Precision Molecular Threading/Dethreading.
kinetics
metadynamics
molecular machine
rotaxane
supramolecular chemistry
Journal
Angewandte Chemie (International ed. in English)
ISSN: 1521-3773
Titre abrégé: Angew Chem Int Ed Engl
Pays: Germany
ID NLM: 0370543
Informations de publication
Date de publication:
24 Aug 2020
24 Aug 2020
Historique:
received:
28
02
2020
pubmed:
13
5
2020
medline:
13
5
2020
entrez:
13
5
2020
Statut:
ppublish
Résumé
The general principles guiding the design of molecular machines based on interlocked structures are well known. Nonetheless, the identification of suitable molecular components for a precise tuning of the energetic parameters that determine the mechanical link is still challenging. Indeed, what are the reasons of the "all-or-nothing" effect, which turns a molecular "speed-bump" into a stopper in pseudorotaxane-based architectures? Here we investigate the threading and dethreading processes for a representative class of molecular components, based on symmetric dibenzylammonium axles and dibenzo[24]crown-8 ether, with a joint experimental-computational strategy. From the analysis of quantitative data and an atomistic insight, we derive simple rules correlating the kinetic behaviour with the substitution pattern, and provide rational guidelines for the design of modules to be integrated in molecular switches and motors with sophisticated dynamic features.
Identifiants
pubmed: 32396687
doi: 10.1002/anie.202003064
pmc: PMC7496742
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
14825-14834Subventions
Organisme : H2020 European Research Council
ID : 692981
Organisme : Ministero dell'Istruzione, dell'Università e della Ricerca
ID : R16S9XXKX3
Organisme : Ministero dell'Istruzione, dell'Università e della Ricerca
ID : 20173L7W8K
Organisme : Università degli Studi dell'Insubria
ID : FAR2018
Organisme : King Abdullah University of Science and Technology
ID : k1345
Informations de copyright
© 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.
Références
Chem Sci. 2017 May 1;8(5):3444-3452
pubmed: 28507716
Phys Chem Chem Phys. 2008 Nov 28;10(44):6615-20
pubmed: 18989472
Nature. 2007 Feb 1;445(7127):523-7
pubmed: 17268466
Angew Chem Int Ed Engl. 2019 Mar 22;58(13):4108-4110
pubmed: 30785654
J Am Chem Soc. 2019 Nov 13;141(45):18064-18074
pubmed: 31638802
Nat Nanotechnol. 2015 Jun;10(6):547-53
pubmed: 25984834
Angew Chem Int Ed Engl. 2019 Jul 15;58(29):9876-9880
pubmed: 31111628
Nat Nanotechnol. 2015 Jan;10(1):70-5
pubmed: 25420035
J Am Chem Soc. 2014 Oct 22;136(42):14702-5
pubmed: 25254970
J Am Chem Soc. 2019 Jun 12;141(23):9129-9133
pubmed: 31129959
Chemphyschem. 2018 Jun 5;19(11):1249-1297
pubmed: 29573368
Science. 2004 Mar 19;303(5665):1845-9
pubmed: 15031499
Chem Rev. 2015 Sep 23;115(18):10081-206
pubmed: 26346838
Chemistry. 2016 Jun 20;22(26):8835-47
pubmed: 27239975
Org Lett. 2008 Sep 4;10(17):3741-4
pubmed: 18666774
Angew Chem Int Ed Engl. 2011 May 16;50(21):4872-5
pubmed: 21538736
J Am Chem Soc. 2013 Jul 3;135(26):9924-30
pubmed: 23751139
J Am Chem Soc. 2019 Oct 9;141(40):15879-15883
pubmed: 31490067
Chemistry. 2015 Jan 2;21(1):360-70
pubmed: 25345395
Chemistry. 2003 Nov 7;9(21):5348-60
pubmed: 14613145
Proc Natl Acad Sci U S A. 2006 Dec 5;103(49):18411-6
pubmed: 17116865
Chem Commun (Camb). 2016 Jul 21;52(61):9526-9
pubmed: 27383292
J Am Chem Soc. 2010 Feb 24;132(7):2309-20
pubmed: 20121186
Science. 2017 Oct 20;358(6361):340-343
pubmed: 29051374
Chemistry. 2013 Jan 21;19(4):1502-10
