Orthogonal Initiation of Molecular Motion Devices by Two Chemical Fuels DOI
Debabrata Mondal, Sohom Kundu, Emad Elramadi

et al.

Journal of the American Chemical Society, Journal Year: 2023, Volume and Issue: 145(49), P. 26520 - 26524

Published: Nov. 29, 2023

Herein, we demonstrate the selective dissipative and orthogonal actuation of two distinct molecular devices controlled by alternate fuel use. When multicomponent ensemble [2]rotaxane 1 turnstile [Cu(2)(3)]+ was charged with AgBF4 as chemical (Fuel 1) together NEt3/PhCH2Br (cofuels), transiently formed [Ag(1)]+ showed a stochastic shuttling silver macrocycle between degenerate triazole stations on thread (k298 = 1.2 × 105 s–1), whereas unperturbed. Instead, treatment mixture PPh3 an alternative 2) in presence oxidant 4 (cofuel) generated complex [Cu(3)(PPh3)2]+ transient thermal motion rotor 2 4.9 104 rotaxane stayed dormant. Thus, fuels selectively orthogonally activated from mixture. In total, four interference-free cycles were demonstrated using alternating additions.

Language: Английский

Molecular engineering of confined space in metal–organic cages DOI Creative Commons
James E. M. Lewis

Chemical Communications, Journal Year: 2022, Volume and Issue: 58(100), P. 13873 - 13886

Published: Jan. 1, 2022

The host–guest chemistry of metal–organic cages can be modified through tailoring structural aspects such as size, shape and functionality. In this review, strategies, opportunities challenges molecular engineering are discussed.

Language: Английский

Citations

59
Metal-peptidic cages—Helical oligoprolines generate highly anisotropic nanospaces with emergent isomer control DOI Creative Commons

Ben E. Barber,

Ellen M. G. Jamieson,

Leah White

et al.

Chem, Journal Year: 2024, Volume and Issue: 10(9), P. 2792 - 2806

Published: May 29, 2024

The self-assembly of metal-organic cages enables the rapid creation atomically defined, three-dimensional, nanoscale architectures reminiscent proteins. However, existing are almost exclusively built from rigid and flat aromatic panels, limiting binding selectivity and, often, water solubility. Herein, we disclose a new class cages—metal-peptidic cages—which utilize water-soluble, chiral, helical oligoproline strands varying lengths to generate highly anisotropic nanospaces. Further, find that formation cis isomer cage is strongly favored an emergent property using complex chiral building blocks in defined We demonstrate use peptidic allows us rapidly tune size nanospace formed, c. 1 4 nm, biologically relevant components targeted therapeutic molecules, highlighting potential these systems for selective drug delivery.

Language: Английский

Citations

13
CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages DOI Creative Commons
Vicente Martí‐Centelles, Tomasz K. Piskorz, Fernanda Duarte

et al.

Journal of Chemical Information and Modeling, Journal Year: 2024, Volume and Issue: 64(14), P. 5604 - 5616

Published: July 9, 2024

Organic(porous) and metal–organic cages are promising biomimetic platforms with diverse applications spanning recognition, sensing, catalysis. The key to the emergence of these functions is presence well-defined inner cavities capable binding a wide range guest molecules modulating their properties. However, despite myriad cage architectures currently available, rational design structurally functional specific host–guest properties remains challenging. Efficiently predicting such critical for accelerating discovery novel cages. Herein, we introduce CageCavityCalc (C3), Python-based tool calculating cavity size molecular code available on GitHub at https://github.com/VicenteMartiCentelles/CageCavityCalc. C3 utilizes algorithm that enables rapid calculation sizes structures porous systems. Moreover, facilitates easy visualization computed alongside hydrophobic electrostatic potentials, providing insights into interactions within cage. Furthermore, calculated can be visualized using widely software, as PyMol, VMD, or ChimeraX. To enhance user accessibility, PyMol plugin has been created, allowing nonspecialists use this without requiring computer programming expertise. We anticipate deployment computational will significantly streamline calculations, thereby

Language: Английский

Citations

10
Diastereoselective Self‐Assembly of Low‐Symmetry PdnL2n Nanocages through Coordination‐Sphere Engineering** DOI Creative Commons
Paulina Molinska, Andrew Tarzia, Louise Male

