This repeated measures study assessed the changes in speed, acceleration, stroke frequency, and shoulder range of motion (ROM) associated with different wheelchair axle positions in people with chronic cervical (C) 6 tetraplegia. Our main hypothesis is that the up and forward axle position is the most conducive to wheelchair propulsion, increasing speed and acceleration with a lower stroke frequency. In a chronic spinal cord injury (SCI) unit, we measured the speed, acceleration, stroke frequency, and shoulder ROM in four different axle positions in eight subjects with C6 SCI. We analyzed two start-up strokes over a smooth, level vinyl floor in the Motion Analysis Laboratory (Fleni Institute; Escobar, Argentina). We analyzed data for significant statistical differences using the Wilcoxon signed rank test and the Friedman test. Our study showed that the up and forward axle position results in an increase of speed and acceleration, with a higher stroke frequency and a decreased shoulder ROM. In addition, the down and backward axle position results in the lowest speed and acceleration, with a lower stroke frequency and an increased shoulder ROM. The up and forward axle position was the most conducive to stroke compared with other positions we analyzed.
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Angew Chem Int Ed Engl
December 2024
Supramolecular Machines and Architectures Team, IBMM, Université de Montpellier, CNRS, ENSCM, Montpellier, France.
The design of a dynamically assembled foldarotaxane was envisioned with the aim of operating as a two cascading trigger-based molecular shuttle. Under acidic conditions, both the macrocycle and helix were localized around their respective best molecular stations because they are far enough from each other not to alter the stability of complexes. The pH-dependent localization of the macrocycle along the encircled axle allowed us to modulate the association between the helical foldamer and its sites of interaction on the axle.
View Article and Find Full Text PDFChemphyschem
December 2024
Department for Innovation in Biological, Agro-Food and Forest systems, Università della Tuscia (DIBAF), L.go dell'Università, s.n.c., Viterbo, 01100, Italy.
Supramolecular contacts responsible for chemical interaction of cucurbit[7]uril (CB[7]) macrocycle on a Tolyl-Viologen-Phenylene-Imidazole (T-VPI) molecular thread, at acid pH (T-VPI-H) or after Ag cation addition (T-VPI-Ag), are analytically addressed in a computational framework combining Quantum Theory of Atoms in Molecules (QTAIM) with Density Functional Theory (DFT). In this respect, the crystallographic structure (CCDC number 2217466) is taken as reference condition for addressing the nature of the chemical interactions driving the shuttling of the CB[7] between T and P stations recently observed in dilute water solutions. Beside the host(CB[7]) vs guest(T-VPI-H or T-VPI-Ag) complexation, the coordination sphere of the Ag cation is also investigated by means of local electronic energy density - H(r) - descriptors.
View Article and Find Full Text PDFNanotechnology
May 2024
Research Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
A direct focused Hebeam direct machining is presented to fabricate solid-state nano-disk at the surface of a graphene multilayer micro-flake deposited on an Au/Ti/sapphire surface. At irradiation doses larger than 5.0 × 10ions cmand with a beam size well below 1 nm, graphene disks down to 20 nm in diameter have been machined with for nano-disk down to 50 nm in diameter, a central hole for preparing the positioning of a rotation axle.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
April 2024
School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, P. R. China.
The transmission of chiral information between the molecular, meso and microscopic scales is a facet of biology that remains challenging to understand mechanistically and to mimic with artificial systems. Here we demonstrate that the dynamic change in the expression of the chirality of a rotaxane can be transduced into a change in pitch of a soft matter system. Shuttling the position of the macrocycle from far-away-from to close-to a point-chiral center on the rotaxane axle changes the expression of the chiral information that is transmitted across length scales; from nanometer scale constitutional chirality that affects the conformation of the macrocycle, to the centimeter scale chirality of the liquid crystal phase, significantly changing the pitch length of the chiral nematic structure.
View Article and Find Full Text PDFJ Phys Chem A
February 2024
Institute of Electronics, Bulgarian Academy of Sciences, 1784 Sofia, Bulgaria.
Herein, the detailed mechanism of intramolecular proton transfer in molecular switches, constructed from 7-hydroxy quinoline substituted in the eight-position C-C single axle, connected to three different proton cranes (morpholine, piperidine, and 1,3,5-dioxazine), was investigated by means of theoretical chemistry. The theoretical interpretation of the rotational mechanism and its stable structures were proposed for the well-known Varma's proton crane, based on morpholine molecule. The reliability of the theoretical simulations was confirmed by the available literature data from time-dependent IR measurements.
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