-Yong, Bertrand, Guy and Grützmacher, Hansjörg (2018). L3C3P3: tricarbontriphosphide tricyclic radicals and cations stabilized by cyclic (alkyl)(amino)carbenes. Angewandte Chemie, 130 (1), 204-208. doi: 10.1002/ange.201710099

The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions

Hsiao, Ju-Chun, McGrath, Aaron P., Kielmann, Linda, Kalimuthu, Palraj, Darain, Farzana, Bernhardt, Paul V., Harmer, Jeffrey, Lee, Mihwa, Meyers, Kimberley, Maher, Megan J. and Kappler, Ulrike (2018). The central active site arginine in sulfite oxidizing enzymes alters kinetic properties by controlling electron transfer and redox interactions. Biochimica et Biophysica Acta - Bioenergetics, 1859 (1), 19-27. doi: 10.1016/j.bbabio.2017.10.001

A Structural Model of a P450-Ferredoxin Complex from Orientation-Selective Double Electron-Electron Resonance Spectroscopy

Bowen, Alice M., Johnson, Eachan O. D., Mercuri, Francesco, Hoskins, Nicola J., Qiao, Ruihong, McCullagh, James S. O., Lovett, Janet E., Bell, Stephen G., Zhou, Weihong, Timmel, Christiane R., Wong, Luet Lok and Harmer, Jeffrey R. (2017). A Structural Model of a P450-Ferredoxin Complex from Orientation-Selective Double Electron-Electron Resonance Spectroscopy. Journal of the American Chemical Society, 140 (7), 2514-2527. doi: 10.1021/jacs.7b11056

High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism

Lonhienne, Thierry, Garcia, Mario D., Noble, Chris, Harmer, Jeffrey, Fraser, James A., Williams, Craig M. and Guddat, Luke W. (2017). High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism. Chemistryselect, 2 (36), 11981-11988. doi: 10.1002/slct.201702128

Elucidating the mechanism of the Ley-Griffith (TPAP) alcohol oxidation

Zerk, Timothy J., Moore, Peter W., Harbort, Joshua S., Chow, Sharon, Byrne, Lindsay, Koutsantonis, George A., Harmer, Jeffrey R., Martinez, Manuel, Williams, Craig M. and Bernhardt, Paul V. (2017). Elucidating the mechanism of the Ley-Griffith (TPAP) alcohol oxidation. Chemical Science, 8 (12), 8435-8442. doi: 10.1039/c7sc04260d

Design of silk proteins with increased heme binding capacity and fabrication of silk-heme materials

Rapson, Trevor D., Liu, Jian-Wei, Sriskantha, Alagacone, Musameh, Mustafa, Dunn, Christopher J., Church, Jeffrey S., Woodhead, Andrea, Warden, Andrew C., Riley, Mark J., Harmer, Jeffrey R., Noble, Christopher J. and Sutherland, Tara D. (2017). Design of silk proteins with increased heme binding capacity and fabrication of silk-heme materials. Journal of Inorganic Biochemistry, 177, 219-227. doi: 10.1016/j.jinorgbio.2017.08.031

Electronic delocalization in the radical cations of porphyrin oligomer molecular wires

Peeks, Martin D., Tait, Claudia E., Neuhaus, Patrik, Fischer, Georg M., Hoffmann, Markus, Haver, Renee, Cnossen, Arjen, Harmer, Jeffrey R., Timmel, Christiane R. and Anderson, Harry L. (2017). Electronic delocalization in the radical cations of porphyrin oligomer molecular wires. Journal of the American Chemical Society, 139 (30), 10461-10471. doi: 10.1021/jacs.7b05386

Characterization of a highly efficient antibiotic-degrading metallo-β-lactamase obtained from an uncultured member of a permafrost community

Pedroso, Marcelo Monteiro, Selleck, Christopher, Enculescu, Charmaine, Harmer, Jeffrey R., Mitic, Natasa, Craig, Whitney R., Helweh, Waleed, Hugenholtz, Philip, Tyson, Gene W., Tierney, David L., Larrabee, James A. and Schenk, Gerhard (2017). Characterization of a highly efficient antibiotic-degrading metallo-β-lactamase obtained from an uncultured member of a permafrost community. Metallomics, 9 (8), 1157-1168. doi: 10.1039/c7mt00195a

Reaction mechanism of the metallohydrolase CpsB from Streptococcus pneumoniae, a promising target for novel antimicrobial agents

Monteiro Pedroso, Marcelo, Selleck, Christopher, Bilyj, Jessica, Harmer, Jeffrey R. , Gahan, Lawrence R. , Mitić, Natasa, Standish, Alistair J. , Tierney, David L. , Larrabee, James A. and Schenk, Gerhard (2017). Reaction mechanism of the metallohydrolase CpsB from Streptococcus pneumoniae, a promising target for novel antimicrobial agents. Dalton Transactions, 46 (39), 13194-13201. doi: 10.1039/c7dt01350g

(L)2C2P2: dicarbondiphosphide stabilized by N-heterocyclic carbenes or cyclic diamido carbenes

