Search results for " Force"
showing 10 items of 2250 documents
Inelastic Neutron Scattering Experiments on Van der Waals Glasses - A Test of Recent Microscopic Theories of the Glass Transition
1989
Etude realisee sur un verre d'o-terphenyle afin de montrer l'existence d'une relaxation secondaire presentant des caracteristiques inhabituelles et le comportement Kohbrausch de la fonction de correlation de densite decrivant la relaxation structurale
17O NMR study of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes
1991
The 17O NMR chemical shifts of isomeric monochloro- and monohydroxy-benzaldehydes and chlorinated salicylaldehydes were measured at 40°C for 0.25 M CDCI3 solutions. The 17O NMR chemical shift of the carbonyl oxygen of the compounds studied varies from 506 to 573 ppm measured from external D2O. The observed variation is probably mainly due to the intramolecular hydrogen bonding between the adjacent carbonyl and hydroxyl groups. The 17O NMR chemical shift range of the hydroxyl oxygen is from 80 to 98 ppm.
Invasive Observation by Atomic Force Microscope of a Langmuir-Blodgett Monolayer of Gramicidin
2002
The properties of gramicidin, a linear antibiotic polypeptide of 15 amino acids, have been studied at the air-water interface. Analysis of the pressure-area isotherm is not able to conclude about the conformational behavior of gramicidin in the monolayer. Langmuir-Blodgett deposition of gramicidin layers onto a mica substrate has been developed for atomic force microscopy (AFM) observations. At high pressure of deposition, the gramicidin monolayer is composed of dimers perpendicular to the surface. The possibility of removing the half upper part of this dimer monolayer with the AFM tip is more in favor of a structure of single-stranded helical dimers.
Confinement inside a Crystalline Sponge Induces Pyrrole To Form N−H⋅⋅⋅π Bonded Tetramers
2021
Based on the DFT‐level calculated molecular volume (V mol ) of pyrrole and its liquid density, pyrrole manifests the highest liquid density coefficient LD c (defined as [V mol • density • 0.6023]/FW) value of 0.7. Normal liquids have LD c < 0.63. This very high LD c is due to the strong N‐H … π interactions in solution and hence pyrrole can be considered to be a pseudo‐crystalline liquid. When trapped inside the confined space of the crystalline sponge a reorientation of the N‐H … π interaction is observed leading to specific cyclic N‐H … π tetramers and N‐H … π dimers, verified by single crystal X‐ray crystallographic and computational methods. These tetramers are of the same size as four …
Running in highly cushioned shoes increases leg stiffness and amplifies impact loading
2018
AbstractRunning shoe cushioning has become a standard method for managing impact loading and consequent injuries due to running. However, despite decades of shoe technology developments and the fact that shoes have become increasingly cushioned, aimed to ease the impact on runners’ legs, running injuries have not decreased. To better understand the shoe cushioning paradox, we examined impact loading and the spring-like mechanics of running in a conventional control running shoe and a highly cushioned maximalist shoe at two training speeds, 10 and 14.5 km/h. We found that highly cushioned maximalist shoes alter spring-like running mechanics and amplify rather than attenuate impact loading. T…
The weight function for charges - A rigorous theoretical concept for Kelvin probe force microscopy
2016
A comprehensive discussion of the physical origins of Kelvin probe force microscopy (KPFM) signals for charged systems is given. We extend the existing descriptions by including the openloop operation mode, which is relevant when performing KPFM in electrolyte solutions. We define the contribution of charges to the KPFM signal by a weight function, which depends on the electric potential and on the capacitance of the tip-sample system. We analyze the sign as well as the lateral decay of this weight function for different sample types, namely, conductive samples as well as dielectric samples with permittivities both larger and smaller than the permittivity of the surrounding medium. Dependin…
On the relations between aromaticity and substituent effect
2019
Aromaticity/aromatic and substituent/substituent effects belong to the most commonly used terms in organic chemistry and related fields. The quantitative description of aromaticity is based on energetic, geometric (e.g., HOMA), magnetic (e.g., NICS) and reactivity criteria, as well as the properties of the electronic structure (e.g., FLU). The substituent effect can be described using either traditional Hammett-type substituent constants or characteristics based on quantum-chemistry. For this purpose, the energies of properly designed homodesmotic reactions and electron density distribution are used. In the first case, a descriptor named SESE (energy stabilizing the substituent effect) is o…
A tailor-made nucleoside-based colourimetric probe of formic acid
2014
A ratiometric, specific probe of formic acid has been developed. It is based on intermolecular nucleobase-pairing of inosine-capped plasmonic nanoparticles to form nucleoside channels, which are destabilised by the analyte.
Probing the Folding of Peptide–Polymer Conjugates Using the π-Dimerization of Viologen End-Groups
2020
The synthesis of a foldable viologen-functionalized peptide–polymer conjugate is presented. The ABA-type triblock conjugate with a PEG polymer was capped with a FHFHF pentapeptide sequence and further modified with a viologen building block at both chain ends. The pH-responsive peptide domains fold into an intermediate structure inducing close proximity of the viologen units, which upon a reduction step form π-dimers of the radical cation. Overall the intramolecular folding and intermolecular self-assembly process leads to the formation of supramolecular nanorods. Mixing of viologen-peptide–polymer conjugates with unfunctionalized conjugates leads to crosslinking of the nanorods and hydroge…
Highly Diastereoselective Arylation of (S)-Mandelic Acid Enolate: Enantioselective Synthesis of Substituted (R)-3-Hydroxy-3-phenyloxindoles and (R)-B…
2005
An easy access to substituted (R)-3-hydroxy-3-phenyloxindoles, (R)-benzylic acids, and benzophenones is described. The reaction of the lithium enolate of the (2S,5S)-cis-1,3-dioxolan-4-one derived from optically active (S)-mandelic acid and pivalaldehyde with several o- and p-halonitrobenzenes proceeds readily to give the corresponding arylation products in good yields and diastereoselectivities. The reduction of the nitro group with Zn/HCl/EtOH in the o-nitro arylation products with concomitant intramolecular aminolysis of the dioxolanone moiety leads directly to enantiomerically pure (R)-3-hydroxy-3-phenyloxindoles. On the other hand the basic hydrolysis of the dioxolanone moiety in all t…