Structural and dynamical equilibrium properties of hard board-like particles in parallel confinement.

We performed Monte Carlo and dynamic Monte Carlo simulations to model the diffusion of monodispersed suspensions composed of impenetrable cuboidal particles, specifically hard board-like particles (HBPs), in the presence of parallel hard walls. The impact of the walls was investigated by adjusting the size of the simulation box while maintaining constant packing fractions, fixed at η = 0.150, for systems consisting of HBPs with prolate, dual-shaped, and oblate geometries. We observed that increasing the distance between the walls led to the recovery of an isotropic bulk phase, while local particle organization near the walls remained stable. Due to their shape, oblate HBPs exhibit more efficient anchoring at wall surfaces compared to prolate shapes. The formation of nematic-like particle assemblies near the walls, confirmed by theoretical calculations based on density functional theory, significantly influenced local particle dynamics. This effect was particularly pronounced to the extent that a modest portion of cuboids near the walls tended to diffuse exclusively in planes parallel to the confinement, even more efficiently than observed in the bulk regions.

Insight into the Viscoelasticity of Self-Assembling Smectic Liquid Crystals of Colloidal Rods from Active Microrheology Simulations.

The rheology of colloidal suspensions is of utmost importance in a wide variety of interdisciplinary applications in formulation technology, determining equally interesting questions in fundamental science. This is especially intriguing when colloids exhibit a degree of long-range positional or orientational ordering, as in liquid crystals (LCs) of elongated particles. Along with standard methods, microrheology (MR) has emerged in recent years as a tool to assess the mechanical properties of materials at the microscopic level. In particular, by active MR one can infer the viscoelastic response of a soft material from the dynamics of a tracer particle being dragged through it by external forces. Although considerable efforts have been made to study the diffusion of guest particles in LCs, little is known about the combined effect of tracer size and directionality of the dragging force on the system's viscoelastic response. By dynamic Monte Carlo simulations, we apply active MR to investigate the viscoelasticity of self-assembling smectic (Sm) LCs consisting of rodlike particles. In particular, we track the motion of a spherical tracer whose size is varied within a range of values matching the system's characteristic length scales and being dragged by constant forces that are parallel, perpendicular, or at 45° to the nematic director. Our results reveal a uniform value of the effective friction coefficient as probed by the tracer at small and large forces, whereas a nonlinear, force-thinning regime is observed at intermediate forces. However, at relatively weak forces the effective friction is strongly determined by correlations between the tracer size and the structure of the host fluid. Moreover, we also show that external forces forming an angle with the nematic director provide additional details that cannot be simply inferred from the mere analysis of parallel and perpendicular forces. Our results highlight the fundamental interplay between tracer size and force direction in assessing the MR of Sm LC fluids.

Application of machine-learning algorithms to predict the transport properties of Mie fluids.

The ability to predict transport properties of fluids, such as the self-diffusion coefficient and viscosity, has been an ongoing effort in the field of molecular modeling. While there are theoretical approaches to predict the transport properties of simple systems, they are typically applied in the dilute gas regime and are not directly applicable to more complex systems. Other attempts to predict transport properties are performed by fitting available experimental or molecular simulation data to empirical or semi-empirical correlations. Recently, there have been attempts to improve the accuracy of these fittings through the use of Machine-Learning (ML) methods. In this work, the application of ML algorithms to represent the transport properties of systems comprising spherical particles interacting via the Mie potential is investigated. To this end, the self-diffusion coefficient and shear viscosity of 54 potentials are obtained at different regions of the fluid-phase diagram. This data set is used together with three ML algorithms, namely, k-Nearest Neighbors (KNN), Artificial Neural Network (ANN), and Symbolic Regression (SR), to find correlations between the parameters of each potential and the transport properties at different densities and temperatures. It is shown that ANN and KNN perform to a similar extent, followed by SR, which exhibits larger deviations. Finally, the application of the three ML models to predict the self-diffusion coefficient of small molecular systems, such as krypton, methane, and carbon dioxide, is demonstrated using molecular parameters derived from the so-called SAFT-VR Mie equation of state [T. Lafitte et al. J. Chem. Phys. 139, 154504 (2013)] and available experimental vapor-liquid coexistence data.

Respiratory gas kinetics in patients with congestive heart failure during recovery from peak exercise.