Li, Zhongshu, Chen, Xiaodan, Andrada, Diego M. , Frenking, Gernot, Benko, Zoltan, Li, Yaqi, Harmer, Jeffrey R. , Su, Cheng-Yong and Grutzmacher, Hansjoerg (2017). (L)2C2P2: dicarbondiphosphide stabilized by N-heterocyclic carbenes or cyclic diamido carbenes. Angewandte Chemie, 56 (21), 5744-5749. doi: 10.1002/anie.201612247

Zero-valent amino-olefin cobalt complexes as catalysts for oxygen atom transfer reactions from nitrous oxide

Gianetti, Thomas L., Rodríguez-Lugo, Rafael E., Harmer, Jeffrey R., Trincado, Monica, Vogt, Matthias, Santiso-Quinones, Gustavo and Grützmacher, Hansjörg (2016). Zero-valent amino-olefin cobalt complexes as catalysts for oxygen atom transfer reactions from nitrous oxide. Angewandte Chemie, 128 (49), 15549-15554. doi: 10.1002/ange.201609173

Zero-valent amino-olefin cobalt complexes as catalysts for oxygen atom transfer reactions from nitrous oxide

Gianetti, Thomas L., Rodriguez-Lugo, Rafael E., Harmer, Jeffrey R., Trincado, Monica, Vogt, Matthias, Santiso-Quinones, Gustavo and Grutzmacher, Hansjoerg (2016). Zero-valent amino-olefin cobalt complexes as catalysts for oxygen atom transfer reactions from nitrous oxide. Angewandte Chemie - International Edition, 55 (49), 15323-15328. doi: 10.1002/anie.201609173

AIM-1: an antibiotic-degrading metallohydrolase that displays mechanistic flexibility

Selleck, Christopher, Larrabee James A., Harmer, Jeffrey, Guddat, Luke W., Mitić, Natasa, Helweh, Waleed, Ollis, David L., Craig, Whitney R., Tierney, David L., Monteiro Pedroso, Marcelo and Schenk, Gerhard (2016). AIM-1: an antibiotic-degrading metallohydrolase that displays mechanistic flexibility. Chemistry, 22 (49), 17704-17714. doi: 10.1002/chem.201602762

From 0 to II in one-electron steps: a series of ruthenium complexes supported by tropPPh2

Yang, Xiuxiu, Gianetti, Thomas L., Harbort, Joshua, Worle, Michael D., Tan, Lilin, Su, Cheng-Yong, Jurt, Pascal, Harmer, Jeffrey R. and Grutzmacher, Hansjorg (2016). From 0 to II in one-electron steps: a series of ruthenium complexes supported by tropPPh2. Angewandte Chemie International Edition, 55 (39), 11999-12002. doi: 10.1002/anie.201605687

Controlling Au photodeposition on large ZnO nanoparticles

Fernando, Joseph F. S., Shortell, Matthew P., Noble, Christopher J., Harmer, Jeffrey R., Jaatinen, Esa A. and Waclawik, Eric R. (2016). Controlling Au photodeposition on large ZnO nanoparticles. ACS Applied Materials and Interfaces, 8 (22), 14271-14283. doi: 10.1021/acsami.6b03128

Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(II) centres

Bowen, Alice M., Jones, Michael W., Lovett, Janet E., Gaule, Thembanikosi G., McPherson, Michael J., Dilworth, Jonathan R., Timmel, Christiane R. and Harmer, Jeffrey R. (2016). Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(II) centres. Physical Chemistry Chemical Physics, 18 (8), 5981-5994. doi: 10.1039/c5cp06096f

Hyperfine spectroscopy-ENDOR

Harmer, Jeffrey R. (2016). Hyperfine spectroscopy-ENDOR. eMagRes, 5 (4), 1493-1514. doi: 10.1002/9780470034590.emrstm1515

Isolation and characterization of a bismuth(II) radical

Schwamm, Ryan J., Harmer, Jeffrey R., Lein, Matthias, Fitchett, Christopher M., Granville, Simon and Coles, Martyn P. (2015). Isolation and characterization of a bismuth(II) radical. Angewandte Chemie - International Edition, 54 (36), 10630-10633. doi: 10.1002/anie.201504632

Insights into the Electronic Structure of CuII Bound to an Imidazole Analogue of Westiellamide.

Comba, Peter, Dovalil, Nina, Hanson, Graeme R., Harmer, Jeffrey R., Noble, Christopher J., Riley, Mark J. and Seibold, Bjoern (2014). Insights into the Electronic Structure of CuII Bound to an Imidazole Analogue of Westiellamide.. Inorganic Chemistry, 53 (23), 12323-12336. doi: 10.1021/ic5014413

Diaryldichalcogenide radical cations

Mallow, Ole, Khanfar, Monther A., Malischewski, Moritz, Finke, Pamela, Hesse, Malte, Lork, Enno, Augenstein, Timo, Breher, Frank, Harmer, Jeffrey R., Vasileva, Nadezhda V., Zibarev, Andrey, Bogomyakov, Artem S., Seppelt, Konrad and Beckmann, Jens (2014). Diaryldichalcogenide radical cations. Chemical Science, 6 (1), 497-504. doi: 10.1039/c4sc02964j

