Isolation and characterisation of 2-Tert-butyl-8-hydroxyquinoline as a crystalline solid and its blue fluorescent Li complex

Copyright © 2014 Poopathy Kathirgamanathan et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.2-Tert-butyl-8-hydroxyquinoline (2-TB-8-hq) has been isolated as a crystalline solid and its X-ray structure elucidated, resolving three decades of controversy, since it was previously wrongly reported as yellow oil by some other workers. An improved synthetic method has been developed which increases the yield from 20% to 60%. The lithium complex of 2-TB-8-hq is blue emitting and the HOMO and LUMO levels are lowered by 0.86 eV and 0.74 eV, respectively, compared with the parent lithium 8-hydroxyquinolinolate (Li 8-hq)

Development of a Soft Actor Critic Deep Reinforcement Learning Approach for Harnessing Energy Flexibility in a Large Office Building

This research is concerned with the novel application and investigation of `Soft Actor Critic' (SAC) based Deep Reinforcement Learning (DRL) to control the cooling setpoint (and hence cooling loads) of a large commercial building to harness energy flexibility. The research is motivated by the challenge associated with the development and application of conventional model-based control approaches at scale to the wider building stock. SAC is a model-free DRL technique that is able to handle continuous action spaces and which has seen limited application to real-life or high-fidelity simulation implementations in the context of automated and intelligent control of building energy systems. Such control techniques are seen as one possible solution to supporting the operation of a smart, sustainable and future electrical grid. This research tests the suitability of the SAC DRL technique through training and deployment of the agent on an EnergyPlus based environment of the office building. The SAC DRL was found to learn an optimal control policy that was able to minimise energy costs by 9.7% compared to the default rule-based control (RBC) scheme and was able to improve or maintain thermal comfort limits over a test period of one week. The algorithm was shown to be robust to the different hyperparameters and this optimal control policy was learnt through the use of a minimal state space consisting of readily available variables. The robustness of the algorithm was tested through investigation of the speed of learning and ability to deploy to different seasons and climates. It was found that the SAC DRL requires minimal training sample points and outperforms the RBC after three months of operation and also without disruption to thermal comfort during this period. The agent is transferable to other climates and seasons although further retraining or hyperparameter tuning is recommended.Comment: submitted to Energy and A

Large area quantitative analysis of nanostructured thin-films

Proposed and verified method offers an unique quantitative large scale nanostructures' evaluation.This is the accepted manuscript. The final version is available at http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/c4ra16018e#!divAbstract

Quantum Confinement

Quantum confinement is the spatial confinement of electron–hole pairs (excitons) in one or more dimensions within a material, and also electronic energy levels are discrete. It is due to the confinement of the electronic wave function to the physical dimensions of the particles. In this effect can be divided into three ways, 1D confinement (free carrier in a plane), quantum wells; 2D confinement (carriers are free to move down), quantum wire; and 3D confinement (carriers are confined in all directions), which are discussed in details. In addition the formation mechanism of exciton and quantum confinement behavior of strong, moderate, and weak confinement have been discussed below.MHRD-SPARC (ID: 890/2019) & UKIERI by the Governments of India and UK

[89Zr]Oxinate4 for long-term in vivo cell tracking by positron emission tomography

Purpose 111In (typically as [111In]oxinate3) is a gold standard radiolabel for cell tracking in humans by scintigraphy. A long half-life positron-emitting radiolabel to serve the same purpose using positron emission tomography (PET) has long been sought. We aimed to develop an 89Zr PET tracer for cell labelling and compare it with [111In]oxinate3 single photon emission computed tomography (SPECT). Methods [89Zr]Oxinate4 was synthesised and its uptake and efflux were measured in vitro in three cell lines and in human leukocytes. The in vivo biodistribution of eGFP-5T33 murine myeloma cells labelled using [89Zr]oxinate4 or [111In]oxinate3 was monitored for up to 14 days. 89Zr retention by living radiolabelled eGFP-positive cells in vivo was monitored by FACS sorting of liver, spleen and bone marrow cells followed by gamma counting. Results Zr labelling was effective in all cell types with yields comparable with 111In labelling. Retention of 89Zr in cells in vitro after 24 h was significantly better (range 71 to >90 %) than 111In (43–52 %). eGFP-5T33 cells in vivo showed the same early biodistribution whether labelled with 111In or 89Zr (initial pulmonary accumulation followed by migration to liver, spleen and bone marrow), but later translocation of radioactivity to kidneys was much greater for 111In. In liver, spleen and bone marrow at least 92 % of 89Zr remained associated with eGFP-positive cells after 7 days in vivo. Conclusion [89Zr]Oxinate4 offers a potential solution to the emerging need for a long half-life PET tracer for cell tracking in vivo and deserves further evaluation of its effects on survival and behaviour of different cell types

Kinetic and DFT Studies on the Mechanism of C−S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster

Reaction of [Mo3(μ3-S)(μ-S)3] clusters with alkynes usually leads to formation of two C−S bonds between the alkyne and two of the bridging sulfides. The resulting compounds contain a bridging alkenedithiolate ligand, and the metal centers appear to play a passive role despite reactions at those sites being well illustrated for this kind of cluster. A detailed study including kinetic measurements and DFT calculations has been carried out to understand the mechanism of reaction of the [Mo3(μ3-S)(μ-S)3(H2O)9]4+ (1) cluster with two different alkynes, 2-butyne-1,4-diol and acetylenedicarboxylic acid. Stoppedflow experiments indicate that the reaction involves the appearance in a single kinetic step of a band at 855 or 875 nm, depending on the alkyne used, a position typical of clusters with two C−S bonds. The effects of the concentrations of the reagents, the acidity, and the reaction medium on the rate of reaction have been analyzed. DFT and TD-DFT calculations provide information on the nature of the product formed, its electronic spectrum and the energy profile for the reaction. The structure of the transition state indicates that the alkyne approaches the cluster in a lateral way and both C−S bonds are formed simultaneously

Optimization of Pocket Design for extrusion with minimal defects

No abstrac