BACKGROUND: Cardiopulmonary Exercise Testing (CPX) is essential for the assessment of exercise capacity for patients with Chronic Heart Failure (CHF). Respiratory gas and hemodynamic parameters such as Ventilatory Efficiency (VE/VCO2 slope), peak oxygen uptake (peak VO2), and heart rate recovery are established diagnostic and prognostic markers for clinical populations. Previous studies have suggested the clinical value of metrics related to respiratory gas collected during recovery from peak exercise, particularly recovery time to 50% (T1/2) of peak VO2. The current study explores these metrics in detail during recovery from peak exercise in CHF. METHODS: Patients with CHF who were referred for CPX and healthy individuals without formal diagnoses were assessed for inclusion. All subjects performed CPX on cycle ergometers to volitional exhaustion and were monitored for at least five minutes of recovery. CPX data were analyzed for overshoot of respiratory exchange ratio (RER=VCO2/VO2), ventilatory equivalent for oxygen (VE/VO2), end-tidal partial pressure of oxygen (PETO2), and T1/2 of peak VO2 and VCO2. RESULTS: Thirty-two patients with CHF and 30 controls were included. Peak VO2 differed significantly between patients and controls (13.5 ± 3.8 vs. 32.5 ± 9.8 mL/Kg*min-1, p < 0.001). Mean Left Ventricular Ejection Fraction (LVEF) was 35.9 ± 9.8% for patients with CHF compared to 61.1 ± 8.2% in the control group. The T1/2 of VO2, VCO2 and VE was significantly higher in patients (111.3 ± 51.0, 132.0 ± 38.8 and 155.6 ± 45.5s) than in controls (58.08 ± 13.2, 74.3 ± 21.1, 96.7 ± 36.8s; p < 0.001) while the overshoot of PETO2, VE/VO2 and RER was significantly lower in patients (7.2 ± 3.3, 41.9 ± 29.1 and 25.0 ± 13.6%) than in controls (10.1 ± 4.6, 62.1 ± 17.7 and 38.7 ± 15.1%; all p < 0.01). Most of the recovery metrics were significantly correlated with peak VO2 in CHF patients, but not with LVEF. CONCLUSIONS: Patients with CHF have a significantly blunted recovery from peak exercise. This is reflected in delays of VO2, VCO2, VE, PETO2, RER and VE/VO2, reflecting a greater energy required to return to baseline. Abnormal respiratory gas kinetics in CHF was negatively correlated with peak VO2 but not baseline LVEF.

Respiratory gas kinetics in patients with congestive heart failure during recovery from peak exercise

Abstract Background Cardiopulmonary Exercise Testing (CPX) is essential for the assessment of exercise capacity for patients with Chronic Heart Failure (CHF). Respiratory gas and hemodynamic parameters such as Ventilatory Efficiency (VE/VCO2 slope), peak oxygen uptake (peak VO2), and heart rate recovery are established diagnostic and prognostic markers for clinical populations. Previous studies have suggested the clinical value of metrics related to respiratory gas collected during recovery from peak exercise, particularly recovery time to 50% (T1/2) of peak VO2. The current study explores these metrics in detail during recovery from peak exercise in CHF. Methods Patients with CHF who were referred for CPX and healthy individuals without formal diagnoses were assessed for inclusion. All subjects performed CPX on cycle ergometers to volitional exhaustion and were monitored for at least five minutes of recovery. CPX data were analyzed for overshoot of respiratory exchange ratio (RER=VCO2/VO2), ventilatory equivalent for oxygen (VE/VO2), end-tidal partial pressure of oxygen (PETO2), and T1/2 of peak VO2 and VCO2. Results Thirty-two patients with CHF and 30 controls were included. Peak VO2 differed significantly between patients and controls (13.5 ± 3.8 vs. 32.5 ± 9.8 mL/Kg*min−1, p < 0.001). Mean Left Ventricular Ejection Fraction (LVEF) was 35.9 ± 9.8% for patients with CHF compared to 61.1 ± 8.2% in the control group. The T1/2 of VO2, VCO2 and VE was significantly higher in patients (111.3 ± 51.0, 132.0 ± 38.8 and 155.6 ± 45.5s) than in controls (58.08 ± 13.2, 74.3 ± 21.1, 96.7 ± 36.8s; p < 0.001) while the overshoot of PETO2, VE/VO2 and RER was significantly lower in patients (7.2 ± 3.3, 41.9 ± 29.1 and 25.0 ± 13.6%) than in controls (10.1 ± 4.6, 62.1 ± 17.7 and 38.7 ± 15.1%; all p < 0.01). Most of the recovery metrics were significantly correlated with peak VO2 in CHF patients, but not with LVEF. Conclusions Patients with CHF have a significantly blunted recovery from peak exercise. This is reflected in delays of VO2, VCO2, VE, PETO2, RER and VE/VO2, reflecting a greater energy required to return to baseline. Abnormal respiratory gas kinetics in CHF was negatively correlated with peak VO2 but not baseline LVEF.

