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Items: 1 to 50 of 710

1.

Mechanism and Origins of Enantioselectivities in Spirobiindane-based Hypervalent Iodine(III) Induced Asymmetric Dearomatizing Spirolactonizations.

Zheng H, Sang Y, Houk KN, Xue XS, Cheng JP.

J Am Chem Soc. 2019 Sep 13. doi: 10.1021/jacs.9b08243. [Epub ahead of print]

PMID:
31514501
2.

Theoretical Study of Diastereoselective NHC-Catalyzed Cross-Benzoin Reactions between Furfural and N-Boc-Protected α-Amino Aldehydes.

Duan A, Fell JS, Yu P, Lam CY, Gravel M, Houk KN.

J Org Chem. 2019 Sep 12. doi: 10.1021/acs.joc.9b01821. [Epub ahead of print]

PMID:
31512872
3.

Exploring the molecular basis for substrate specificity in homologous macrolide biosynthetic cytochromes P450.

DeMars MD 2nd, Samora NL, Yang S, Garcia-Borràs M, Sanders JN, Houk KN, Podust LM, Sherman DH.

J Biol Chem. 2019 Sep 5. pii: jbc.RA119.010352. doi: 10.1074/jbc.RA119.010352. [Epub ahead of print]

4.

Activating Pyrimidines by Pre-distortion for the General Synthesis of 7-Aza-indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions.

Le Fouler V, Chen Y, Gandon V, Bizet V, Salomé C, Fessard T, Liu F, Houk KN, Blanchard N.

J Am Chem Soc. 2019 Sep 9. doi: 10.1021/jacs.9b07037. [Epub ahead of print]

PMID:
31475527
5.

Asymmetric Photocatalysis by Intramolecular Hydrogen-Atom Transfer in Photoexcited Catalyst-Substrate Complex.

Zhang C, Chen S, Ye CX, Harms K, Zhang L, Houk KN, Meggers E.

Angew Chem Int Ed Engl. 2019 Aug 30. doi: 10.1002/anie.201905647. [Epub ahead of print]

PMID:
31469211
6.

Enzymatic Intermolecular Hetero-Diels-Alder Reaction in the Biosynthesis of Tropolonic Sesquiterpenes.

Chen Q, Gao J, Jamieson C, Liu J, Ohashi M, Bai J, Yan D, Liu B, Che Y, Wang Y, Houk KN, Hu Y.

J Am Chem Soc. 2019 Sep 11;141(36):14052-14056. doi: 10.1021/jacs.9b06592. Epub 2019 Sep 3.

PMID:
31461283
7.

Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.

Cai Y, Hai Y, Ohashi M, Jamieson CS, Garcia-Borras M, Houk KN, Zhou J, Tang Y.

Nat Chem. 2019 Sep;11(9):812-820. doi: 10.1038/s41557-019-0294-x. Epub 2019 Jul 22.

PMID:
31332284
8.

Origins of Selective Formation of 5-Vinyl-2-methylene Furans from Oxyallyl/Diene (3+2) Cycloadditions with Pd(0) Catalysis.

Zou Y, Chen S, Houk KN.

J Am Chem Soc. 2019 Aug 7;141(31):12382-12387. doi: 10.1021/jacs.9b05762. Epub 2019 Jul 29.

PMID:
31328520
9.

Factors Controlling Reactivity in the Hydrogen Atom Transfer and Radical Addition Steps of a Radical Relay Cascade.

Zou Y, Xue XS, Deng Y, Smith AB 3rd, Houk KN.

Org Lett. 2019 Aug 2;21(15):5894-5897. doi: 10.1021/acs.orglett.9b02023. Epub 2019 Jul 15.

PMID:
31305084
10.

autoDIAS: a python tool for an automated distortion/interaction activation strain analysis.

Svatunek D, Houk KN.

J Comput Chem. 2019 Oct 30;40(28):2509-2515. doi: 10.1002/jcc.26023. Epub 2019 Jul 7.

PMID:
31281990
11.