pubmed: 23203944
Chemistry. 2012 Dec 7;18(50):16203-13
pubmed: 23090856
J Am Chem Soc. 2018 May 16;140(19):6049-6052
pubmed: 29717609
Chem Soc Rev. 2010 Jan;39(1):70-80
pubmed: 20023838
Langmuir. 2016 Jun 28;32(25):6367-75
pubmed: 27232769
J Am Chem Soc. 2018 Dec 26;140(51):17992-17998
pubmed: 30445811
Angew Chem Int Ed Engl. 2010 Mar 8;49(11):1944-8
pubmed: 20146297
Chem Soc Rev. 2012 Mar 7;41(5):1621-36
pubmed: 22012256
J Comput Chem. 2006 Nov 30;27(15):1787-99
pubmed: 16955487
Chemistry. 2003 Oct 6;9(19):4611-25
pubmed: 14566866
Angew Chem Int Ed Engl. 2012 Jul 9;51(28):7011-5
pubmed: 22653895
Chem Commun (Camb). 2012 Jul 7;48(53):6693-5
pubmed: 22635275
J Am Chem Soc. 2012 Jan 25;134(3):1860-8
pubmed: 22192048
Angew Chem Int Ed Engl. 2018 Jul 20;57(30):9325-9329
pubmed: 29774639
Adv Mater. 2012 Jun 26;24(24):3191-5
pubmed: 22605411
Angew Chem Int Ed Engl. 2014 Jul 1;53(27):6914-9
pubmed: 24910397
Chemistry. 2018 Jan 24;24(5):1198-1203
pubmed: 29125653
Angew Chem Int Ed Engl. 2016 Feb 18;55(8):2778-81
pubmed: 26806916
Science. 2004 Nov 26;306(5701):1532-7
pubmed: 15567858
Phys Rev Lett. 2003 Jun 13;90(23):238302
pubmed: 12857293
Angew Chem Int Ed Engl. 2018 Aug 13;57(33):10484-10488
pubmed: 29708636
Chemistry. 2011 May 23;17(22):6076-87
pubmed: 21500290
J Am Chem Soc. 2017 May 24;139(20):6791-6794
pubmed: 28388036
Chemistry. 2010 Oct 11;16(38):11580-7
pubmed: 20842670
J Am Chem Soc. 2017 Jul 12;139(27):9350-9358
pubmed: 28609621
Angew Chem Int Ed Engl. 2008;47(19):3536-9
pubmed: 18357607
Phys Chem Chem Phys. 2007 Oct 7;9(37):5067-83
pubmed: 17878982
Phys Rev Lett. 1985 Nov 25;55(22):2471-2474
pubmed: 10032153
Adv Mater. 2020 May;32(20):e1906064
pubmed: 31957172
Angew Chem Int Ed Engl. 2012 May 21;51(21):5166-9
pubmed: 22504844
Proc Natl Acad Sci U S A. 2002 Oct 1;99(20):12562-6
pubmed: 12271136
Chemistry. 2009;15(13):3230-42
pubmed: 19206116
Chemistry. 2011 Feb 25;17(9):2724-33
pubmed: 21264965
Chem Asian J. 2018 Apr 4;13(7):785-789
pubmed: 29392843
Chem Commun (Camb). 2014 Dec 18;50(97):15341-4
pubmed: 25347998
Angew Chem Int Ed Engl. 2015 Sep 14;54(38):11112-6
pubmed: 26255642
Chem Soc Rev. 2017 May 9;46(9):2404-2420
pubmed: 28443937
Chem Commun (Camb). 2016 Sep 28;52(75):11195-8
pubmed: 27484884
Org Lett. 2012 May 4;14(9):2226-9
pubmed: 22519824
J Am Chem Soc. 2014 Mar 26;136(12):4460-3
pubmed: 24621148
Chemistry. 2011 Mar 7;17(11):3192-206
pubmed: 21308807
Chemistry. 2003 Jun 16;9(12):2895-2903
pubmed: 12868421
Proc Natl Acad Sci U S A. 2018 Sep 18;115(38):9385-9390
pubmed: 29255033
Phys Rev Lett. 1996 Oct 28;77(18):3865-3868
pubmed: 10062328
Angew Chem Int Ed Engl. 2017 Feb 13;56(8):2105-2109
pubmed: 28067444
Angew Chem Int Ed Engl. 2012 Apr 23;51(17):4223-6
pubmed: 22407954
Angew Chem Int Ed Engl. 2020 Aug 24;59(35):14825-14834
pubmed: 32396687
Angew Chem Int Ed Engl. 2008;47(39):7470-4
pubmed: 18729105
Angew Chem Int Ed Engl. 2019 Sep 2;58(36):12431-12434
pubmed: 31310450
Chemistry. 2007;13(25):7091-8
pubmed: 17563911
Small. 2005 Mar;1(3):278-83
pubmed: 17193444
Chem Rev. 2005 Aug;105(8):2999-3093
pubmed: 16092826
Chem Rev. 2020 Jan 8;120(1):200-268
pubmed: 31415169
J Am Chem Soc. 2014 Nov 5;136(44):15775-80
pubmed: 25285667
Phys Chem Chem Phys. 2013 Jan 7;15(1):159-67
pubmed: 23147475
Chem Soc Rev. 2017 May 9;46(9):2459-2478
pubmed: 28462968
J Am Chem Soc. 2017 Jul 12;139(27):9376-9381
pubmed: 28627882
Chem Commun (Camb). 2017 Oct 3;53(79):10874-10877
pubmed: 28926040
Chemphyschem. 2016 Jun 17;17(12):1913-9
pubmed: 26918775