Active microrheology of colloidal suspensions of hard cuboids.

By performing dynamic Monte Carlo simulations, we investigate the microrheology of isotropic suspensions of hard-core colloidal cuboids. In particular, we infer the local viscoelastic behavior of these fluids by studying the dynamics of a probe spherical particle that is incorporated in the host phase and is dragged by an external force. This technique, known as active microrheology, allows one to characterize the microscopic response of soft materials upon application of a constant force, whose intensity spans here three orders of magnitude. By tuning the geometry of cuboids from oblate to prolate as well as the system density, we observe different responses that are quantified by measuring the effective friction perceived by the probe particle. The resulting friction coefficient exhibits a linear regime at forces that are much weaker and larger than the thermal forces, whereas a nonlinear, force-thinning regime is observed at intermediate force intensities.

Structural relaxation dynamics of colloidal nanotrimers.

By Molecular Dynamics simulation, we investigate the dynamics of isotropic fluids of colloidal nanotrimers whose interactions are described by varying the strength of attractive and repulsive terms of the Mie potential. To provide a consistent comparison between the systems described by different force fields, we determine the phase diagram and critical points of each system, characterize the morphology of high-density liquid phases at the same reduced temperature and density, and finally investigate their long-time relaxation dynamics. In particular, we detect an especially complex dynamics that reveals the existence of slow and fast nanotrimers and the resulting occurrence of non-Gaussianity, which develops at intermediate timescales. Deviations from Gaussianity are temporary and vanish within the timescales of the system's density fluctuations decay, when a Fickian-like diffusion regime is eventually observed.

Long-time relaxation dynamics in nematic and smectic liquid crystals of soft repulsive colloidal rods.

Understanding the relaxation dynamics of colloidal suspensions is crucial to identifying the elements that influence the mobility of their constituents, assessing their macroscopic response across the relevant time and length scales, and thus disclosing the fundamentals underpinning their exploitation in formulation engineering. In this work, we specifically assess the impact of long-ranged ordering on the relaxation dynamics of suspensions of soft repulsive rodlike particles, which are able to self-organize into nematic and smectic liquid-crystalline phases. Rods are modeled as soft repulsive spherocylinders with a length-to-diameter ratio L^{★}=5, interacting via the truncated and shifted Kihara potential. By performing dynamic Monte Carlo simulations, we analyze the effect of translational and orientational order on the diffusion of the rods along the relevant directions imposed by the morphology of the background phases. To provide a clear picture of the resulting dynamics, we assess its dependence on temperature, which can dramatically determine the response time of the system relaxation and the self-diffusion coefficients of the rods. The computation of the van Hove correlation functions allows us to identify the existence of rods that diffuse significantly faster than the average and whose concentration can be accurately adjusted by a suitable choice of temperature.

Microrheology of colloidal suspensions via dynamic Monte Carlo simulations.

Understanding the rheology of colloidal suspensions is crucial in the formulation of a wide selection of industry-relevant products, such as paints, foods and inks. To characterise the viscoelastic behaviour of these soft materials, one can analyse the microscopic dynamics of colloidal tracers diffusing through the host fluid and generating local deformations and stresses. This technique, referred to as microrheology, links the bulk rheology of fluids to the microscopic dynamics at the particle scale. If tracers are subjected to external forces, rather than freely diffusing, it is called active microrheology. Motivated by the impact of microrheology in providing information on local structure in complex systems such as colloidal glasses, active matter or biological systems, we have extended the dynamic Monte Carlo (DMC) technique to investigate active microrheology in colloidal suspensions. The original DMC theoretical framework, able to accurately describe the Brownian dynamics of colloids at equilibrium, is here reconsidered and expanded to describe the effects of an external force pulling a tracer embedded in isotropic colloidal suspensions at different densities. To this end, we studied the dynamics of a spherical tracer dragged by a constant external force through a bath of spherical and rod-like particles of comparable size. We could extract valuable details on its effective friction coefficient, being constant at small and large values of the external force, but otherwise displaying a nonlinear behaviour that indicates the occurrence of a force-thinning regime. Our DMC simulation results are in excellent quantitative agreement with past Langevin dynamics simulations and theoretical works for the bath of spherical colloids. The bath of rod-like particles is studied in the isotropic phase, and displays an example where DMC is more convenient than Brownian or Langevin dynamics, in this case, in dealing with particle rotation.