Non-uniform sampling in EPR-optimizing data acquisition for HYSCORE spectroscopy

Nakka, K. K., Tesiram, Y. A., Brereton, I. M., Mobli, M. and Harmer, J. R. (2014). Non-uniform sampling in EPR-optimizing data acquisition for HYSCORE spectroscopy. Physical Chemistry Chemical Physics, 16 (31), 16378-16382. doi: 10.1039/c4cp02172j

EPR analysis of cyanide complexes of wild-type human neuroglobin and mutants in comparison to horse heart myoglobin

Van Doorslaer, Sabine, Trandafir, Florin, Harmer, Jeffrey R., Moens, Luc and Dewilde, Sylvia (2014). EPR analysis of cyanide complexes of wild-type human neuroglobin and mutants in comparison to horse heart myoglobin. Biophysical Chemistry, 190-191, 8-16. doi: 10.1016/j.bpc.2014.03.007

Sodium phosphaethynolate, Na(OCP), as a "P" transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals

Tondreau, Aaron M., Benkő, Zoltán, Harmer, Jeffrey R. and Grützmacher, Hansjörg (2014). Sodium phosphaethynolate, Na(OCP), as a "P" transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals. Chemical Science, 5 (4), 1545-1554. doi: 10.1039/C3SC53140F

Stable GaX2, InX2 and TlX2 radicals

Protchenko, Andrey V., Dange, Deepak, Harmer, Jeffrey R., Tang, Christina Y., Schwarz, Andrew D., Kelly, Michael J., Phillips, Nicholas, Tirfoin, Remi, Birjkumar, Krishna Hassomal, Jones, Cameron, Kaltsoyannis, Nikolas, Mountford, Philip and Aldridge, Simon (2014). Stable GaX2, InX2 and TlX2 radicals. Nature Chemistry, 6 (4), 315-319. doi: 10.1038/nchem.1870

Orientation-selective DEER using rigid spin labels, cofactors, metals, and clusters

Bowen, Alice M., Tait, Claudia E., Timmel, Christiane R. and Harmer, Jeffrey R. (2014). Orientation-selective DEER using rigid spin labels, cofactors, metals, and clusters. Structure and Bonding, 152, 283-328. doi: 10.1007/430_2013_115

Development of a metal-ion-mediated base pair for electron transfer in DNA

Ehrenschwender, Thomas, Schmucker, Wolfgang, Wellner, Christian, Augenstein, Timo, Carl, Patrick, Harmer, Jeffrey, Breher, Frank and Wagenknecht, Hans-Achim (2013). Development of a metal-ion-mediated base pair for electron transfer in DNA. Chemistry: A European Journal, 19 (37), 12547-12552. doi: 10.1002/chem.201300593

Erratum: EPR spectroscopic studies of the Fe-S clusters in the O2-Tolerant [NiFe]-Hydrogenase Hyd-1 from Escherichia coli and characterization of the unique [4Fe-3S] Cluster by HYSCORE

Roessler, Maxie M., Evans, Rhiannon M., Davies, Rosalind A., Harmer, Jeffrey and Armstrong, Fraser A. (2013). Erratum: EPR spectroscopic studies of the Fe-S clusters in the O2-Tolerant [NiFe]-Hydrogenase Hyd-1 from Escherichia coli and characterization of the unique [4Fe-3S] Cluster by HYSCORE. Journal of the American Chemical Society, 135 (10), 4159-4159. doi: 10.1021/ja312695k

Structural model for the protein-translocating element of the twin-arginine transport system

Rodriguez, Fernanda, Rouse, Sarah L., Tait, Claudia E., Harmer, Jeffrey, De Riso, Antonio, Timmel, Christiane R., Sansom, Mark S. P., Berks, Ben C. and Schnell, Jason R. (2013). Structural model for the protein-translocating element of the twin-arginine transport system. Proceedings of the National Academy of Sciences of the United States of America, 110 (12), E1092-E1101. doi: 10.1073/pnas.1219486110

140 H/D isotopomers identified by long-range NMR hyperfine shifts in ruthenium(III) ammine complexes. Hyperconjugation in Ru-NH3 bonding

Laidlaw, W. Michael, Denning, Robert G., Green, Jennifer C., Boyd, Jonathan, Harmer, Jeffrey and Thompson, Amber L. (2013). 140 H/D isotopomers identified by long-range NMR hyperfine shifts in ruthenium(III) ammine complexes. Hyperconjugation in Ru-NH3 bonding. Inorganic Chemistry, 52 (12), 7280-7294. doi: 10.1021/ic400903a

Multielement NMR studies of the liquid-liquid phase separation and the metal-to-nonmetal transition in fluid lithium- and sodium-ammonia solutions

Lodge, Matthew T. J. H., Cullen, P., Rees, Nicholas H., Spencer, Neil, Maeda, Kiminori, Harmer, Jeffrey R., Jones, Martin O. and Edwards, Peter P. (2013). Multielement NMR studies of the liquid-liquid phase separation and the metal-to-nonmetal transition in fluid lithium- and sodium-ammonia solutions. Journal of Physical Chemistry B, 117 (42), 13322-13334. doi: 10.1021/jp404023j

Preface

Timmel, Christiane R. and Harmer, Jeffrey R. (2013). Preface. Structure and Bonding, 152, v-viii.

