Development of Flexible Biceps Tremors Sensing Chip of PVDF Fibers with Nano-Silver Particles by Near-Field Electrospinning

Polyvinylidene fluoride (PVDF) and AgNO3/PVDF composite piezoelectric fibers were prepared using near-field electrospinning technology. The prepared fibers are attached to the electrode sheet and encapsulated with polydimethylsiloxane to create an energy acquisition device and further fabricated into a dynamic sensing element. The addition of AgNO3 significantly increased the conductivity of the solution from 40.33 μS/cm to 883.59 μS/cm, which in turn made the fiber drawing condition smoother with the increase of high voltage electric field and reduced the fiber wire diameter size from 0.37 μm to 0.23 μm. The tapping test shows that the voltage signal can reach ~0.9 V at a frequency of 7 Hz, and the energy conversion efficiency is twice that of the PVDF output voltage. The addition of AgNO3 effectively enhances the molecular bonding ability, which effectively increases the piezoelectric constants of PVDF piezoelectric fibers. When the human body is exercised for a long period of time and the body is overloaded, the biceps muscle is found to produce 8 to 16 tremors/second through five arm flexion movements. The voltage output of the flexible dynamic soft sensor is between 0.7–0.9 V and shows an orderly alternating current waveform of voltage signals. The sensor can be used to detect muscle tremors after high-intensity training and to obtain advance information about changes in the symptoms of fasciculation, allowing for more accurate diagnosis and treatment.

Auger electron angular distributions following excitation or ionization from the Xe 3d and F 1s levels in xenon difluoride

Electron spectroscopy following Xe 3d and F 1s ionization in XeF2 elucidates the influence of core electrons on molecular bonding.

Conformational Characterization of the Co-Activator Binding Site Revealed the Mechanism to Achieve the Bioactive State of FXR

FXR bioactive states are responsible for the regulation of metabolic pathways, which are modulated by agonists and co-activators. The synergy between agonist binding and ‘co-activator’ recruitment is highly conformationally driven. The characterization of conformational dynamics is essential for mechanistic and therapeutic understanding. To shed light on the conformational ensembles, dynamics, and structural determinants that govern the activation process of FXR, molecular dynamic (MD) simulation is employed. Atomic insights into the ligand binding domain (LBD) of FXR revealed significant differences in inter/intra molecular bonding patterns, leading to structural anomalies in different systems of FXR. The sole presence of an agonist or ‘co-activator’ fails to achieve the essential bioactive conformation of FXR. However, the presence of both establishes the bioactive conformation of FXR as they modulate the internal wiring of key residues that coordinate allosteric structural transitions and their activity. We provide a precise description of critical residue positioning during conformational changes that elucidate the synergy between its binding partners to achieve an FXR activation state. Our study offers insights into the associated modulation occurring in FXR at bound and unbound forms. Thereafter, we also identified hot-spots that are critical to arrest the activation mechanism of FXR that would be helpful for the rational design of its agonists.

Design and Development of Project Set Up for Gas Cutter for Straight Line Cutting

The Gas Profile cutting machine is one of the essential machine tool in the workshop, in this study it has seen that when the high temperature burning flame is in contact with the material particle, the material particle melts and the inter-molecular bonding gets break off to separate the material from each other. In this paper the design of various parts required in gas cutting machine is determined & calculations are interpreted. In this project we have tried to develop a low cost and simple mechanized arrangement for plasma coating on textile rollers.

From Structure to Atoms: Compression/Tension Systems to a Molecular Tensegrity

We reconsider macroscopic structure, including tensegrity structures, as ensembles of compression (C; repulsion) and tension (T; attraction) forces, and fit them to a triangular spectrum. Then, derivative structural analogy is made to the three classes of molecular bonding, as a bridge to microscopic structure. Basic molecular interactions and their “C/T” analogues are ionic bonds (with continuous compression/discontinuous tension), or metallic bonds (with both continuous tension and compression), or covalent bonds (with discontinuous compression/continuous tension—a tensegrity structure). The construction of tensegrity sculptures of particle interactions and the covalent molecules dihydrogen, methane, diborane, and benzene using tension and compression elements follows. We derived and utilized two properties in this analysis: 1) a “simplest tensegrity” subunit structure and 2) interpenetrating, discontinuous compressive members—tension members may also be discontinuous. This approach provides new artistic models for molecules and materials, and may inform future artistic, architectural, engineering and scientific endeavors.

Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity

Following the pioneering investigations of Bader on the topology of molecular electron density, the topology analysis of its sister field viz. molecular electrostatic potential (MESP) was taken up by the authors’ groups. Through these studies, MESP topology emerged as a powerful tool for exploring molecular bonding and reactivity patterns. The MESP topology features are mapped in terms of its critical points (CPs), such as bond critical points (BCPs), while the minima identify electron-rich locations, such as lone pairs and π-bonds. The gradient paths of MESP vividly bring out the atoms-in-molecule picture of neutral molecules and anions. The MESP-based characterization of a molecule in terms of electron-rich and -deficient regions provides a robust prediction about its interaction with other molecules. This leads to a clear picture of molecular aggregation, hydrogen bonding, lone pair–π interactions, π-conjugation, aromaticity and reaction mechanisms. This review summarizes the contributions of the authors’ groups over the last three decades and those of the other active groups towards understanding chemical bonding, molecular recognition, and reactivity through topology analysis of MESP.

Evolution of Order in Soft Materials under Nanoscale Confinement: Structure and Bonding

Soft materials can be confined either at interfaces or as films. In either case, internal forces are developed that, due to the softness of the materials, can cause large scale changes in bonding and structure, at microscopic and/or mesoscopic length scales, which in turn give rise to properties drastically different from bulk matter. Here we focus on the evolution of spontaneous order in simple and complex fluids under one-dimensional geometrical confinement as obtains in ultrathin films and at liquid-solid interfaces. We present a very brief review of research on the structural characteristics of such ordering and the changes in molecular bonding that cause these structural changes. We also discuss some effects of this ordering on some transport properties.