Enabling microbial syringol conversion through structure-guided protein engineering.

Machovina MM, Mallinson SJB, Knott BC, Meyers AW, Garcia-Borràs M, Bu L, Gado JE, Oliver A, Schmidt GP, Hinchen DJ, Crowley MF, Johnson CW, Neidle EL, Payne CM, Houk KN, Beckham GT, McGeehan JE, DuBois JL.

Proc Natl Acad Sci U S A. 2019 Jul 9;116(28):13970-13976. doi: 10.1073/pnas.1820001116. Epub 2019 Jun 24.

12.

Acyclic Stereocontrol in the Additions of Nucleophilic Alkenes to α-Chiral N-Sulfonyl Imines.

Moore LC, Lo A, Fell JS, Duong MR, Moreno JA, Rich BE, Bravo M, Fettinger JC, Souza LW, Olmstead MM, Houk KN, Shaw JT.

Chemistry. 2019 Sep 18;25(52):12214-12220. doi: 10.1002/chem.201902790. Epub 2019 Aug 21.

PMID:
31226239
13.

Catalytic Asymmetric Staudinger-aza-Wittig Reaction for the Synthesis of Heterocyclic Amines.

Cai L, Zhang K, Chen S, Lepage RJ, Houk KN, Krenske EH, Kwon O.

J Am Chem Soc. 2019 Jun 19;141(24):9537-9542. doi: 10.1021/jacs.9b04803. Epub 2019 Jun 7.

PMID:
31184143
14.

Synthesis and Target Identification of a Novel Electrophilic Warhead, 2-Chloromethylquinoline.

Ni F, Ekanayake A, Espinosa B, Yu C, Sanders JN, Perino J, Houk KN, Zhang C.

Biochemistry. 2019 Jun 18;58(24):2715-2719. doi: 10.1021/acs.biochem.9b00359. Epub 2019 Jun 7.

PMID:
31181899
15.

Bacterial Tetrabromopyrrole Debrominase Shares a Reductive Dehalogenation Strategy with Human Thyroid Deiodinase.

Chekan JR, Lee GY, El Gamal A, Purdy TN, Houk KN, Moore BS.

Biochemistry. 2019 May 22. doi: 10.1021/acs.biochem.9b00318. [Epub ahead of print]

PMID:
31117392
16.

Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization.

Liu K, Kurukulasuriya R, Dykstra K, DiMichelle L, Liu J, Vachal P, Ogawa A, DeVita RJ, Shen DM, Tan Q, Chen Y, Gauthier D, Verras A, Crespo A, Zamlynny B, Madwed J, Hoek M, Bateman T, Yang YF, Houk KN, Krska S, Cernak T.

Bioorg Med Chem Lett. 2019 Jul 15;29(14):1854-1858. doi: 10.1016/j.bmcl.2019.04.024. Epub 2019 Apr 15.

PMID:
31104995
17.

Vinyl Carbocations Generated under Basic Conditions and Their Intramolecular C-H Insertion Reactions.

Wigman B, Popov S, Bagdasarian AL, Shao B, Benton TR, Williams CG, Fisher SP, Lavallo V, Houk KN, Nelson HM.

J Am Chem Soc. 2019 Jun 12;141(23):9140-9144. doi: 10.1021/jacs.9b02110. Epub 2019 May 29.

18.

Stable, Reactive, and Orthogonal Tetrazines: Dispersion Forces Promote the Cycloaddition with Isonitriles.

Tu J, Svatunek D, Parvez S, Liu AC, Levandowski BJ, Eckvahl HJ, Peterson RT, Houk KN, Franzini RM.

Angew Chem Int Ed Engl. 2019 Jul 1;58(27):9043-9048. doi: 10.1002/anie.201903877. Epub 2019 Jun 6.

PMID:
31062496
19.

Hyperconjugative π → σ*CF Interactions Stabilize the Enol Form of Perfluorinated Cyclic Keto-Enol Systems.

Levandowski BJ, Raines RT, Houk KN.

