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Items: 1 to 50 of 129

1.

Control of electron transfer in nitrogenase.

Seefeldt LC, Peters JW, Beratan DN, Bothner B, Minteer SD, Raugei S, Hoffman BM.

Curr Opin Chem Biol. 2018 Sep 8;47:54-59. doi: 10.1016/j.cbpa.2018.08.011. [Epub ahead of print] Review.

PMID:
30205289
2.

Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability.

Teo RD, Terai K, Migliore A, Beratan DN.

Phys Chem Chem Phys. 2018 Sep 7. doi: 10.1039/c8cp04816a. [Epub ahead of print]

PMID:
30191207
3.

Energy Transduction in Nitrogenase.

Seefeldt LC, Hoffman BM, Peters JW, Raugei S, Beratan DN, Antony E, Dean DR.

Acc Chem Res. 2018 Sep 18;51(9):2179-2186. doi: 10.1021/acs.accounts.8b00112. Epub 2018 Aug 10.

PMID:
30095253
4.

A new era for electron bifurcation.

Peters JW, Beratan DN, Bothner B, Dyer RB, Harwood CS, Heiden ZM, Hille R, Jones AK, King PW, Lu Y, Lubner CE, Minteer SD, Mulder DW, Raugei S, Schut GJ, Seefeldt LC, Tokmina-Lukaszewska M, Zadvornyy OA, Zhang P, Adams MW.

Curr Opin Chem Biol. 2018 Aug 1;47:32-38. doi: 10.1016/j.cbpa.2018.07.026. [Epub ahead of print] Review.

PMID:
30077080
5.

A Nonequilibrium Molecular Dynamics Study of Infrared Perturbed Electron Transfer.

Ma Z, Antoniou P, Zhang P, Skourtis SS, Beratan DN.

J Chem Theory Comput. 2018 Sep 11;14(9):4818-4832. doi: 10.1021/acs.jctc.8b00001. Epub 2018 Aug 22.

PMID:
30005159
6.

On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions.

Peters JW, Beratan DN, Schut GJ, Adams MWW.

Chem Commun (Camb). 2018 Apr 19;54(33):4091-4099. doi: 10.1039/c8cc01530a.

PMID:
29624194
7.

Charge splitters and charge transport junctions based on guanine quadruplexes.

Sha R, Xiang L, Liu C, Balaeff A, Zhang Y, Zhang P, Li Y, Beratan DN, Tao N, Seeman NC.

Nat Nanotechnol. 2018 Apr;13(4):316-321. doi: 10.1038/s41565-018-0070-x. Epub 2018 Feb 26.

PMID:
29483600
8.

Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles.

Rousseau BJG, Shafei S, Migliore A, Stanley RJ, Beratan DN.

J Am Chem Soc. 2018 Feb 28;140(8):2853-2861. doi: 10.1021/jacs.7b11926. Epub 2018 Feb 13.

PMID:
29401372
9.

De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy.

Polizzi NF, Wu Y, Lemmin T, Maxwell AM, Zhang SQ, Rawson J, Beratan DN, Therien MJ, DeGrado WF.

Nat Chem. 2017 Dec;9(12):1157-1164. doi: 10.1038/nchem.2846. Epub 2017 Aug 21.

10.

Mean First-Passage Times in Biology.

Polizzi NF, Therien MJ, Beratan DN.

Isr J Chem. 2016 Nov;56(9-10):816-824. doi: 10.1002/ijch.201600040. Epub 2016 Aug 5.

11.

Controlling the excited-state dynamics of low band gap, near-infrared absorbers via proquinoidal unit electronic structural modulation.

Bai Y, Rawson J, Roget SA, Olivier JH, Lin J, Zhang P, Beratan DN, Therien MJ.

Chem Sci. 2017 Sep 1;8(9):5889-5901. doi: 10.1039/c7sc02150j. Epub 2017 Jun 7.

12.

Electron Bifurcation: Thermodynamics and Kinetics of Two-Electron Brokering in Biological Redox Chemistry.

Zhang P, Yuly JL, Lubner CE, Mulder DW, King PW, Peters JW, Beratan DN.

Acc Chem Res. 2017 Sep 19;50(9):2410-2417. doi: 10.1021/acs.accounts.7b00327. Epub 2017 Sep 6.

PMID:
28876046
13.

