Predicting the Temperature Dependence of Surfactant CMCs Using Graph Neural Networks.

The critical micelle concentration (CMC) of surfactant molecules is an essential property for surfactant applications in the industry. Recently, classical quantitative structure-property relationship (QSPR) and graph neural networks (GNNs), a deep learning technique, have been successfully applied to predict the CMC of surfactants at room temperature. However, these models have not yet considered the temperature dependence of the CMC, which is highly relevant to practical applications.

Digital Well-being Through the Use of Technology-A Perspective.

- John Donne According to the World Health Organization, health is "a state of complete physical, mental and social well-being and not merely the absence of disease and infirmity." Our healthcare industry, public behaviors, and environment have grown exponentially with digital technologies in the era of the 4 industrial revolution. Due to rapid digitalization and easy availability of the internet, we are now online round the clock on our digital devices, leaving behind digital traces/information.

Performance Analysis of the Dielectrically Modulated Junction-Less Nanotube Field Effect Transistor for Biomolecule Detection.

The design of a high-performance Dielectrically Modulated Field Effect Transistor (DMFET) with smaller device dimension (channel length ≤ 100nm) has recently drawn significant research attention for point-of-care (POC) diagenesis applications. Driven by this paradigm, a Hetero-Gate Metal Dielectrically Modulated Junction-Less Nanotube Field Effect Transistor (DM-JLNFET) architecture is introduced and systematically investigated for label-free electrochemical biosensing application with the help of extensive numerical device simulations. The DM-JLNFET is carefully designed to exploit the advantages of superior gate control over channel electrostatics and electron injection component as well as strong immunity towards the short channel effects that lead to a notably high sensing performance compared to its conventional counterparts.

Artificial intelligence enabled healthcare: A hype, hope or harm.

In this paper, we have described the health care problem (maldistribution of doctors) in India. Later, we have introduced the concept of artificial intelligence and we have described this technology with various examples, how it is rapidly changing the health care scenario across the world. We have also described the various advantages of artificial intelligence technology.

Noninvasive Ventilation-assisted Bronchoscopy in High-risk Hypoxemic Patients.

Background And Aims: Hypoxemic patients undergoing fiber-optic bronchoscopy (FOB) are at risk of worsening of respiratory failure requiring mechanical ventilation due to FOB procedure itself and its complications. As patients with respiratory failure are frequently managed by non-invasive ventilation (NIV); feasibility of FOB through NIV mask has been evaluated in some studies to avoid intubation. We describe here our own case series.

Strong Reduction of Thermal Conductivity and Enhanced Thermoelectric Properties in CoSbSSe Paracostibite.

In order to reduce the thermal conductivity of CoSbS, a newly developed thermoelectric semiconductor, we have aimed at intentionally induce atomic disorder in its structure. This endeavor was guided by Density Functional Theory(DFT) calculations which indicated that substituting sulfur with selenium might be easily achievable experimentally because of the low formation energy of this point defect. Thereby, CoSbSSe compounds having 0 ≤ x ≤ 1 have been synthesized by solid state reaction.

Association of angiotensinogen gene SNPs and haplotypes with risk of hypertension in eastern Indian population.

Background: Angiotensinogen (AGT) enzyme comprises a vital module of RAAS system that effectively controls the blood pressure and related cardiovascular functions. Ample association studies have reported the importance of AGT variants in cardiovascular and non-cardiovascular adversities. But lately, owing to the complexity of the many anomalies, the haplotype based examination of genetic variation that facilitates the identification of polymorphic sites which are located in the vicinity of the causative polymorphic site, gets greater appreciation.

Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles.

The interest in improving the thermoelectric response of bulk materials has received a boost after it has been recognized that layered materials, in particular SnSe, show a very large thermoelectric figure of merit. This result has received great attention while it is now possible to conceive other similar materials or experimental methods to improve this value. Before we can now think of engineering this material it is important we understand the basic mechanism that explains this unusual behavior, where very low thermal conductivity and a high thermopower result from a delicate balance between the crystal and electronic structure.

Achieving optimum carrier concentrations in p-doped SnS thermoelectrics.

Tin(II)sulfide, SnS, is a commercially viable and environmentally friendly thermoelectric material. Recently it was shown how the carrier concentration and the thermoelectric power factor can be optimized by Ag-doping in a sulphur rich environment. Theoretical calculations lead to a fairly accurate estimation of the carrier concentration, whereas the potential of doping with Li(+) is strongly overestimated.

Spin transport properties of triarylamine-based nanowires.

Triarylamine-derivatives can self-assemble upon light irradiation in one-dimensional nanowires with remarkable hole transport properties. We use a combination of density functional theory and Monte Carlo simulations to predict the nanowires spin-diffusion length. The orbital nature of the nanowires valence band, namely a singlet π-like band localised on N, suggests that hyperfine coupling may be weak and that spin-orbit interaction is the primary source of intrinsic spin relaxation.

First principles study of the structural, electronic, and transport properties of triarylamine-based nanowires.

We investigate with state of the art density functional theory the structural, electronic, and transport properties of a class of recently synthesized nanostructures based on triarylamine derivatives. First, we consider the single molecule precursors in the gas phase and calculate their static properties, namely (i) the geometrical structure of the neutral and cationic ions, (ii) the electronic structure of the frontier molecular orbitals, and (iii) the ionization potential, hole extraction potential, and internal reorganization energy. This initial study does not evidence any direct correlation between the properties of the individual molecules and their tendency to self-assembly.