J Org Chem. 2019 May 17;84(10):6432-6436. doi: 10.1021/acs.joc.9b00825. Epub 2019 May 2.

PMID:
30990687
20.

An Unexpected Ireland-Claisen Rearrangement Cascade During the Synthesis of the Tricyclic Core of Curcusone C: Mechanistic Elucidation by Trial-and-Error and Automatic Artificial Force-Induced Reaction (AFIR) Computations.

Lee CW, Taylor BLH, Petrova GP, Patel A, Morokuma K, Houk KN, Stoltz BM.

J Am Chem Soc. 2019 May 1;141(17):6995-7004. doi: 10.1021/jacs.9b01146. Epub 2019 Apr 23.

PMID:
30907087
21.

Enzyme-Catalyzed Inverse-Electron Demand Diels-Alder Reaction in the Biosynthesis of Antifungal Ilicicolin H.

Zhang Z, Jamieson CS, Zhao YL, Li D, Ohashi M, Houk KN, Tang Y.

J Am Chem Soc. 2019 Apr 10;141(14):5659-5663. doi: 10.1021/jacs.9b02204. Epub 2019 Mar 26.

PMID:
30905148
22.

Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.

Zhang B, Wang KB, Wang W, Wang X, Liu F, Zhu J, Shi J, Li LY, Han H, Xu K, Qiao HY, Zhang X, Jiao RH, Houk KN, Liang Y, Tan RX, Ge HM.

Nature. 2019 Apr;568(7750):122-126. doi: 10.1038/s41586-019-1021-x. Epub 2019 Mar 13.

PMID:
30867595
23.

A Biocatalytic Platform for Synthesis of Chiral α-Trifluoromethylated Organoborons.

Huang X, Garcia-Borràs M, Miao K, Kan SBJ, Zutshi A, Houk KN, Arnold FH.

ACS Cent Sci. 2019 Feb 27;5(2):270-276. doi: 10.1021/acscentsci.8b00679. Epub 2019 Feb 1.

24.

Cycloadditions of Oxacyclic Allenes and a Catalytic Asymmetric Entryway to Enantioenriched Cyclic Allenes.

Yamano MM, Knapp RR, Ngamnithiporn A, Ramirez M, Houk KN, Stoltz BM, Garg NK.

Angew Chem Int Ed Engl. 2019 Apr 16;58(17):5653-5657. doi: 10.1002/anie.201900503. Epub 2019 Mar 20.

PMID:
30811080
25.

Generation of Dithianyl and Dioxolanyl Radicals Using Photoredox Catalysis: Application in the Total Synthesis of the Danshenspiroketallactones via Radical Relay Chemistry.

Deng Y, Nguyen MD, Zou Y, Houk KN, Smith AB 3rd.

Org Lett. 2019 Mar 15;21(6):1708-1712. doi: 10.1021/acs.orglett.9b00271. Epub 2019 Feb 26.

PMID:
30807194
26.

Structural Distortion of Cycloalkynes Influences Cycloaddition Rates both by Strain and Interaction Energies.

Hamlin TA, Levandowski BJ, Narsaria AK, Houk KN, Bickelhaupt FM.

Chemistry. 2019 May 2;25(25):6342-6348. doi: 10.1002/chem.201900295. Epub 2019 Mar 27.

27.

Reactivity Profiles of Diazo Amides, Esters, and Ketones in Transition-Metal-Free C-H Insertion Reactions.

Cleary SE, Li X, Yang LC, Houk KN, Hong X, Brewer M.

J Am Chem Soc. 2019 Feb 27;141(8):3558-3565. doi: 10.1021/jacs.8b12420. Epub 2019 Feb 13.

PMID:
30758200
28.

Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles.

Bertuzzi G, Thøgersen MK, Giardinetti M, Vidal-Albalat A, Simon A, Houk KN, Jørgensen KA.

J Am Chem Soc. 2019 Feb 20;141(7):3288-3297. doi: 10.1021/jacs.8b13659. Epub 2019 Feb 12.

