"Reactive stepping"

A concept is presented to extend molecular dynamics simulations by the so-called reactive steps, during which transitions from reactant to product molecules are performed with physically correct transition probabilities. This goes along with an instant exchange of the employed force field. We provide a detailed mathematical derivation for how the acceptance probability for such reactive steps can be computed from molecular reaction rates and introduce a simulation program that performs such reactive step molecular dynamics simulations...

Characterizing reactive stepping is important to describe the response's effectiveness. Timing of reactive step initiation, execution, and termination have been frequently reported to characterize reactive balance control. However, the test-retest reliabilities of these measures are unknown. Accordingly, the purpose of this study was to determine the between- and within-session test-retest reliabilities of various force plate-derived measures of reactive stepping. Nineteen young, healthy adults responded to 6 small (~8-10% of body weight) and 6 large perturbations (~13-15% of body weight) using an anterior lean-and-release system...

BACKGROUND: Assessing postural stability in Parkinson's disease (PD) often relies on measuring the stepping response to an imposed postural perturbation. The standard clinical technique relies on a brisk backwards pull at the shoulders by the examiner and judgement by a trained rater. In research settings, various quantitative measures and perturbation directions have been tested, but it is unclear which metrics and perturbation direction differ most between people with PD and controls...

OBJECTIVE: To systematically examine stepping performance as a risk factor for falls. More specifically, we examined (i) if step tests can distinguish fallers from non-fallers and (ii) the type of step test (e.g. volitional vs reactive stepping) that is required to distinguish fallers from non-fallers. DATA SOURCE: PubMed, EMBASE, CINAHL, Cochrane Database of Systematic Reviews and reference lists of included articles. STUDY SELECTION: Cross-sectional and cohort studies that assessed the association between at least one step test and falls in older people (age ≥ 60 and/or mean age of 65)...

OBJECTIVE: To evaluate test-retest reliability, agreement, and convergent validity of the Lean-and-Release test for the assessment of reactive stepping among individuals with incomplete spinal cord injury or disease (iSCI/D). DESIGN: Multi-center cross-sectional multiple test design. SETTING: SCI/D rehabilitation hospital and biomechanics laboratory. PARTICIPANTS: Individuals with motor incomplete SCI/D (iSCI/D). INTERVENTIONS: None...

We studied the effect of spectator ions in the prototype of far-from-equilibrium self-organized chemical systems, the Belousov-Zhabotinsky (BZ) reaction. In particular, we investigated the specific ion effect of alkali metal cations, connoted for their kosmotropic and chaotropic properties. By means of combined experimental and numerical approaches, we could show a neat and robust evidence for the Hofmeister effect in this system. Spectator cations induce a marked increment of the induction period that preludes regular oscillations and decrease the oscillation amplitude following the sequence Li+ < Na+ ≪ K+ ∼ Cs+ ...

The goal of this study was to determine whether the cortical responses elicited by whole-body balance perturbations were similar to established cortical markers of action monitoring. Postural changes imposed by balance perturbations elicit a robust negative potential (N1) and a brisk increase of theta activity in the electroencephalogram recorded over midfrontal scalp areas. Because action monitoring is a cognitive function proposed to detect errors and initiate corrective adjustments, we hypothesized that the possible cortical markers of action monitoring during balance control (N1 potential and theta rhythm) scale with perturbation intensity and the eventual execution of reactive stepping responses (as opposed to feet-in-place responses)...

BACKGROUND: People with PD who exhibit freezing of gait (FOG) also exhibit poor balance compared to those who do not freeze. However, balance is a broad construct that can be subdivided into subdomains that include dynamic balance (gait), anticipatory postural adjustments (APAs) & gait initiation, postural sway in stance, and automatic postural responses (e.g., reactive stepping). Few studies have provided a robust investigation on how each of these domains is impacted by FOG, and no studies have compared balance across groups while rigorously controlling for disease severity...

BACKGROUND: The high prevalence of falls due to trips and slips following stroke may signify difficulty adjusting foot-placement in response to the environment. However, little is known about under what circumstances foot-placement adjustment becomes difficult for stroke survivors (SS), making the design of targeted rehabilitation interventions to improve independent community mobility difficult. RESEARCH QUESTION: To investigate the effect of planned and reactive target-stepping on foot-placement accuracy in stroke survivors and young and older healthy adults? METHODS: Young (N = 11, 30 ± 6 years) and older (N = 10, 64 ± 8 years) healthy adults and SS (N = 11, 67 ± 9 years) walked, at preferred pace, on a force instrumented treadmill...

The enzyme-catalyzed degradation of the biogenic amine serotonin is an essential regulatory mechanism of its level in the human organism. In particular, monoamine oxidase A (MAO A) is an important flavoenzyme involved in the metabolism of monoamine neurotransmitters. Despite extensive research efforts, neither the catalytic nor the inhibition mechanisms of MAO enzymes are currently fully understood. In this article we present the QM/MM simulation of the rate-limiting step for the serotonin decomposition, which consists of hydride transfer from the serotonin methylene group to the N5 atom of the flavin moiety...

