The electronic structure and self-polarization of P(VDF-TrFE) Langmuir-Blodgett nanofilms were analyzed under temperature-driven phase transitions, according to their thickness, composition, and structural conformation. Both thermo-stimulated exoelectron emission (TSEE) spectroscopy and computational simulation, including quantum-chemical calculations from first principles, were carried out. PVDF and composite P(VDF-TrFE) (70:30) molecular chains as Trans and Gauche conformers, as well as crystal cells, were modeled for these TSEE analyses. The quantum-chemical calculations and the computational simulation were based on the density functional theory (DFT) as well as semi-empirical (PM3) methods. It was demonstrated that the energy of electron states, as well as the total energies of the studied P(VDF-TrFE) molecular clusters during phase transformation, is influenced by electron work function and electron affinity. Analysis was performed by combining TSEE experimental data with the computational data of the molecular models, demonstrating the effectiveness of this joint approach. For the first time, TSEE was used for contactless measurements of nanofilm polarization, and characterization of the phase transition. The proposed new method can be widely applied in nanobiomedicine, particularly in development of new bone bio-implants, including built-in sensors (new smart nanotechnology).

In this work, the properties of hydroxyapatite (HAP) nanoparticles (NPs) have been studied both theoretically and experimentally focusing on computational analysis. HAP is widely used to fabricate implants, for drug delivery, etc. The physical properties of the nanosized HAP particles play an important role in the interaction with cells in the human body and are of great interest. Computer simulation was employed to understand the properties of HAP clusters (Ca(5)(PO(4))(3)OH) including formation energies, dipole moments and polarization (surface charges) by molecular mechanics (MM + , OPLS) and mostly by quantum semi-empirical Hartree-Fock (PM3) methods. The size of the simulated cluster is found to affect its dipole moment, polarization, and, finally, the electron work function- ϕ. These parameters depend on the concentration of hydrogen atoms H (or protons) at the surface. Values of ϕ were experimentally estimated via photoelectron emission measurements. The magnitude of ϕ was demonstrated to have a positive correlation on sizes. The NPs demonstrated a capability to be gathered within conglomerates. This property is confirmed by the calculated data for various sizes. Their sizes have a positive correlation on ϕ by the native particles. The main results show that the distributions of dipole moments have very different space orientations (along the OX, OY and OZ axes, the OZ axis is oriented along the OH column) and change with the addition of hydrogen atoms, which saturate the broken hydrogen bonds. This electrical property of NP leads to different behaviors and motions with consequent aggregation: (1) for the case of NPs having dipole moment oriented preferably perpendicular to the OZ axis (with more hydrogen bonds saturated by added H)-the HAP NP aggregates with hexagonal orientation and forms a wider and more spherical shape (sphere-like or bundle-like); (2) for the case of NPs having dipole moment oriented along the OZ axis (as is the case in the absence of added protons or non-saturated hydrogen bonds)-the NPs firstly rotated and oriented along this axis to form the most elongated cylindrical shape (rod-like).

Wearable technologies provide many possibilities for applications in medicine, and especially in physiotherapy, where tracking and evaluation of body motion are of utmost importance. Despite the existence of multiple smart garments produced for applications in physiotherapy, there is limited information available on the actual impact of these technologies on the clinical outcomes. The objective of this paper is to evaluate the impact of the Double Aid (DAid) smart shirt, a purely textile-based system, on the training process of patients with subacromial pain syndrome. A randomized controlled trial was performed where patients with subacromial pain syndrome had to perform the assigned training exercises while employing the DAid smart shirt system. The core point of each exercise was to perform a movement while holding the shoulders stationary. The smart shirt was designed to sense even slight shoulder motion thus providing the patient with feedback on the accuracy of the motion, and allowing the patient to adjust the movement. The appropriate muscles should be strengthened through an increased effort to control the shoulder motion. The recovery of patients using the feedback system at the end of the treatment was compared to that of a reference group through standardized tests—the Disabilities of the Arm, Shoulder, and Hand score (DASH score), Closed Kinetic Chain Upper Extremity Stability test (CKCUES test), and internal/external rotation ratio. The test group that used the DAid system demonstrated significantly better results of the performed tests for all applied outcome measures compared to the reference group (p < 0.001). An overall positive impact on the patient recovery was observed from the DAid smart shirt system when applied for rehabilitation training of patients with subacromial pain syndrome.

(1) Background: The development of a lightweight, easy-to-use system that measures the foot’s plantar pressure is becoming an increasingly important area of research in physiotherapy. For further development of the smart sock system, a formative usability study was conducted, where the smart textile sock sensor system was used for self-correction during functional tasks; (2) Methods: Five athletes from the football school participated in the formative usability study. Athletes performed pre-defined functional tasks for self-correction when interacting with the smart textile sock system. Formative usability evaluation methods: effectiveness (task success rate, error rate), efficiency (time-based), satisfaction evaluated by System Usability Scale (SUS); (3) Results: Formative usability indicators: task completeness effectiveness ranged from 40% to 100% in the first- and second-stage tasks. Completed task efficiency time: Stage 1, from 4.2 s (SD 1.3) to 88.8 s (SD 19.8); Stage 2, from 7.2 s (SD 1.9) to 9.6 s (SD 2.1). Satisfaction was assessed by the SUS system user group with 76 points (SD 7.42), which indicates “good” satisfaction; (4) Conclusions: formative usability indicators showed the need for technical improvements to the smart textile sock pressure sensor system. The SUS results indicate “good” satisfaction with the smart textile sock pressure sensor system and its application.