PMID:
30746938
29.

Secondary Orbital Interactions Enhance the Reactivity of Alkynes in Diels-Alder Cycloadditions.

Levandowski BJ, Svatunek D, Sohr B, Mikula H, Houk KN.

J Am Chem Soc. 2019 Feb 13;141(6):2224-2227. doi: 10.1021/jacs.8b13088. Epub 2019 Jan 31.

PMID:
30693769
30.

Computational Protocol to Understand P450 Mechanisms and Design of Efficient and Selective Biocatalysts.

Caddell Haatveit K, Garcia-Borràs M, Houk KN.

Front Chem. 2019 Jan 11;6:663. doi: 10.3389/fchem.2018.00663. eCollection 2018. Review.

31.

Mechanism and Regioselectivity of an Unsymmetrical Hexadehydro-Diels-Alder (HDDA) Reaction.

Chen M, He CQ, Houk KN.

J Org Chem. 2019 Feb 15;84(4):1959-1963. doi: 10.1021/acs.joc.8b02865. Epub 2019 Feb 4.

PMID:
30672703
32.

Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.

Yen-Pon E, Champagne PA, Plougastel L, Gabillet S, Thuéry P, Johnson M, Muller G, Pieters G, Taran F, Houk KN, Audisio D.

J Am Chem Soc. 2019 Jan 30;141(4):1435-1440. doi: 10.1021/jacs.8b11465. Epub 2019 Jan 15.

PMID:
30628450
33.

Diels-Alder reactivities of cycloalkenediones with tetrazine.

Levandowski BJ, Hamlin TA, Eckvahl HJ, Bickelhaupt FM, Houk KN.

J Mol Model. 2019 Jan 9;25(2):33. doi: 10.1007/s00894-018-3909-z.

PMID:
30627945
34.

Transient [3,3] Cope rearrangement of 3,3-dicyano-1,5-dienes: computational analysis and 2-step synthesis of arylcycloheptanes.

Fereyduni E, Sanders JN, Gonzalez G, Houk KN, Grenning AJ.

Chem Sci. 2018 Sep 21;9(46):8760-8764. doi: 10.1039/c8sc03057j. eCollection 2018 Dec 14.

35.

Ambimodal Trispericyclic Transition State and Dynamic Control of Periselectivity.

Xue XS, Jamieson CS, Garcia-Borràs M, Dong X, Yang Z, Houk KN.

J Am Chem Soc. 2019 Jan 23;141(3):1217-1221. doi: 10.1021/jacs.8b12674. Epub 2019 Jan 14.

PMID:
30623652
36.

Genome-Mined Diels-Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B.

Tan D, Jamieson CS, Ohashi M, Tang MC, Houk KN, Tang Y.

J Am Chem Soc. 2019 Jan 16;141(2):769-773. doi: 10.1021/jacs.8b12010. Epub 2019 Jan 8.

37.

Impact of morphology, side-chains, and crystallinity on charge-transport properties of π-extended double helicenes.

Yavuz I, Lin JB, Houk KN.

Phys Chem Chem Phys. 2019 Jan 2;21(2):901-914. doi: 10.1039/c8cp06982d.

PMID:
30560256
38.

Solid-State Order and Charge Mobility in [5]- to [12]Cycloparaphenylenes.

Lin JB, Darzi ER, Jasti R, Yavuz I, Houk KN.

J Am Chem Soc. 2019 Jan 16;141(2):952-960. doi: 10.1021/jacs.8b10699. Epub 2018 Dec 28.

PMID:
30543112
39.

The mechanism of the triple aryne-tetrazine reaction cascade: theory and experiment.

Suh SE, Chen S, Houk KN, Chenoweth DM.

Chem Sci. 2018 Aug 23;9(39):7688-7693. doi: 10.1039/c8sc01796d. eCollection 2018 Oct 21.

40.

π-Facial Selectivities in Hydride Reductions of Hindered Endocyclic Iminium Ions.

