Dynamic elastance

Guanine quadruplex (GQ) is a noncanonical nucleic acid structure formed by guanine-rich DNA and RNA sequences. Folding of GQs is a complex process, where several aspects remain elusive, despite being important for understanding structure formation and biological functions of GQs. Pulling experiments are a common tool for acquiring insights into the folding landscape of GQs. Herein, we applied a computational pulling strategy─steered molecular dynamics (SMD) simulations─in combination with standard molecular dynamics (MD) simulations to explore the unfolding landscapes of tetrameric parallel GQs...

Optical and acoustic tweezers, despite operating on different physical principles, offer non-contact manipulation of microscopic and mesoscopic objects, making them essential in fields like cell biology, medicine, and nanotechnology. The advantages and limitations of optical and acoustic manipulation complement each other, particularly in terms of trapping size, force intensity, and flexibility. We use photoacoustic effects to generate localized Lamb wave fields capable of mapping arbitrary laser pattern shapes...

INTRODUCTION: Stress is characterized as a challenging occurrence that triggers a physiological and/or behavioral allostatic response, alongside the demands typically encountered throughout the natural course of life. A sustained state of stress gives rise to secondary effects, including insomnia and neck pain. Also, the risk of musculoskeletal problems in the cervical and lumbar spine can be increased due to a sustained state of stress. The present study main objective is to study the association between orofacial and pelvic floor muscles in women in Spain...

This study evaluated the foaming properties, the dynamic adsorption behavior at the air/water (A/W) interface and the foam rheological characteristics of complexes formed by soy protein isolate (SPI) and different charged polysaccharides, including chitosan (CS), guar gum (GUG) and gellan gum (GEG). The results showed that the SPI/CS10 had the highest initial foam volume (26.67 mL), which were 3.89 %, 100.08 % and 70.19 % higher than that of single SPI, SPI/GUG and SPI/GEG complexes, respectively...

Dynamic networks composed of constituents that break and reform bonds reversibly are ubiquitous in nature owing to their modular architectures that enable functions like energy dissipation, self-healing, and even activity. While bond breaking depends only on the current configuration of attachment in these networks, reattachment depends also on the proximity of constituents. Therefore, dynamic networks composed of macroscale constituents (not benefited by the secondary interactions cohering analogous networks composed of molecular-scale constituents) must rely on primary bonds for cohesion and self-repair...

Carbon materials with full sp2 -hybridized buckling is a major challenge pervading fundamental nanoscience and nanotechnology research. Carbon atoms that are sp2 hybridized prefer to form hexagonal rings, such as in carbon nanotubes and graphene, which are low-dimensional materials. The incorporation of heptagonal, octagonal, and/or larger rings into a hexagonal sp2 carbon meshwork has been identified as a strategy for assembling three-dimensional (3D) sp2 carbon crystals, and one of the typical representatives are Schwarzite carbons, which possess a negative surface Gaussian curvature as well as unique physical properties...

This article presents a parametrized response model that enhances the limit of detection (LOD) of piezoelectrically driven microcantilever (PD-MC) based gas sensors by accounting for the adsorption-induced variations in elastic properties of the functionalization layer (binder) and the nonlinear motional dynamics of the PD-MC. The developed model is demonstrated for quantifying cadaverine, a volatile biogenic diamine whose concentration is used to assess the freshness of meat. At low concentrations of cadaverine, an increase in the resonance frequency is observed, contrary to the expected reduction due to mass added by adsorption...

This study provides a comprehensive analysis of the electronic and optical properties of low-energy gallium oxide (Ga2 O3 ) polytypes not considered earlier. Among these polytypes, the monoclinic structure (β-Ga2 O3 ) holds significant relevance for both research and practical applications due to its superior stability under typical conditions. The primary aim of this research is to identify new and stable Ga2 O3 polytypes that may exist under zero-temperature and zero-pressure conditions. To achieve this objective, we employ the VASP code to investigate electrical and optical properties, as well as stability assessments...

Hyaluronic acid (HA), the primary component of brain extracellular matrix, is increasingly used to model neuropathological processes, including glioblastoma (GBM) tumor invasion. While elastic hydrogels based on crosslinked low-molecular-weight (LMW) HA are widely exploited for this purpose and have proven valuable for discovery and screening, brain tissue is both viscoelastic and rich in high-MW (HMW) HA, and it remains unclear how these differences influence invasion. To address this question, hydrogels comprised of either HMW (1...

Hybrid hydrogels are hydrogels that exhibit heterogeneity in the network architecture by means of chemical composition and/or microstructure. The different types of interactions, together with structural heterogeneity, which can be created on different length scales, determine the mechanical properties of the final material to a large extent. In this work, the microstructure-mechanical property relationships for a hybrid hydrogel that contains both electrostatic and covalent interactions are investigated. The hybrid hydrogel is composed of a microphase-separated polyelectrolyte complex network (PEC) made of poly(4-styrenesulfonate) and poly(diallyldimethylammonium chloride) within a soft and elastic polyacrylamide hydrogel network...