DEER-Stitch: combining three- and four-pulse DEER measurements for high sensitivity, deadtime free data

Lovett, J. E., Lovett, B. W. and Harmer, J. (2012). DEER-Stitch: combining three- and four-pulse DEER measurements for high sensitivity, deadtime free data. Journal of Magnetic Resonance, 223, 98-106. doi: 10.1016/j.jmr.2012.08.011

EPR spectroscopic studies of the Fe-S clusters in the O2- tolerant [NiFe]-hydrogenase Hyd-1 from Escherichia coli and characterization of the unique [4Fe-3S] cluster by HYSCORE

Roessler, Maxie M., Evans, Rhiannon M., Davies, Rosalind A., Harmer, Jeffrey and Armstrong, Fraser A. (2012). EPR spectroscopic studies of the Fe-S clusters in the O2- tolerant [NiFe]-hydrogenase Hyd-1 from Escherichia coli and characterization of the unique [4Fe-3S] cluster by HYSCORE. Journal of the American Chemical Society, 134 (37), 15581-15594. doi: 10.1021/ja307117y

Electron tunneling in lithium-ammonia solutions probed by frequency-dependent electron spin relaxation studies

Maeda, Kiminori, Lodge, Matthew T. J., Harmer, Jeffrey, Freed, Jack H. and Edwards, Peter P. (2012). Electron tunneling in lithium-ammonia solutions probed by frequency-dependent electron spin relaxation studies. Journal of the American Chemical Society, 134 (22), 9209-9218. doi: 10.1021/ja212015b

Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme

Bell, Stephen G., Yang, Wen, Yorke, Jake A., Zhou, Weihong, Wang, Hui, Harmer, Jeffrey, Copley, Rachel, Zhang, Aili, Zhou, Ruimin, Bartlam, Mark, Rao, Zihe and Wong, Luet-Lok (2012). Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme. Acta Crystallographica Section D: Biological Crystallography, 68 (3), 277-291. doi: 10.1107/S090744491200145X

An aqueous non-heme Fe(IV)oxo complex with a basic group in the second coordination sphere

Vad, Mads Sorensen, Lennartson, Anders, Nielsen, Anne, Harmer, Jeffrey, McGrady, John E., Frandsen, Cathrine, Morup, Steen and McKenzie, Christine J. (2012). An aqueous non-heme Fe(IV)oxo complex with a basic group in the second coordination sphere. Chemical Communications, 48 (88), 10880-10882. doi: 10.1039/c2cc35746a

Characterisation of the paramagnetic [2Fe-2S](+) centre in palustrisredoxin-B (PuxB) from Rhodopseudomonas palustris CGA009: g-matrix determination and spin coupling analysis

Abdalla, Joseph A. B., Bowen, Alice M., Bell, Stephen G., Wong, Luet L., Timmel, Christiane R. and Harmer, Jeffrey (2012). Characterisation of the paramagnetic [2Fe-2S](+) centre in palustrisredoxin-B (PuxB) from Rhodopseudomonas palustris CGA009: g-matrix determination and spin coupling analysis. Physical Chemistry Chemical Physics, 14 (18), 6526-6537. doi: 10.1039/c2cp24112a

Covalency in the 4f Shell of tris-Cyclopentadienyl Ytterbium (YbCp3)-A spectroscopic evaluation

Denning, Robert G., Harmer, Jeffrey, Green, Jennifer C. and Irwin, Mark (2011). Covalency in the 4f Shell of tris-Cyclopentadienyl Ytterbium (YbCp3)-A spectroscopic evaluation. Journal of the American Chemical Society, 133 (50), 20644-20660. doi: 10.1021/ja209311g

Erratum: How Escherichia coli is equipped to oxidize hydrogen under different redox conditions (The Journal Of Biological Chemistry (2010) 285, (3928-3938) DOI: 10.1074/jbc.A109.067751)

Lukey, Michael J., Parkin, Alison, Roessler, Maxie M., Murphy, Bonnie J., Harmer, Jeffrey, Palmer, Tracy, Sargent, Frank and Armstrong, Fraser A. (2010). Erratum: How Escherichia coli is equipped to oxidize hydrogen under different redox conditions (The Journal Of Biological Chemistry (2010) 285, (3928-3938) DOI: 10.1074/jbc.A109.067751). Journal of Biological Chemistry, 285 (26).

Size dependent oxygen buffering capacity of ceria nanocrystals

Xu, Jiahui, Harmer, Jeffrey, Li, Guoqiang, Chapman, Thomas, Collier, Paul, Longworth, Sarennah and Tsang, Shik Chi (2010). Size dependent oxygen buffering capacity of ceria nanocrystals. Chemical Communications, 46 (11), 1887-1889. doi: 10.1039/b923780a

Electromeric rhodium radical complexes (Angewandte Chemie International Edition (2010), 49)

Puschmann, F. F., Harmer, J., Stein, D., Rüegger, H., De Bruin, B. and Grützmacher, H. (2010). Electromeric rhodium radical complexes (Angewandte Chemie International Edition (2010), 49). Angewandte Chemie - International Edition, 49 (11), 1909-1909. doi: 10.1002/anie.201090028

