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Items: 1 to 20 of 211

1.

Insights into the Mechanism of Phenylacetate Decarboxylase (PhdB), a Toluene-Producing Glycyl Radical Enzyme.

Rodrigues AV, Tantillo DJ, Mukhopadhyay A, Keasling JD, Beller H.

Chembiochem. 2019 Sep 11. doi: 10.1002/cbic.201900560. [Epub ahead of print]

PMID:
31512343
2.

Synthesis of Spirobicyclic Pyrazoles by Intramolecular Dipolar Cycloadditions/[1s, 5s] Sigmatropic Rearrangements.

Dimirjian CA, Castiñeira Reis M, Balmond EI, Turman NC, Rodriguez EP, Di Maso MJ, Fettinger JC, Tantillo DJ, Shaw JT.

Org Lett. 2019 Sep 20;21(18):7209-7212. doi: 10.1021/acs.orglett.9b02124. Epub 2019 Sep 5.

PMID:
31486651
3.

Synthesis and Optoelectronic Properties of New Methoxy-Substituted Diketopyrrolopyrrole Polymers.

Domokos A, Aronow SD, Tang T, Shevchenko NE, Tantillo DJ, Dudnik AS.

ACS Omega. 2019 May 30;4(5):9427-9433. doi: 10.1021/acsomega.9b01125. eCollection 2019 May 31.

4.

Ex Vivo Analysis of Tryptophan Metabolism Using 19F NMR.

Tombari RJ, Saunders CM, Wu CY, Dunlap LE, Tantillo DJ, Olson DE.

ACS Chem Biol. 2019 Sep 20;14(9):1866-1873. doi: 10.1021/acschembio.9b00548. Epub 2019 Aug 26.

PMID:
31449387
5.

Davis-Beirut Reaction: A Photochemical Brønsted Acid Catalyzed Route to N-Aryl 2H-Indazoles.

Kraemer N, Li CJ, Zhu JS, Larach JM, Tsui KY, Tantillo DJ, Haddadin MJ, Kurth MJ.

Org Lett. 2019 Aug 2;21(15):6058-6062. doi: 10.1021/acs.orglett.9b02213. Epub 2019 Jul 24.

PMID:
31339318
6.

Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions.

Zhu JS, Li CJ, Tsui KY, Kraemer N, Son JH, Haddadin MJ, Tantillo DJ, Kurth MJ.

J Am Chem Soc. 2019 Apr 17;141(15):6247-6253. doi: 10.1021/jacs.8b13481. Epub 2019 Apr 4.

PMID:
30912441
7.

Pushing the limits of concertedness. A waltz of wandering carbocations.

Castiñeira Reis M, López CS, Nieto Faza O, Tantillo DJ.

Chem Sci. 2018 Dec 11;10(7):2159-2170. doi: 10.1039/c8sc03567a. eCollection 2019 Feb 21.

8.

Formal [4 + 2] Cycloadditions of Anhydrides and α,β-Unsaturated N-Tosyl Ketimines.

Burlow NP, Howard SY, Saunders CM, Fettinger JC, Tantillo DJ, Shaw JT.

Org Lett. 2019 Feb 15;21(4):1046-1049. doi: 10.1021/acs.orglett.8b04091. Epub 2019 Feb 5.

PMID:
30721078
9.

Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions.

Hare SR, Li A, Tantillo DJ.

Chem Sci. 2018 Oct 4;9(48):8937-8945. doi: 10.1039/c8sc02653j. eCollection 2018 Dec 28.

10.

Correction: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.

McAlpine JB, Chen SN, Kutateladze A, MacMillan JB, Appendino G, Barison A, Beniddir MA, Biavatti MW, Bluml S, Boufridi A, Butler MS, Capon RJ, Choi YH, Coppage D, Crews P, Crimmins MT, Csete M, Dewapriya P, Egan JM, Garson MJ, Genta-Jouve G, Gerwick WH, Gross H, Harper MK, Hermanto P, Hook JM, Hunter L, Jeannerat D, Ji NY, Johnson TA, Kingston DGI, Koshino H, Lee HW, Lewin G, Li J, Linington RG, Liu M, McPhail KL, Molinski TF, Moore BS, Nam JW, Neupane RP, Niemitz M, Nuzillard JM, Oberlies NH, Ocampos FMM, Pan G, Quinn RJ, Reddy DS, Renault JH, Rivera-Chávez J, Robien W, Saunders CM, Schmidt TJ, Seger C, Shen B, Steinbeck C, Stuppner H, Sturm S, Taglialatela-Scafati O, Tantillo DJ, Verpoorte R, Wang BG, Williams CM, Williams PG, Wist J, Yue JM, Zhang C, Xu Z, Simmler C, Lankin DC, Bisson J, Pauli GF.