Chen S, Chan AY, Walker MM, Ellman JA, Houk KN.

J Org Chem. 2019 Jan 4;84(1):273-281. doi: 10.1021/acs.joc.8b02603. Epub 2018 Dec 19.

PMID:
30516383
41.

Bioorthogonal release of sulfonamides and mutually orthogonal liberation of two drugs.

Shao Z, Liu W, Tao H, Liu F, Zeng R, Champagne PA, Cao Y, Houk KN, Liang Y.

Chem Commun (Camb). 2018 Dec 13;54(100):14089-14092. doi: 10.1039/c8cc08533a.

42.

Ambimodal Dipolar/Diels-Alder Cycloaddition Transition States Involving Proton Transfers.

Chen S, Yu P, Houk KN.

J Am Chem Soc. 2018 Dec 26;140(51):18124-18131. doi: 10.1021/jacs.8b11080. Epub 2018 Dec 14.

PMID:
30479123
43.

Catalytic Enantioselective Intramolecular C(sp3 )-H Amination of 2-Azidoacetamides.

Zhou Z, Chen S, Qin J, Nie X, Zheng X, Harms K, Riedel R, Houk KN, Meggers E.

Angew Chem Int Ed Engl. 2019 Jan 21;58(4):1088-1093. doi: 10.1002/anie.201811927. Epub 2018 Dec 20.

PMID:
30475437
44.

Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation Where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions.

Bay KL, Yang YF, Houk KN.

J Org Chem. 2018 Dec 7;83(23):14786-14790. doi: 10.1021/acs.joc.8b02416. Epub 2018 Nov 15.

PMID:
30403854
45.

Hyperconjugative Aromaticity and Antiaromaticity Control the Reactivities and π-Facial Stereoselectivities of 5-Substituted Cyclopentadiene Diels-Alder Cycloadditions.

Levandowski BJ, Zou L, Houk KN.

J Org Chem. 2018 Dec 7;83(23):14658-14666. doi: 10.1021/acs.joc.8b02537. Epub 2018 Nov 19.

46.

Controlling, Understanding, and Redirecting the Thermal Rearrangement of 3,3-Dicyano-1,5-enynes.

Scott SK, Sanders JN, White KE, Yu RA, Houk KN, Grenning AJ.

J Am Chem Soc. 2018 Nov 28;140(47):16134-16139. doi: 10.1021/jacs.8b08553. Epub 2018 Nov 12.

47.

Mild Ring-Opening 1,3-Hydroborations of Non-Activated Cyclopropanes.

Wang D, Xue XS, Houk KN, Shi Z.

Angew Chem Int Ed Engl. 2018 Dec 17;57(51):16861-16865. doi: 10.1002/anie.201811036. Epub 2018 Nov 21.

PMID:
30370972
48.

Mechanism and Origins of Chemo- and Stereoselectivities of Aryl Iodide-Catalyzed Asymmetric Difluorinations of β-Substituted Styrenes.

Zhou B, Haj MK, Jacobsen EN, Houk KN, Xue XS.

J Am Chem Soc. 2018 Nov 14;140(45):15206-15218. doi: 10.1021/jacs.8b05935. Epub 2018 Nov 5.

PMID:
30350956
49.

The expanding world of biosynthetic pericyclases: cooperation of experiment and theory for discovery.

Jamieson CS, Ohashi M, Liu F, Tang Y, Houk KN.

Nat Prod Rep. 2019 May 22;36(5):698-713. doi: 10.1039/c8np00075a. Review.

PMID:
30311924
50.

Mechanism of Permanganate-Promoted Dihydroxylation of Complex Diketopiperazines: Critical Roles of Counter-cation and Ion-Pairing.

Haines BE, Nelson BM, Grandner JM, Kim J, Houk KN, Movassaghi M, Musaev DG.

J Am Chem Soc. 2018 Oct 17;140(41):13375-13386. doi: 10.1021/jacs.8b08371. Epub 2018 Oct 8.

PMID:
30295476

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