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(51)

Published: Oct. 27, 2023

Metal-organic cages (MOCs) are popular host architectures assembled from ligands and metal ions/nodes. Assembling structurally complex, low-symmetry MOCs with anisotropic cavities can be limited by the formation of statistical isomer libraries. We set out to investigate use primary coordination-sphere engineering (CSE) bias selectivity within homo- heteroleptic Pd

Language: Английский

Citations

21
Reactions in Endohedral Functionalized Cages DOI Creative Commons
Matthias Otte

European Journal of Organic Chemistry, Journal Year: 2023, Volume and Issue: 26(18)

Published: March 3, 2023

Abstract The introduction of enhanced functionalization is a key aspect in the current design cage chemistry. At moment, several approaches are intensively investigated. synthesis compounds that display endohedral plays role among them. Here, studies reactions occur endohedral‐functionalized reviewed. After an trends cage‐chemistry discussion endohedral‐cage divided into three sections. These are: 1) Endohedral groups by themselves functional, 2) can bind to transition‐metal complex and 3) metal. article closes with outlook on additional developments field cage‐compounds, which may contribute future towards reactivity compounds.

Language: Английский

Citations

15
Modular enhancement of circularly polarized luminescence in Pd2A2B2 heteroleptic cages DOI Creative Commons
Jacopo Tessarolo, Élie Benchimol, Abdelaziz Jouaiti

et al.

Chemical Communications, Journal Year: 2023, Volume and Issue: 59(23), P. 3467 - 3470

Published: Jan. 1, 2023

Two one-step-synthesized ligands, one chiral and emissive, assemble with Pd II into a heteroleptic cage that shows enhanced CPL.

Language: Английский

Citations

13
The cutting edge of lantern-shaped cage methodologies DOI

Zack T. Avery,

Jess L. Algar, Dan Preston

et al.

Trends in Chemistry, Journal Year: 2024, Volume and Issue: 6(7), P. 352 - 364

Published: April 9, 2024

Language: Английский

Citations

5
Structural Transformations of Metal–Organic Cages through Tetrazine-Alkene Reactivity DOI Creative Commons
Martin Black, S. Bhattacharyya, Stephen P. Argent

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 5, 2024

The assembly of metal-organic cages is governed by metal ion coordination preferences and the geometries typically rigid planar precursor ligands. Pd

Language: Английский

Citations

5
Diastereomer Resolution of M4L6 Coordination Cages by Ultra‐High‐Resolution Ion‐Mobility Mass Spectrometry DOI Creative Commons
Michael C. Pfrunder, David L. Marshall, Berwyck L. J. Poad

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(27)

Published: April 26, 2023

Coordination cages can be used for enantio- and regioselective catalysis the selective sensing separation of isomeric guest molecules. Here, stereoisomers a family coordination are resolved using ultra-high-resolution cyclic ion-mobility mass spectrometry (cIM-MS). The observed ratio diastereomers is dependent on both metal ion counter ion. Moreover, point groups assigned through complementary NMR experiments. This method enables identification interrogation individual isomers in complex mixtures which cannot performed solution. Furthermore, these techniques allow stability within mixture to probed, with T-symmetric this case shown more robust than C3 S4 analogues.

Language: Английский

Citations

10
Uncovering tetrazoles as building blocks for constructing discrete and polymeric assemblies DOI
S.N. Dey,

M.L. Aggarwal,

Debsena Chakraborty

et al.

Chemical Communications, Journal Year: 2024, Volume and Issue: 60(43), P. 5573 - 5585

Published: Jan. 1, 2024

Metal-organic self-assembly with flexible moieties is a budding field of research due to the possibility formation unique architectures. Tetrazole, characterised by four nitrogen atoms in five-member ring, exhibits immense potential as component. Tetrazole offers coordination sites for binding metal centre nine distinct modes, leading various assemblies. This review highlights different polymeric and discrete tetrazole-based assemblies their functions. The meticulous manipulation stoichiometry, ligands, ions required constructing has also been discussed. applications these architectures separation, catalysis detection have accentuated. latter section consolidates cage composites, highlighting cell imaging photocatalytic applications.

Language: Английский

Citations

4