Direct assignment of EPR spectra to structurally defined iron-sulfur clusters in complex I by double electron-electron resonance

Roessler, Maxie M., King, Martin S., Robinson, Alan J., Armstrong, Fraser A., Harmer, Jeffrey and Hirst, Judy (2010). Direct assignment of EPR spectra to structurally defined iron-sulfur clusters in complex I by double electron-electron resonance. Proceedings of the National Academy of Sciences of the United States of America, 107 (5), 1930-1935. doi: 10.1073/pnas.0908050107

How Escherichia coli is equipped to oxidize hydrogen under different redox conditions

Lukey, Michael J., Parkin, Alison, Roessler, Maxie M., Murphy, Bonnie J., Harmer, Jeffrey, Palmer, Tracy, Sargent, Frank and Armstrong, Fraser A. (2010). How Escherichia coli is equipped to oxidize hydrogen under different redox conditions. Journal of Biological Chemistry, 285 (6), 3928-3938. doi: 10.1074/jbc.M109.067751

A critical evaluation of the mode of incorporation of nitrogen in doped anatase photocatalysts

Oropeza, Freddy E., Harmer, J., Egdell, R. G. and Palgrave, Robert G. (2010). A critical evaluation of the mode of incorporation of nitrogen in doped anatase photocatalysts. Physical Chemistry Chemical Physics, 12 (4), 960-969. doi: 10.1039/b914733k

Electromeric rhodium radical complexes

Puschmann, Florian Frank, Harmer, Jeffrey, Stein, Daniel, Rueegger, Heinz, de Bruin, Bas and Gruetzmacher, Hansjoerg (2010). Electromeric rhodium radical complexes. Angewandte Chemie International Edition, 49 (2), 385-389. doi: 10.1002/anie.200903201

Binding of coenzyme B induces a major conformational change in the active site of methyl-coenzyme M reductas

Ebner, Sieglinde, Jaun, Bernhard, Goenrich, Meike, Thauer, Rudolf K. and Harmer, Jeffrey (2010). Binding of coenzyme B induces a major conformational change in the active site of methyl-coenzyme M reductas. Journal of the American Chemical Society, 132 (2), 567-575. doi: 10.1021/ja906367h

Using EPR to follow reversible dihydrogen addition to paramagnetic clusters of high hydride count: [Rh-6(PCy3)(6)H-12](+) and [Rh-6(PCy3)(6)H-14](+)

Hiney, Rachel M., Chaplin, Adrian B., Harmer, Jeffrey, Green, Jennifer C. and Weller, Andrew S. (2010). Using EPR to follow reversible dihydrogen addition to paramagnetic clusters of high hydride count: [Rh-6(PCy3)(6)H-12](+) and [Rh-6(PCy3)(6)H-14](+). Dalton Transactions, 39 (7), 1726-1733. doi: 10.1039/b919209c

Cryogenic 35 GHz pulse ENDOR probehead accommodating large sample sizes: performance and applications

Tschaggelar, Rene, Kasumaj, Besnik, Santangelo, Maria Grazia, Forrer, Joerg, Leger, Patrik, Dube, Henry, Diederich, Francois, Harmer, Jeffrey, Schuhmann, Rolf, Garcia-Rubio, Ines and Jeschke, Gunnar (2009). Cryogenic 35 GHz pulse ENDOR probehead accommodating large sample sizes: performance and applications. Journal of Magnetic Resonance, 200 (1), 81-87. doi: 10.1016/j.jmr.2009.06.007

Electron spin resonance investigation of hydrogen absorption in ball-milled graphite

Smith, Christopher I., Miyaoka, Hiroki, Ichikawa, Takayuki, Jones, Martin O., Harmer, Jeffrey, Ishida, Wataru, Edwards, Peter P., Kojima, Yoshitsugu and Fuji, Hironobu (2009). Electron spin resonance investigation of hydrogen absorption in ball-milled graphite. Journal of Physical Chemistry C, 113 (14), 5409-5416. doi: 10.1021/jp809902r

Structural information from orientationally selective DEER spectroscopy

Lovett, J. E., Bowen, A. M., Timmel, C. R., Jones, M. W., Dilworth, J. R., Caprotti, D., Bell, S. G., Wong, L. L. and Harmer, J. (2009). Structural information from orientationally selective DEER spectroscopy. Physical Chemistry Chemical Physics, 11 (31), 6840-6848. doi: 10.1039/b907010a

Syntheses, Structures and Electronic Properties of Zwitterionic Iron(II) and Cobalt(II) Complexes Featuring Ambidentate Tris(pyrazolyl)methanide Ligands

Kuzu, Istemi, Krummenacher, Ivo, Hewitt, Ian J., Lan, Yanhua, Mereacre, Valeriu, Powell, Annie K., Hoefer, Peter, Harmer, Jeffrey and Breher, Frank (2009). Syntheses, Structures and Electronic Properties of Zwitterionic Iron(II) and Cobalt(II) Complexes Featuring Ambidentate Tris(pyrazolyl)methanide Ligands. Chemistry: A European Journal, 15 (17), 4350-4365. doi: 10.1002/chem.200802317

Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase

Hinderberger, Dariush, Ebner, Sieglinde, Mayr, Stefan, Jaun, Bernhard, Reiher, Markus, Goenrich, Meike, Thauer, Rudolf K. and Harmer, Jeffrey (2008). Coordination and binding geometry of methyl-coenzyme M in the red1m state of methyl-coenzyme M reductase. Journal of Biological Inorganic Chemistry, 13 (8), 1275-1289. doi: 10.1007/s00775-008-0417-0

Rhodium and iridium amino, amido, and aminyl radical complexes

Donati, Nicola, Stein, Daniel, Buettner, Torsten, Schoenberg, Hartmut, Harmer, Jeffrey, Anadaram, Sreekanth and Gruetzmacher, Hansjoerg (2008). Rhodium and iridium amino, amido, and aminyl radical complexes. European Journal of Inorganic Chemistry, 2008 (30), 4691-4703. doi: 10.1002/ejic.200800702

A nickel hydride complex in the active site of methyl-coenzyme M reductase: implications for the catalytic cycle

Harmer, Jeffrey, Finazzo, Cinzia, Piskorski, Rafal, Ebner, Sieglinde, Duin, Evert C., Goenrich, Meike, Thauer, Rudolf K., Reiher, Markus, Schweiger, Arthur, Hinderberger, Dariush and Jaun, Bernhard (2008). A nickel hydride complex in the active site of methyl-coenzyme M reductase: implications for the catalytic cycle. Journal of the American Chemical Society, 130 (33), 10907-10920. doi: 10.1021/ja710949e

Cryogenic Q-band (35 GHz) probehead featuring large excitation microwave fields for pulse and continuous wave electron paramagnetic resonance spectroscopy: Performance and applications

Forrer, Joerg, Garcia-Rubio, Ines, Schuhmam, Rolf, Tschaggelar, Rene and Harmer, Jeffrey (2008). Cryogenic Q-band (35 GHz) probehead featuring large excitation microwave fields for pulse and continuous wave electron paramagnetic resonance spectroscopy: Performance and applications. Journal of Magnetic Resonance, 190 (2), 280-291. doi: 10.1016/j.jmr.2007.11.009

Photoisomerization of a fullerene dimer

Zhang, Jinying, Porfyrakis, Kyriakos, Morton, John J. L., Sambrook, Mark R., Harmer, Jeffrey, Xiao, Li, Ardavan, Arzhang and Briggs, G. Andrew D. (2008). Photoisomerization of a fullerene dimer. Journal of Physical Chemistry C, 112 (8), 2802-2804. doi: 10.1021/jp711861z

A comparative study of the electronic structures of SrCu(2)O(2) and PbCu(2)O(2) by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy

Godinho, K. G., Watson, G. W., Walsh, A., Green, A. J. H., Payne, D. J., Harmer, J. and Egdell, R. G. (2008). A comparative study of the electronic structures of SrCu(2)O(2) and PbCu(2)O(2) by density functional theory, high resolution X-ray photoemission and electron paramagnetic resonance spectroscopy. Journal of Materials Chemistry, 18 (24), 2798-2806. doi: 10.1039/b719364e

Two sub-states of the red2 state of methyl-coenzyme M reductase revealed by high-field EPR spectroscopy

Kern, Denise I., Goenrich, Meike, Jaun, Bernhard, Thauer, Rudolf K., Harmer, Jeffrey and Hinderberger, Dariush (2007). Two sub-states of the red2 state of methyl-coenzyme M reductase revealed by high-field EPR spectroscopy. Journal of Biological Inorganic Chemistry, 12 (8), 1097-1105. doi: 10.1007/s00775-007-0281-3

Formation of a nickel-methyl species in methyl-coenzyme M reductase, an enzyme catalyzing methane formation

Yang, Na, Reiher, Markus, Wang, Mi, Harmer, Jeffrey and Duin, Evert C. (2007). Formation of a nickel-methyl species in methyl-coenzyme M reductase, an enzyme catalyzing methane formation. Journal of the American Chemical Society, 129 (36), 11028-11029. doi: 10.1021/ja0734501

Mechanistic insights into stereoselective catalysis - The effects of counterions in a CuII-bissulfoximine-catalyzed diels-alder reaction

Bolm, Carsten, Martin, Marc, Gescheidt, Georg, Palivan, Cornelia, Stanoeva, Tsvetanka, Bertagnolli, Helmut, Feth, Martin, Schweiger, Arthur, Mitrikas, George and Harmer, Jeffrey (2007). Mechanistic insights into stereoselective catalysis - The effects of counterions in a CuII-bissulfoximine-catalyzed diels-alder reaction. Chemistry - A European Journal, 13 (6), 1842-1850. doi: 10.1002/chem.200601086

Metalloenzyme-inspired catalysis: Selective oxidation of primary alcohols with an iridium-aminyl-radical complex

Koenigsmann, Martin, Donati, Nicola, Stein, Daniel, Schoenberg, Hartmut, Harmer, Jeffrey, Sreekanth, Anandaram and Gruetzmacher, Hansjoerg (2007). Metalloenzyme-inspired catalysis: Selective oxidation of primary alcohols with an iridium-aminyl-radical complex. Angewandte Chemie-International Edition, 46 (19), 3567-3570. doi: 10.1002/anie.200605170