There is usually a trade-off between high mechanical strength and dynamic self-healing because the mechanisms of these properties are mutually exclusive. Herein, we design and fabricate a fluorinated phenolic polyurethane (FPPU) elastomer based on octafluoro-4,4'-biphenol to overcome this challenge. This fluorine-based motif not only tunes interchain interactions through π-π stacking between aromatic rings and free-volume among polymer chains but also improves the reversibility of phenol-carbamate bonds via electron-withdrawing effect of fluorine atoms...

Oil dispersion, a crucial process in oil transport, involves the detachment of oil droplets from slicks and their introduction into the water column, influencing subsequent oil migration and transformation. This study examines oil dispersion, considering characteristics, stability, and mechanisms, while evaluating the impact of dispersants and salinity. Results show the significant role of surfactant type in dispersants on oil dispersion characteristics, with anionic surfactants exhibiting higher sensitivity to salinity changes compared to nonionic surfactants...

The manipulation of excitation modes and resultant emission colors in luminescent materials holds pivotal importance for encrypting information in anti-counterfeiting applications. Despite considerable achievements in multimodal and multicolor luminescent materials, existing options generally suffer from static monocolor emission under fixed external stimulation, rendering them vulnerability to replication. Achieving dynamic multimodal luminescence within a single material presents a promising yet challenging solution...

Dynamic molecular crystals are an emerging class of crystalline materials that can respond to mechanical stress by dissipating internal strain in a number of ways. Given the serendipitous nature of the discovery of such crystals, progress in the field requires advances in computational methods for the accurate and high-throughput computation of the nanomechanical properties of crystals on specific facets which are exposed to mechanical stress. Here, we develop and apply a new atomistic model for computing the surface elastic moduli of crystals on any set of facets of interest using dispersion-corrected density functional theory (DFT-D) methods...

The compressibility of soft colloids influences their phase behavior and flow properties, especially in concentrated suspensions. Particle compressibility, which is proportional to the reciprocal of the bulk modulus K, is a key parameter for soft polymer-based particles that can be compressed in crowded environments. Here, microgels with different degrees of crosslinking, i.e. softness, are investigated below and above their volume phase transition temperature VPTT. By combining molecular dynamics simulations with small-angle neutron scattering with contrast variation, a change in the particle bulk moduli of two orders of magnitude is observed...

To study the effects of basalt fibers (BFs), calcium sulfate whiskers (CSWs), and modified calcium sulfate whiskers (MCSWs) on the compressive strength and dynamic modulus of elasticity of concrete, this paper utilizes Mercury Intrusion Porosimetry (MIP) to measure the microstructure of concrete and calculate the fractal dimension of pore surface area. The results indicate that both CSWs and BFs can increase the compressive strength of concrete. CSWs can enhance the dynamic modulus of elasticity of concrete, while the effect of BFs on the dynamic modulus of elasticity is not significant...

To address the problem of insufficient temperature and salt resistance of existing polymer viscosity enhancers, we designed an organic-inorganic hybrid composite as a viscosity enhancer for water-based drilling fluids, named LAZ, and it was prepared by combining a water-soluble monomer and lithium magnesium silicate (LMS) using an intercalation polymerization method. The composite LAZ was characterized using Fourier transform infrared spectroscopy, transformed target X-ray diffractometry, scanning electron microscopy, and thermogravimetric analysis...

Manganese slag (MS) containing a certain amount of active hydration substances may be used as a kind of cementitious material. In the present study, we measured the mass, the relative dynamic modulus of elasticity (RDME), and the flexural and compressive strengths of MS high-performance concrete (MS-HPC) with added basalt fibers exposed to NaCl freeze-thaw cycles (N-FCs), NaCl dry-wet alternations (N-DAs), and Na2 SO4 dry-wet alternations (NS-DAs). Scanning electron microscope energy-dispersive spectrometer (SEM-EDS) spectra, thermogravimetric analysis (TG) curves, and X-ray diffraction spectroscopy (XRD) curves were obtained...

Maize kernels were treated using two varieties of drying methodologies, namely combined hot air- and vacuum-drying (HAVD) and natural drying (ND). We performed frequency sweep tests, modified Cole-Cole (MCC) analysis, and frequency-temperature superposition (FTS) on these kernels. The kernels' elastic and viscous properties for ND were higher than those for HAVD. The heterogeneous nature of maize kernel may account for the curvature in MCC plot for the kernel treated by HAVD 75 °C and the failure of FTS...

Understanding and characterizing semi-crystalline models with crystalline and amorphous segments is crucial for industrial applications. A coarse-grained molecular dynamics (CGMD) simulations study probed the crystal network formation in high-density polyethylene (HDPE) from melt, and shed light on tensile properties for microstructure analysis. Modified Paul-Yoon-Smith (PYS/R) forcefield parameters are used to compute the interatomic forces among the PE chains. The isothermal crystallization at 300 K and 1 atm predicts the multi-nucleus crystal growth; moreover, the lamellar crystal stems and amorphous region are alternatively oriented...