Physical Fitness as a Prognostic Marker for Infectious Events in Kidney Transplant Recipients.

INTRODUCTION: Infectious events are one of the leading causes of death in kidney transplant recipients (KTRs). KTRs have reduced cardiorespiratory fitness (CRF), a predictor for infections in other populations. The aim of this study was to investigate whether CRF and muscle strength are prognostic markers for infectious events in KTRs. METHODS: In this retrospective cohort study, 155 KTRs underwent an incremental, maximal cardiopulmonary exercise test (CPET) 3 months after transplantation. CRF was analyzed with peak oxygen consumption (VO2 peak) while muscle strength with isometric handgrip (HG) test. Laboratory blood samples and drug therapy were collected. The median follow-up period was 54 (interquartile range 38-62) months. Cox regression analyses were performed to evaluate predictors of infectious events adjusting for potential confounders. RESULTS: During this study, severe infectious events occurred in 41 subjects (26.5%). 15.5% (n = 24) of patients had a severely reduced CRF, defined as a VO2 peak below the 5th percentile of the reference values reported for a matched healthy population. The hazard ratio for infectious events in this subgroup was 2.389 (95% CI = 1.188-4.801, p = 0.014), independently of gender, age, BMI, time on dialysis, hemoglobin concentration, eGFR, diabetes, and immunosuppressive regimen. On the contrary, no significant association of HG strength and infections was found. CONCLUSION: Therefore, low CRF may be considered as a modifiable predictor of severe infectious events in KTRs. A CPET should thus be recommended for cardiovascular screening, evaluation of CRF, and tailored exercise prescription to reduce the risk of infections and potentially improve long-term outcomes of transplantation.

Overshoot of the Respiratory Exchange Ratio during Recovery from Maximal Exercise Testing in Kidney Transplant Recipients.

The overshoot of the respiratory exchange ratio (RER) during recovery from exercise has been found to be reduced in magnitude among patients with heart failure. The aim of this study is to investigate whether this phenomenon could also be present in patients with peripheral, and not cardiac, limitations to exercise such as kidney transplant recipients (KTRs). In this retrospective cross-sectional study, KTRs were evaluated with maximal cardiopulmonary exercise testing (CPET) assessing the RER overshoot parameters during recovery: the RER at peak exercise, the maximum RER value reached during recovery, the magnitude of the RER overshoot (RER mag = (RER max-peak RER)/peak RER%) and the linear slope of the RER increase after the end of exercise. A total of 57 KTRs were included in the study (16 females), all of them showing a significant RER overshoot (RER mag: 28.4 ± 12.7%). Moreover, the RER mag showed significant correlations with the fitness of patients (peak VO2: ρ = 0.57, p < 0.01) and cardiorespiratory efficiency (VE/VCO2 slope: r = -0.32, p < 0.05; oxygen uptake efficiency slope (OUES): r = 0.48, p < 0.01). Indeed, the RER mag was significantly different between the subgroups stratified by Weber's fitness class or a ventilatory efficiency class. Our study is the first to investigate recovery of the RER in a population of KTRs, which correlates well with known prognostic CPET markers of cardiorespiratory fitness, determining the RER mag as the most meaningful RER overshoot parameter. Thus, the RER recovery might be included in CPET evaluations to further improve prognostic risk stratifications in KTRs and other chronic diseases.

Molecular Dynamics of Janus Nanodimers Dispersed in Lamellar Phases of a Block Copolymer.

We investigate structural and dynamical properties of Janus nanodimers (NDs) dispersed in lamellar phases of a diblock copolymer. By performing molecular dynamics simulations, we show that an accurate tuning of the interactions between NDs and copolymer blocks can lead to a close control of NDs' space distribution and orientation. In particular, NDs are preferentially found within the lamellae if enthalpy-driven forces offset their entropic counterpart. By contrast, when enthalpy-driven forces are not significant, the distribution of NDs, preferentially observed within the inter-lamellar spacing, is mostly driven by excluded-volume effects. Not only does the degree of affinity between host and guest species drive the NDs' distribution in the polymer matrix, but it also determines their space orientation. In turn, these key structural properties influence the long-time dynamics and the ability of NDs to diffuse through the polymer matrix.

