Search results for "03 Chemical Sciences"
showing 10 items of 18 documents
Surface Characteristics of Machined Polystyrene with 3D Printed Thermoplastic Tool
2020
An effort is made in this work to appraise the surface characteristics of machined expandable polystyrene (EPS) with a novel 3D printed thermoplastic acrylonitrile-butadiene-styrene (ABS) tool. Linear grooves on EPS were made on a vertical milling machine that was modified to conduct experiments in the laboratory. The tests were designed as per the Taguchi L9 based factorial design of experimentation while varying process parameters such as depth of cut, spindle speed, and feed rate. The machining responses dimensional accuracy and surface roughness of the machined grooves were studied. Furthermore, the surface topography of the machined specimens was considered to investigate the mechanism…
Urban upbringing and childhood respiratory and allergic conditions: A multi-country holistic study
2018
Objective: We integratively assessed the effect of different indoor and outdoor environmental exposures early in life on respiratory and allergic health conditions among children from (sub-) urban areas. Methods: This study included children participating in four ongoing European birth cohorts located in three different geographical regions: INMA (Spain), LISAplus (Germany), GINIplus (Germany) and BAMSE (Sweden). Wheezing, bronchitis, asthma and allergic rhinitis throughout childhood were assessed using parental-completed questionnaires. We designed “environmental scores” corresponding to different indoor, green- and grey-related exposures (main analysis, a-priori-approach). Cohort-specific…
Aza-macrocyclic triphenylamine ligands for G-quadruplex recognition
2018
A new series of triphenylamine-based ligands with one (TPA1PY), two (TPA2PY) or three pendant aza-macrocycle(s) (TPA3PY) has been synthesised and studied by means of pH-metric titrations, UV/Vis spectroscopy and fluorescence experiments. The affinity of these ligands for G-quadruplex (G4) DNA and the selectivity they show for G4s over duplex DNA were investigated by Forster resonance energy transfer (FRET) melting assays, fluorimetric titrations and circular dichroism spectroscopy. Interestingly, the interactions of the bi- and especially the tri-branched ligands with G4s lead to a very intense redshifted fluorescence emission band that may be associated with intermolecular aggregation betw…
Clinical utility of novel biosensing platform: Diagnosis of coronavirus SARS-CoV-2 at point of care
2021
Early detection is the first step in the fight against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, an efficient, rapid, selective, specific, and inexpensive SARS-CoV-2 diagnostic method is the need of the hour. The reverse transcription-polymerase chain reaction (RT-PCR) technology is massively utilized to detect infection with SARS-CoV-2. However, scientists continue to strive to create enhanced technology while continually developing nanomaterial-enabled biosensing methods that can provide new methodologies, potentially fulfilling the present demand for rapid and early identification of coronavirus disease 2019 (COVID-19) patients. Our review presents a summar…
Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design
2017
International audience; Photoswitchable compounds, which can be reversibly switched between two isomers by light, continue to attract significant attention for a wide array of applications. Azoheteroarenes represent a relatively new but understudied type of photoswitch, where one of the aryl rings from the conventional azobenzene class has been replaced with a five-membered heteroaromatic ring. Initial studies have suggested the azoheteroarenes – the arylazopyrazoles in particular – to have excellent photoswitching properties (quantitative switching and long Z isomer half-life). Here we present a systematic computational and experimental study to elucidate the origin of the long thermal hal…
Arylazopyrazoles for Long-Term Thermal Energy Storage and Optically Triggered Heat Release below 0 °C.
2020
Arylazopyrazole derivatives based on four core structures (4pzMe, 3pzH, 4pzH, and 4pzH-F2) and functionalized with a dodecanoate group were demonstrated to store thermal energy in their metastable Z isomer liquid phase and release the energy by optically triggered crystallization at -30 °C for the first time. Three heat storage-release schemes were discovered involving different activation methods (optical, thermal, or combined) for generating liquid-state Z isomers capable of storing thermal energy. Visible light irradiation induced the selective crystallization of the liquid phase via Z-to-E isomerization, and the latent heat stored in the liquid Z isomers was preserved for longer than 2 …
Preparation of fouling resistant and highly perm-selective novel PSf/GO-vanillin nanofiltration membrane for efficient water purification
2022
International audience; To meet the rising global demand for water, it is necessary to develop membranes capable of efficiently purifying contaminated water sources. Herein, we report a series of novel polysulfone (PSf)/GO-vanillin nanofiltration membranes highly permeable, selective, and fouling resistant. The membranes are composed of two-dimensional (2D) graphite oxide (GO) layers embedded with vanillin as porogen and PSf as the base polymer. There is a growing interest in addressing the synergistic effect of GO and vanillin on improving the permeability and antifouling characteristics of membranes. Various spectroscopic and microscopic techniques were used to perform detailed physicoche…
Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states
2021
Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive resource scaling. The Variational Quantum Deflation (VQD) is an extension of the quantum-classical Variational Quantum Eigensolver (VQE) algorithm for calculating electronic excited state energies, and has the potential to address some of these scaling challenges using quantum computers. However, quantum computers available in the near term can only support a limited number of quantum circuit operations, so reducing the quantum computational cost in VQD methods is critical to their realisation. In…
Preparation of novel high permeability and antifouling polysulfone-vanillin membrane
2020
International audience; A novel high-performance nanofiltration membrane was fabricated by a simple and scalable route involving in situ cross-linking of hydrophilic, cheap, and environmentally friendly vanillin as antifouling agent with polysulfone (PSf) for salt rejection performance. Vanillin acts as a porogen, which induces a negative surface charge on the membrane surface due to the presence of polar functional groups like alcohol and aldehyde. The surface properties, including charge, morphology, and hydrophilicity, were investigated in detail using analytical instruments. The nanofiltration performance of the fabricated PSf-vanillin membranes was dependent on the percentage of vanill…
Dynamical Casimir-Polder force between an excited atom and a conducting wall
2016
We consider the dynamical atom-surface Casimir-Polder force in the non-equilibrium configuration of an atom near a perfectly conducting wall, initially prepared in an excited state with the field in its vacuum state. We evaluate the time-dependent Casimir-Polder force on the atom, and find that it shows an oscillatory behavior from attractive to repulsive both in time and in space. We also investigate the asymptotic behavior in time of the dynamical force and of related local field quantities, showing that the static value of the force, as obtained by a time-independent approach, is recovered for times much larger than the timescale of the atomic self-dressing, but smaller than the atomic d…