BACKGROUND: Maintaining balance in response to perturbations during walking often requires the use of corrective responses to keep the center of mass within the base of support. The relationship between the center of mass and base of support is often quantified using the margin of stability. Although people post-stroke increase the margin of stability following perturbations, control deficits may lead to asymmetries in regulation of margins of stability, which may also cause maladaptive coupling between the sagittal and frontal planes during balance-correcting responses...

BACKGROUND: Step-recovery responses are critical in preventing falls when balance is lost unexpectedly. We investigated the kinematics and strategies of balance recovery in older adults with a varying history of falls. METHODS: In a laboratory study, 51 non-fallers (NFs), 20 one-time fallers (OFs), and 12 recurrent-fallers (RFs) were exposed to random right/left unannounced underfoot perturbations in standing of increasing magnitude. The stepping strategies and kinematics across an increasing magnitude of perturbations and the single- and multiple-step threshold trials, i...

BACKGROUND: People use various strategies to maintain balance, such as taking a reactive step or rotating the upper body. To gain insight in human balance control, it is useful to know what makes people switch from one strategy to another. In previous studies the transition from a non-stepping balance response to reactive stepping was often described by an (extended) inverted pendulum model using a limited number of features. The goal of this study is to predict whether people will take a reactive step to recover from a push and to investigate what features are most relevant for that prediction by using a data-driven approach...

A combination of in silico methods was used to extend the experimental description of the reductive nitrosylation mechanism in ferric hemeproteins with the molecular details of the role of surrounding amino acids. The computational strategy consisted in the estimation of potential energy profiles for the transition process associated with the interactions of the coordinated N(NO) moiety with O(H2 O) or O(OH- ) as nucleophiles, and with distal amino acids as proton acceptors or affecting the stability of transition states...

BACKGROUND: Chronic stroke survivors demonstrate the potential to acquire reactive adaptations to external perturbations. However, such adaptations in postural stability and compensatory stepping responses are perturbation-type specific and the ability to generalize such adaptation to an opposing perturbation has not been studied. OBJECTIVE: The study aimed to examine whether improved reactive balance control acquired through prior slip-perturbation training would positively transfer to, or interfere with, the reactive response to an unexpected novel trip...

This study evaluated the reactive biomechanical strategies associated with both upper- and lower-body (lead and trail limbs) following the first exposures to (un)expected stepdown at comfortable (1.22 ± 0.08 m/s) and fast (1.71 ± 0.11 m/s) walking velocities. Eleven healthy adults completed 34 trails per walking velocity over an 8-m, custom-built track with two forceplates embedded in its center. For the expected stepdown, the track was lowered by 0-, -10- and -20-cm from the site of the second forceplate, whereas the unexpected stepdown was created by camouflaging the second forceplate (-10-cm)...

We investigated methanol oxidation, decomposition and carbonylation reactions on a high indexed Pt(321) surface. Adsorption studies of the reactants and reaction products were analyzed, where the favourable binding was found on the low coordinated atoms which are located on the step edges of this surface. The dependence of the reaction mechanism on the surface structure could be observed by analysis of methanol decomposition via O-H and C-H bond cleavage, where the latter showed a significant preference in energy...

STUDY DESIGN: Cross sectional. OBJECTIVES: To compare the reactive stepping ability of individuals living with incomplete spinal cord injury or disease (SCI/D) to that of sex- and age-matched able-bodied adults. SETTING: A tertiary SCI/D rehabilitation center in Canada. METHODS: Thirty-three individuals (20 with incomplete SCI/D) participated. Participants assumed a forward lean position in standing whilst 8-12% of their body weight was supported by a horizontal cable at waist height affixed to a rigid structure...

Introduction: Asymmetrical sensorimotor function after stroke creates unique challenges for bipedal tasks such as walking or perturbation-induced reactive stepping. Preference for initiating steps with the less-involved (preferred) leg after a perturbation has been reported with limited information on the stepping response of the more-involved (non-preferred) leg. Understanding the capacity of both legs to respond to a perturbation would enhance the design of future treatment approaches. This pilot study investigated the difference in perturbation-induced stepping between legs in stroke participant and non-impaired controls...

The main purpose of this manuscript is to report the new usage of tea waste (TW) as a catalyst for efficient conversion of palm fatty acid distillate (PFAD) to biodiesel. In this work, we investigate the potential of tea waste char as a catalyst for biodiesel production before and after sulfonation. The activated sulfonated tea waste char catalyst was characterized using Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffractometry (XRD), elemental composition (CHNS), nitrogen adsorption-desorption using Brunauer-Emmett-Teller (BET) and ammonia-temperature-programmed desorption (NH3 -TPD)...