Polymer-induced microcolony compaction in early biofilms: A computer simulation study.

Microscopic organisms, such as bacteria, have the ability of colonizing surfaces and developing biofilms that can determine diseases and infections. Most bacteria secrete a significant amount of extracellular polymer substances that are relevant for biofilm stabilization and growth. In this work, we apply computer simulation and perform experiments to investigate the impact of polymer size and concentration on early biofilm formation and growth. We observe as bacterial cells formed loose, disorganized clusters whenever the effect of diffusion exceeded that of cell growth and division. Addition of model polymeric molecules induced particle self-assembly and aggregation to form compact clusters in a polymer size- and concentration-dependent fashion. We also find that large polymer size or concentration lead to the development of intriguing stripe-like and dendritic colonies. The results obtained by Brownian dynamic simulation closely resemble the morphologies that we experimentally observe in biofilms of a Pseudomonas Putida strain with added polymers. The analysis of the Brownian dynamic simulation results suggests the existence of a threshold polymer concentration that distinguishes between two growth regimes. Below this threshold, the main force driving polymer-induced compaction is the hindrance of bacterial cell diffusion, while collective effects play a minor role. Above this threshold, especially for large polymers, polymer-induced compaction is a collective phenomenon driven by depletion forces. Well above this concentration threshold, severely limited diffusion drives the formation of filaments and dendritic colonies.

Nonconventional Phases of Colloidal Nanorods with a Soft Corona.

Using computer simulations, we investigate the phase behavior of hard-core spherocylinders with a length-to-diameter ratio L/σ=5 and coated by a soft deformable corona of length λ/σ=1.35. When quasi-two-dimensional layers are formed in smectic and solid phases at low temperatures, the competition between the two intrinsic length scales of the parallel aligned particles leads to the stabilization of different in-plane lattices of nonconventional symmetry, including low-density hexagonal, square, and high-density hexagonal crystals, as well as an intriguing dodecagonal quasicrystal. Our Letter opens up the opportunity to control the assembly of anisotropic nanoparticles into structures with preengineered symmetry-dependent physical properties.

A clinical evaluation of VO2 kinetics in kidney transplant recipients.

PURPOSE: Aerobic exercise capacity is reduced in patients with chronic kidney disease, partly due to alterations at the muscular and microvascular level. This study evaluated oxygen uptake (VO2) kinetics as indicator of muscular oxidative metabolism in a population of Kidney Transplant Recipients (KTRs). METHODS: Two groups of KTRs enrolled 3 (n = 21) and 12 months (n = 14) after transplantation and a control group of healthy young adults (n = 16) underwent cardiopulmonary exercise testing on cycle-ergometer. The protocol consisted in two subsequent constant, moderate-load exercise phases with a final incremental test until exhaustion. RESULTS: The time constant of VO2 kinetics was slower in KTRs at 3 and 12 months after transplantation compared to controls (50.4 ± 13.1 s and 43.8 ± 11.6 s vs 28.9 ± 8.4 s, respectively; P < 0.01). Peak VO2 was lower in KTRs evaluated 3 months after transplantation compared to patients evaluated after 1 year (21.3 ± 4.3 and 26.4 ± 8.0 mL/kg/min; P = 0.04). Blood haemoglobin (Hb) concentration was higher in KTRs evaluated at 12 months (12.8 ± 1.7 vs 14.6 ± 1.7 g/dL; P < 0.01). Among KTRs, τ showed a moderate negative correlation with Peak VO2 (ρ = - 0.52) and Oxygen uptake efficiency slope (OUES) (r = - 0.57) while no significant correlation with Hb and peak heart rate. CONCLUSIONS: KTRs show slower VO2 kinetics compared to healthy controls. Hb and peak VO2 seem to improve during the first year after transplantation. VO2 kinetics were significantly associated with indices of cardiorespiratory fitness, but less with central determinants of aerobic capacity, thus suggesting a potential usefulness of adding this index of muscular oxidative metabolism to functional evaluation in KTRs.

Effect of a Home-Based Exercise Program on Indices of Physical Function and Quality of Life in Elderly Maintenance Hemodialysis Patients.