Radio frequencies in EPR: Conventional and advanced use

Gromov, I. A. and Harmer, J. (2007). Radio frequencies in EPR: Conventional and advanced use. Applied Magnetic Resonance, 31 (3-4), 627-647. doi: 10.1007/BF03166607

A tetracoordinated rhodium aminyl radical complex

Maire, P, Konigsmann, M, Sreekanth, A, Harmer, J, Schweiger, A and Grutzmacher, H (2006). A tetracoordinated rhodium aminyl radical complex. Journal of the American Chemical Society, 128 (20), 6578-6580. doi: 10.1021/ja0612798

A nickel-alkyl bond in an inactivated state of the enzyme catalyzing methane formation

Hinderberger, D, Piskorski, RR, Goenrich, M, Thauer, RK, Schweiger, A, Harmer, J and Jaun, B (2006). A nickel-alkyl bond in an inactivated state of the enzyme catalyzing methane formation. Angewandte Chemie-International Edition, 45 (22), 3602-3607. doi: 10.1002/anie.200600366

Pulse EPR methods for studying chemical and biological samples containing transition metals

Calle, Carlos, Sreekanth, Anandaram, Fedin, Matvey V., Forrer, Joerg, Garcia-Rubio, Ines, Gromov, Igor A., Hinderberger, Dariush, Kasumaj, Besnik, Leger, Patrick, Mancosu, Bruno, Mitrikas, George, Santangelo, Maria Grazia, Stoll, Stefan, Schweiger, Arthur, Tschaggelar, Rene and Harmer, Jeffrey (2006). Pulse EPR methods for studying chemical and biological samples containing transition metals. Helvetica Chimica Acta, 89 (10), 2495-2521. doi: 10.1002/hlca.200690229

Synthesis of a rhodaazacyclopropane and characterization of its radical ation by EPR spectroscopy

Maire, P, Sreekanth, A, Buttner, T, Harmer, J, Gromov, I, Ruegger, H, Breher, F, Schweiger, A and Grutzmacher, H (2006). Synthesis of a rhodaazacyclopropane and characterization of its radical ation by EPR spectroscopy. Angewandte Chemie-International Edition, 45 (20), 3265-3269. doi: 10.1002/anie.200504382

Spin density and coenzyme M coordination geometry of the ox1 form of methyl-coenzyme M reductase: A pulse EPR study

Harmer, J, Finazzo, C, Piskorski, R, Bauer, C, Jaun, B, Duin, EC, Goenrich, M, Thauer, RK, Van Doorslaer, S and Schweiger, A (2005). Spin density and coenzyme M coordination geometry of the ox1 form of methyl-coenzyme M reductase: A pulse EPR study. Journal of the American Chemical Society, 127 (50), 17744-17755. doi: 10.1021/ja053794w

A stable aminyl radical metal complex

Buttner, T, Geier, J, Frison, G, Harmer, J, Calle, C, Schweiger, A, Schonberg, H and Grutzmacher, H (2005). A stable aminyl radical metal complex. Science, 307 (5707), 235-238. doi: 10.1126/science.1106070

"Naked" phosphanediide chains and their fragmentation into diphosphene radical anions

Geier, J, Harmer, J and Grutzmacher, H (2004). "Naked" phosphanediide chains and their fragmentation into diphosphene radical anions. Angewandte Chemie-International Edition, 43 (31), 4093-4097. doi: 10.1002/anie.200460130

Stereochemical control of the redox potential of tetracoordinate rhodium complexes

Laporte, C, Breher, F, Geier, J, Harmer, J, Schweiger, A and Grutzmacher, H (2004). Stereochemical control of the redox potential of tetracoordinate rhodium complexes. Angewandte Chemie-International Edition, 43 (19), 2567-2570. doi: 10.1002/anie.200353027

TROPDAD: A new ligand for the synthesis of water-stable paramagnetic [16+1]-electron rhodium and iridium complexes

Breher, F, Bohler, C, Frison, G, Harmer, J, Liesum, L, Schweiger, A and Grutzmacher, H (2003). TROPDAD: A new ligand for the synthesis of water-stable paramagnetic [16+1]-electron rhodium and iridium complexes. Chemistry-A European Journal, 9 (16), 3859-3866. doi: 10.1002/chem.200204700

Characterization of the MCRred2 form of methyl-coenzyme M reductase: a pulse EPR and ENDOR study

Finazzo, C, Harmer, J, Jaun, B, Duin, EC, Mahlert, F, Thauer, RK, Van Doorslaer, S and Schweiger, A (2003). Characterization of the MCRred2 form of methyl-coenzyme M reductase: a pulse EPR and ENDOR study. Journal of Biological Inorganic Chemistry, 8 (5), 586-593. doi: 10.1007/s00775-003-0450-y

Spectroscopic investigations of bis(sulfoximine) copper(II) complexes and their relevance in asymmetric catalysis

Bolm, C, Martin, M, Gescheidt, G, Palivan, C, Neshchadin, D, Bertagnolli, H, Feth, M, Schweiger, A, Mitrikas, G and Harmer, J (2003). Spectroscopic investigations of bis(sulfoximine) copper(II) complexes and their relevance in asymmetric catalysis. Journal of the American Chemical Society, 125 (20), 6222-6227. doi: 10.1021/ja027870w