Chirality Control of Electron Transfer in Quantum Dot Assemblies.

Bloom BP, Graff BM, Ghosh S, Beratan DN, Waldeck DH.

J Am Chem Soc. 2017 Jul 5;139(26):9038-9043. doi: 10.1021/jacs.7b04639. Epub 2017 Jun 26.

PMID:
28609095
14.

Effects of the Backbone and Chemical Linker on the Molecular Conductance of Nucleic Acid Duplexes.

Beall E, Ulku S, Liu C, Wierzbinski E, Zhang Y, Bae Y, Zhang P, Achim C, Beratan DN, Waldeck DH.

J Am Chem Soc. 2017 May 17;139(19):6726-6735. doi: 10.1021/jacs.7b02260. Epub 2017 May 4.

PMID:
28434220
15.

Large Hyperpolarizabilities at Telecommunication-Relevant Wavelengths in Donor-Acceptor-Donor Nonlinear Optical Chromophores.

Nayak A, Park J, De Mey K, Hu X, Duncan TV, Beratan DN, Clays K, Therien MJ.

ACS Cent Sci. 2016 Dec 28;2(12):954-966. doi: 10.1021/acscentsci.6b00291. Epub 2016 Dec 16.

16.

DNA charge transfer: Hot holes break the speed limit.

Beratan DN, Waldeck DH.

Nat Chem. 2016 Oct 21;8(11):992-993. doi: 10.1038/nchem.2655. No abstract available.

PMID:
27768105
17.

Engineering nanometre-scale coherence in soft matter.

Liu C, Xiang L, Zhang Y, Zhang P, Beratan DN, Li Y, Tao N.

Nat Chem. 2016 Oct;8(10):941-5. doi: 10.1038/nchem.2545. Epub 2016 Jun 20.

PMID:
27657870
18.

Dexter energy transfer pathways.

Skourtis SS, Liu C, Antoniou P, Virshup AM, Beratan DN.

Proc Natl Acad Sci U S A. 2016 Jul 19;113(29):8115-20. doi: 10.1073/pnas.1517189113. Epub 2016 Jul 5.

19.

Coarse-Grained Theory of Biological Charge Transfer with Spatially and Temporally Correlated Noise.

Liu C, Beratan DN, Zhang P.

J Phys Chem B. 2016 Apr 21;120(15):3624-33. doi: 10.1021/acs.jpcb.6b01018. Epub 2016 Apr 8.

PMID:
27008541
20.

Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra.

Zheng L, Polizzi NF, Dave AR, Migliore A, Beratan DN.

J Phys Chem A. 2016 Mar 24;120(11):1933-43. doi: 10.1021/acs.jpca.6b00692. Epub 2016 Mar 15.

21.

Diverse Optimal Molecular Libraries for Organic Light-Emitting Diodes.

Rupakheti C, Al-Saadon R, Zhang Y, Virshup AM, Zhang P, Yang W, Beratan DN.

J Chem Theory Comput. 2016 Apr 12;12(4):1942-52. doi: 10.1021/acs.jctc.5b00829. Epub 2016 Mar 28.

PMID:
26950518
22.

Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein.

Polizzi NF, Eibling MJ, Perez-Aguilar JM, Rawson J, Lanci CJ, Fry HC, Beratan DN, Saven JG, Therien MJ.

J Am Chem Soc. 2016 Feb 24;138(7):2130-3. doi: 10.1021/jacs.5b13180. Epub 2016 Feb 11.

23.

Correction to Full Electron Ligand-to-Ligand Charge Transfer in a Compact Rhenium(I) Complex.

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV.

J Phys Chem A. 2016 Jan 28;120(3):473. doi: 10.1021/acs.jpca.6b00093. Epub 2016 Jan 13. No abstract available.

PMID:
26760901
24.

Correction to "Evaluating the Extent of Intramolecular Charge Transfer in the Excited States of Rhenium(I) Donor-Acceptor Complexes with Time-Resolved Vibrational Spectroscopy".

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Pham TT, Mague JT, Donahue JP, Schmehl RH, Beratan DN, Rubtsov IV.

J Phys Chem B. 2016 Jan 28;120(3):596. doi: 10.1021/acs.jpcb.5b12238. Epub 2016 Jan 13. No abstract available.

PMID:
26760675
25.