Nat Prod Rep. 2019 Jan 1;36(1):248-249. doi: 10.1039/c8np90041h. Epub 2018 Nov 23.

11.

A problem in the structure assignment of acremolin C, which is most probably identical with acremolin B.

Banert K, Tantillo DJ.

Nat Prod Res. 2019 Oct;33(20):3011-3015. doi: 10.1080/14786419.2018.1509330. Epub 2018 Nov 16.

PMID:
30445873
12.

Diterpene Synthase-Catalyzed Biosynthesis of Distinct Clerodane Stereoisomers.

Pelot KA, Hagelthorn DM, Hong YJ, Tantillo DJ, Zerbe P.

Chembiochem. 2019 Jan 2;20(1):111-117. doi: 10.1002/cbic.201800580. Epub 2018 Nov 28.

PMID:
30393911
13.

Secondary Carbocations in the Biosynthesis of Pupukeanane Sesquiterpenes.

McCulley CH, Tantillo DJ.

J Phys Chem A. 2018 Oct 11;122(40):8058-8061. doi: 10.1021/acs.jpca.8b07961. Epub 2018 Sep 27.

PMID:
30209949
14.

N-N Bond Formation between Primary Amines and Nitrosos: Direct Synthesis of 2-Substituted Indazolones with Mechanistic Insights.

Zhu JS, Kraemer N, Shatskikh ME, Li CJ, Son JH, Haddadin MJ, Tantillo DJ, Kurth MJ.

Org Lett. 2018 Aug 17;20(16):4736-4739. doi: 10.1021/acs.orglett.8b01655. Epub 2018 Aug 1.

15.

Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases-Bornyl Diphosphate Synthase as a Representative Case.

O'Brien TE, Bertolani SJ, Zhang Y, Siegel JB, Tantillo DJ.

ACS Catal. 2018 Apr 6;8(4):3322-3330. doi: 10.1021/acscatal.8b00342. Epub 2018 Mar 8.

16.

The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.

McAlpine JB, Chen SN, Kutateladze A, MacMillan JB, Appendino G, Barison A, Beniddir MA, Biavatti MW, Bluml S, Boufridi A, Butler MS, Capon RJ, Choi YH, Coppage D, Crews P, Crimmins MT, Csete M, Dewapriya P, Egan JM, Garson MJ, Genta-Jouve G, Gerwick WH, Gross H, Harper MK, Hermanto P, Hook JM, Hunter L, Jeannerat D, Ji NY, Johnson TA, Kingston DGI, Koshino H, Lee HW, Lewin G, Li J, Linington RG, Liu M, McPhail KL, Molinski TF, Moore BS, Nam JW, Neupane RP, Niemitz M, Nuzillard JM, Oberlies NH, Ocampos FMM, Pan G, Quinn RJ, Reddy DS, Renault JH, Rivera-Chávez J, Robien W, Saunders CM, Schmidt TJ, Seger C, Shen B, Steinbeck C, Stuppner H, Sturm S, Taglialatela-Scafati O, Tantillo DJ, Verpoorte R, Wang BG, Williams CM, Williams PG, Wist J, Yue JM, Zhang C, Xu Z, Simmler C, Lankin DC, Bisson J, Pauli GF.

Nat Prod Rep. 2019 Jan 1;36(1):35-107. doi: 10.1039/c7np00064b. Epub 2018 Jul 13. Review. Erratum in: Nat Prod Rep. 2018 Nov 23;:.

17.

Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C3) Sequences: Scope, Limitation, and Computational Investigations.

Kaufman RH, Law CM, Simanis JA, Woodall EL, Zwick CR 3rd, Wedler HB, Wendelboe P, Hamaker CG, Goodell JR, Tantillo DJ, Mitchell TA.

J Org Chem. 2018 Sep 7;83(17):9818-9838. doi: 10.1021/acs.joc.8b01322. Epub 2018 Jul 26.

PMID:
30001484
18.

Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.

Blümel M, Nagasawa S, Blackford K, Hare SR, Tantillo DJ, Sarpong R.

J Am Chem Soc. 2018 Jul 25;140(29):9291-9298. doi: 10.1021/jacs.8b05804. Epub 2018 Jul 13.

PMID:
29968475
19.

Questions in natural products synthesis research that can (and cannot) be answered using computational chemistry.

Tantillo DJ.

Chem Soc Rev. 2018 Oct 29;47(21):7845-7850. doi: 10.1039/c8cs00298c.

PMID:
29900461
20.

Using 1H and 13C NMR chemical shifts to determine cyclic peptide conformations: a combined molecular dynamics and quantum mechanics approach.

Nguyen QNN, Schwochert J, Tantillo DJ, Lokey RS.

Phys Chem Chem Phys. 2018 May 23;20(20):14003-14012. doi: 10.1039/c8cp01616j.

PMID:
29744489

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