Coenzyme B induced coordination of coenzyme M via its thiol group to Ni(I) of F-430 in active methyl-coenzyme M reductase

Finazzo, C, Harmer, J, Bauer, C, Jaun, B, Duin, EC, Mahlert, F, Goenrich, M, Thauer, RK, Van Doorslaer, S and Schweiger, A (2003). Coenzyme B induced coordination of coenzyme M via its thiol group to Ni(I) of F-430 in active methyl-coenzyme M reductase. Journal of the American Chemical Society, 125 (17), 4988-4989. doi: 10.1021/ja0344314

The coordination chemistry of the pentadentate 2,2,6,6-tetrakis(aminomethyl)-4-azaheptane (ditame)

Hegetschweiler, K, Maas, O, Zimmer, A, Geue, RJ, Sargeson, AM, Harmer, J, Schweiger, A, Buder, I, Schwitzgebel, G, Reiland, V and Frank, W (2003). The coordination chemistry of the pentadentate 2,2,6,6-tetrakis(aminomethyl)-4-azaheptane (ditame). European Journal of Inorganic Chemistry, 2003 (7), 1340-1354. doi: 10.1002/ejic.200390174

Corrin nitrogens and remote dimethylbenzimidazole nitrogen interactions in COb(II)alamin studied with HYSCORE at X- and Q-band

Harmer, J, Van Doorslaer, S, Gromov, I and Schweiger, A (2002). Corrin nitrogens and remote dimethylbenzimidazole nitrogen interactions in COb(II)alamin studied with HYSCORE at X- and Q-band. Chemical Physics Letters, 358 (1-2), 8-16. doi: 10.1016/S0009-2614(02)00521-3

A pulse EPR and ENDOR investigation of the electronic structure of a sigma-carbon-bonded cobalt(IV) corrole

Harmer, J, Van Doorslaer, S, Gromov, I, Broring, M, Jeschke, G and Schweiger, A (2002). A pulse EPR and ENDOR investigation of the electronic structure of a sigma-carbon-bonded cobalt(IV) corrole. Journal of Physical Chemistry B, 106 (10), 2801-2811. doi: 10.1021/jp013269t

High-resolution EPR spectroscopic investigations of a homologous set of d(9)-cobalt(0), d(9)-rhodium(0), and d(9)-iridium(0) complexes

Deblon, S, Liesum, L, Harmer, J, Schonberg, H, Schweiger, A and Grutzmacher, H (2002). High-resolution EPR spectroscopic investigations of a homologous set of d(9)-cobalt(0), d(9)-rhodium(0), and d(9)-iridium(0) complexes. Chemistry-A European Journal, 8 (3), 601-611. doi: 10.1002/1521-3765(20020201)8:3<601::AID-CHEM601>3.0.CO;2-C

Highly efficient phosphodiester hydrolysis promoted by a dinuclear copper(II) complex

Gajda, T, Dupre, Y, Torok, I, Harmer, J, Schweiger, A, Sander, J, Kuppert, D and Hegetschweiler, K (2001). Highly efficient phosphodiester hydrolysis promoted by a dinuclear copper(II) complex. Inorganic Chemistry, 40 (19), 4918-4927. doi: 10.1021/ic0005902

A rapid coal characterisation analysis by low-resolution NMR spectroscopy and partial least-squares regression

Harmer, JR, Callcott, TG, Maeder, M and Smith, BE (2001). A rapid coal characterisation analysis by low-resolution NMR spectroscopy and partial least-squares regression. Fuel, 80 (9), 1341-1349. doi: 10.1016/S0016-2361(01)00006-0

A novel approach for coal characterization by NMR spectroscopy: global analysis of proton T-1 and T-2 relaxations

Harmer, J, Callcott, T, Maeder, M and Smith, BE (2001). A novel approach for coal characterization by NMR spectroscopy: global analysis of proton T-1 and T-2 relaxations. Fuel, 80 (3), 417-425. doi: 10.1016/S0016-2361(00)00103-4

Electron Paramagnetic Resonance spectroscopy

Calle, C, Eichel, RA, Finazzo, C, Forrer, J, Granwehr, J, Gromov, I, Groth, W, Harmer, J, Kalin, M, Lammler, W, Liesum, L, Madi, Z, Stoll, S, Van Doorslaer, S and Schweiger, A (2001). Electron Paramagnetic Resonance spectroscopy. Chimia, 55 (10), 763-766.

New perspectives for olefin complexes: Synthesis and characterisation of stable rhodium(0) and iridium(0) complexes

Harmer, J, Frison, G, Rudolph, M, Schonberg, H, Deblon, S, Maire, P, Boulmaaz, S, Breher, F, Bohler, C, Ruegger, H, Schweiger, A and Grutzmacher, H (2003). New perspectives for olefin complexes: Synthesis and characterisation of stable rhodium(0) and iridium(0) complexes. 20th International Conference on Organometallic Chemistry (ICOMC), Corfu Greece, Jul 07-12, 2002. ROYAL SOC CHEMISTRY. doi: 10.1039/9781847551641-00222