Correction: Electron transfer rate modulation in a compact Re(i) donor-acceptor complex.

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV.

Dalton Trans. 2016 Jan 14;45(2):842. doi: 10.1039/c5dt90221e.

PMID:
26661995
26.

Defusing redox bombs?

Polizzi NF, Migliore A, Therien MJ, Beratan DN.

Proc Natl Acad Sci U S A. 2015 Sep 1;112(35):10821-2. doi: 10.1073/pnas.1513520112. Epub 2015 Aug 19. No abstract available.

27.

Conformationally Gated Charge Transfer in DNA Three-Way Junctions.

Zhang Y, Young RM, Thazhathveetil AK, Singh AP, Liu C, Berlin YA, Grozema FC, Lewis FD, Ratner MA, Renaud N, Siriwong K, Voityuk AA, Wasielewski MR, Beratan DN.

J Phys Chem Lett. 2015 Jul 2;6(13):2434-8. doi: 10.1021/acs.jpclett.5b00863. Epub 2015 Jun 11.

PMID:
26266714
28.

Sensing of molecules using quantum dynamics.

Migliore A, Naaman R, Beratan DN.

Proc Natl Acad Sci U S A. 2015 May 12;112(19):E2419-28. doi: 10.1073/pnas.1502000112. Epub 2015 Apr 24. Erratum in: Proc Natl Acad Sci U S A. 2015 Jun 23;112(25):E3310.

29.

Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime.

Antoniou P, Ma Z, Zhang P, Beratan DN, Skourtis SS.

Phys Chem Chem Phys. 2015 Dec 14;17(46):30854-66. doi: 10.1039/c5cp00610d.

PMID:
25909507
30.

Charge Transport across DNA-Based Three-Way Junctions.

Young RM, Singh AP, Thazhathveetil AK, Cho VY, Zhang Y, Renaud N, Grozema FC, Beratan DN, Ratner MA, Schatz GC, Berlin YA, Lewis FD, Wasielewski MR.

J Am Chem Soc. 2015 Apr 22;137(15):5113-22. doi: 10.1021/jacs.5b00931. Epub 2015 Apr 8.

PMID:
25822073
31.

Electron transfer rate modulation in a compact Re(I) donor-acceptor complex.

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV.

Dalton Trans. 2015 May 14;44(18):8609-16. doi: 10.1039/c4dt02145b. Erratum in: Dalton Trans. 2016 Jan 14;45(2):842.

PMID:
25600849
32.

Strategy to discover diverse optimal molecules in the small molecule universe.

Rupakheti C, Virshup A, Yang W, Beratan DN.

J Chem Inf Model. 2015 Mar 23;55(3):529-37. doi: 10.1021/ci500749q. Epub 2015 Feb 19.

33.

Two-Electron Transfer Pathways.

Lin J, Balamurugan D, Zhang P, Skourtis SS, Beratan DN.

J Phys Chem B. 2015 Jun 18;119(24):7589-97. doi: 10.1021/jp511429z. Epub 2015 Feb 4.

PMID:
25583181
34.

Charge transfer in dynamical biosystems, or the treachery of (static) images.

Beratan DN, Liu C, Migliore A, Polizzi NF, Skourtis SS, Zhang P, Zhang Y.

Acc Chem Res. 2015 Feb 17;48(2):474-81. doi: 10.1021/ar500271d. Epub 2014 Oct 13. Review.

35.

Breaking the simple proportionality between molecular conductances and charge transfer rates.

Venkatramani R, Wierzbinski E, Waldeck DH, Beratan DN.

Faraday Discuss. 2014;174:57-78. doi: 10.1039/c4fd00106k. Epub 2014 Oct 3.

PMID:
25277465
36.

Biological charge transfer via flickering resonance.

Zhang Y, Liu C, Balaeff A, Skourtis SS, Beratan DN.

Proc Natl Acad Sci U S A. 2014 Jul 15;111(28):10049-54. doi: 10.1073/pnas.1316519111. Epub 2014 Jun 25.

37.

Full-electron ligand-to-ligand charge transfer in a compact Re(I) complex.

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Schmehl RH, Beratan DN, Rubtsov IV.

J Phys Chem A. 2014 Nov 13;118(45):10407-15. doi: 10.1021/jp5039877. Epub 2014 Jul 2. Erratum in: J Phys Chem A. 2016 Jan 28;120(3):473.