BACKGROUND: Patients on maintenance hemodialysis (MHD) exhibit muscle wasting and impaired physical function which can be reversed with regular exercise, but accessibility to exercise programs for this unique population is lacking. We assessed the efficacy of a home-based exercise program on a broad range of indices of physical function, quality of life (QoL), and cognitive decline in patients with MHD. DESIGN AND METHODS: Twenty-eight MHD patients, mean age 66 ± 7 years, were randomized to a 12-week home-based, case-managed aerobic and resistance exercise program or to usual care (13 exercise and 15 usual care). Comparisons were made for peak VO2, ventilatory inefficiency, 6-min walk test (6MWT), 1-min sit-to-stand (1STS), muscle strength, body composition, QoL, and cognitive measures. RESULTS: Peak VO2 improved significantly in the exercise group (p = 0.01 between groups); exercise time improved by 41 and 36% at the ventilatory threshold and peak exercise, respectively (p < 0.01 between groups), but there were no differences in ventilatory efficiency. Trends for improvements in 6MWT and 1STS in the exercise group were observed, but no differences were observed in strength or body composition. Among measures of QoL, general health determined by the SF-36 improved in the exercise group, but there were no differences between groups in cognitive function. CONCLUSIONS: MHD patients improved exercise capacity and some indices of QoL following a 12-week home-based exercise program. Home-based exercise is feasible for patients undergoing MHD and may help to obviate accessibility barriers to regular exercise.

Exercise-Based Cardiac Rehabilitation Programs in Heart Failure Patients.

Exercise training is recommended for patients with heart failure by major societies' guidelines. It improves exercise capacity and quality of life, reduces symptoms of depression, can improve survival, and reduce the risk for hospitalizations. Exercise-based cardiac rehabilitation can be offered with different modalities, such as continuous or interval aerobic training, resistance, and inspiratory muscle training. The intervention must follow an accurate evaluation of the patient's cardiovascular conditions and functional capacity. Despite the multiple benefits of exercise training, there is a lack of adherence to exercise-based programs, due to socioeconomic factors, patients' characteristics, and lack of referral.

Systemic Inflammation, Vascular Function, and Endothelial Progenitor Cells after an Exercise Training Intervention in COPD.

BACKGROUND: Exercise training is a cornerstone of the treatment of chronic obstructive pulmonary disease (COPD) in all disease stages. Data about the training effects with supplemental oxygen in nonhypoxemic patients remains inconclusive. In this study we set out to investigate the training and oxygen effects on inflammatory markers, vascular function, and endothelial progenitor cells in this population of increased cardiovascular risk. METHODS: In this prospective, randomized, double-blind, crossover study, 29 patients with nonhypoxemic COPD performed combined endurance and strength training 3 times a week while breathing medical air or supplemental oxygen for the first 6-week period, and were then reallocated to the opposite gas for the following 6 weeks. Exercise capacity, inflammatory biomarkers, endothelial function (peripheral arterial tone analysis), and endothelial progenitor cells were assessed. Data were also analyzed for a subgroup with endothelial dysfunction (reactive hyperemia index <1.67). RESULTS: Following 12 weeks of exercise training, patients demonstrated a significant improvement of peak work rate and an associated decrease of blood fibrinogen and leptin. Eosinophils were found significantly reduced after exercise training in patients with endothelial dysfunction. In this subgroup, peripheral arterial tone analysis revealed a significant improvement of reactive hyperemia index. Generally, late endothelial progenitor cells were found significantly reduced after the exercise training intervention. Supplemental oxygen during training positively influenced the effect on exercise capacity without impact on inflammation and endothelial function. CONCLUSIONS: This is the first randomized controlled trial in patients with COPD to show beneficial effects of exercise training not only on exercise capacity, but also on systemic/eosinophilic inflammation and endothelial dysfunction.

Helicoidal dynamics of biaxial curved rods in twist-bend nematic phases unveiled by unsupervised machine learning techniques.

Uniaxial rods in a nematic phase diffuse preferentially in the direction parallel to the nematic director n[over ̂]. The nematic director field n[over ̂](r) of a chiral twist-bend nematic (N_{TB}) phase of achiral banana-shaped particles, recently discovered experimentally, displays a heliconical twist of given handedness and periodicity. Using simulations, we investigate the long-time macroscopic diffusion in N_{TB} phases, and find that the predilection of curved rods to diffuse in the direction of the twisting n[over ̂](r) yields a fascinating chiral dynamics along helices, even though achiral curved rods display Brownian motion with a nontrivial rototranslational coupling. We devise a machine learning protocol to characterize the helicoidal particle trajectories, finding that their pitch and radius are determined by the pitch and conical angle of the N_{TB} phase thereby connecting its structural and dynamical properties.