PMID:
24956928
38.

Biochemistry and theory of proton-coupled electron transfer.

Migliore A, Polizzi NF, Therien MJ, Beratan DN.

Chem Rev. 2014 Apr 9;114(7):3381-465. doi: 10.1021/cr4006654. Epub 2014 Apr 1. Review. No abstract available.

39.

Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy.

Yue Y, Grusenmeyer T, Ma Z, Zhang P, Pham TT, Mague JT, Donahue JP, Schmehl RH, Beratan DN, Rubtsov IV.

J Phys Chem B. 2013 Dec 12;117(49):15903-16. doi: 10.1021/jp409628e. Epub 2013 Oct 31. Erratum in: J Phys Chem B. 2016 Jan 28;120(3):596.

PMID:
24117405
40.

Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies.

Jiang N, Kuznetsov A, Nocek JM, Hoffman BM, Crane BR, Hu X, Beratan DN.

J Phys Chem B. 2013 Aug 8;117(31):9129-41. doi: 10.1021/jp401551t. Epub 2013 Jul 29.

41.

The single-molecule conductance and electrochemical electron-transfer rate are related by a power law.

Wierzbinski E, Venkatramani R, Davis KL, Bezer S, Kong J, Xing Y, Borguet E, Achim C, Beratan DN, Waldeck DH.

ACS Nano. 2013 Jun 25;7(6):5391-401. doi: 10.1021/nn401321k. Epub 2013 May 30.

PMID:
23692478
42.

Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds.

Virshup AM, Contreras-García J, Wipf P, Yang W, Beratan DN.

J Am Chem Soc. 2013 May 15;135(19):7296-303. doi: 10.1021/ja401184g. Epub 2013 May 2.

43.

Enthalpic signature of methonium desolvation revealed in a synthetic host-guest system based on cucurbit[7]uril.

Wang Y, King JR, Wu P, Pelzman DL, Beratan DN, Toone EJ.

J Am Chem Soc. 2013 Apr 24;135(16):6084-91. doi: 10.1021/ja311327v. Epub 2013 Apr 10. Erratum in: J Am Chem Soc. 2013 Nov 20;135(46):17650.

PMID:
23510488
44.

Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives.

De Vleeschouwer F, Yang W, Beratan DN, Geerlings P, De Proft F.

Phys Chem Chem Phys. 2012 Dec 14;14(46):16002-13. doi: 10.1039/c2cp42623d.

PMID:
23089917
45.

Redox redux.

Beratan DN, Onuchic JN.

Phys Chem Chem Phys. 2012 Oct 28;14(40):13728. Epub 2012 Sep 10. No abstract available.

PMID:
22960628
46.

Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex.

Keinan S, Nocek JM, Hoffman BM, Beratan DN.

Phys Chem Chem Phys. 2012 Oct 28;14(40):13881-9. Epub 2012 Sep 7.

47.

Effect of backbone flexibility on charge transfer rates in peptide nucleic acid duplexes.

Wierzbinski E, de Leon A, Yin X, Balaeff A, Davis KL, Rapireddy S, Venkatramani R, Keinan S, Ly DH, Madrid M, Beratan DN, Achim C, Waldeck DH.

J Am Chem Soc. 2012 Jun 6;134(22):9335-42. doi: 10.1021/ja301677z. Epub 2012 May 21. Erratum in: J Am Chem Soc. 2012 Aug 8;134(31):13141. Reppireddy, Srinivas [corrected to Rapireddy, Srinivas].

PMID:
22548314
48.

Physical constraints on charge transport through bacterial nanowires.

Polizzi NF, Skourtis SS, Beratan DN.

Faraday Discuss. 2012;155:43-62; discussion 103-14.

49.

Exploring biological electron transfer pathway dynamics with the Pathways plugin for VMD.

Balabin IA, Hu X, Beratan DN.

J Comput Chem. 2012 Mar 30;33(8):906-10. doi: 10.1002/jcc.22927. Epub 2012 Feb 1.

50.

B-DNA to zip-DNA: simulating a DNA transition to a novel structure with enhanced charge-transport characteristics.

Balaeff A, Craig SL, Beratan DN.

J Phys Chem A. 2011 Sep 1;115(34):9377-91. doi: 10.1021/jp110871g. Epub 2011 May 20.

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