Static and dynamic modifications to photon absorption:The effects of surrounding chromophores

This Letter investigates the influence, on the molecular absorption of light, of surrounding chromophores. Two novel rate contributions are identified - one vanishing for a medium with no static dipole moment. The other, dynamic term is used to model a system of primary absorbers and secondary chromophores distributed in a host medium. Further modification provides a basis for modelling a case where the medium is, itself, marginally absorptive, thus accounting for optical losses as the input propagates through the surrounding host. The results facilitate tailoring of secondary chromophore and host effects in the pursuit of materials with specific absorption features

Street Mobility Project: Introduction

This document is an introduction to the toolkit that contains a number of tools that we have developed for local government and local communities to measure community severance in their area

Droughts and the ecological future of tropical savanna vegetation

1. Climate change is expected to lead to more frequent, intense and longer droughts in the future, with major implications for ecosystem processes and human livelihoods. The impacts of such droughts are already evident, with vegetation dieback reported from a range of ecosystems, including savannas, in recent years. 2. Most of our insights into the mechanisms governing vegetation drought responses have come from forests and temperate grasslands, while responses of savannas have received less attention. Because the two life forms that dominate savannas—C3 trees and C4 grasses—respond differently to the same environmental controls, savanna responses to droughts can differ from those of forests and grasslands. 3. Drought‐driven mortality of savanna vegetation is not readily predicted by just plant drought‐tolerance traits alone, but is the net outcome of multiple factors, including drought‐avoidance strategies, landscape and neighborhood context, and impacts of past and current stressors including fire, herbivory and inter‐life form competition. 4. Many savannas currently appear to have the capacity to recover from moderate to severe short‐term droughts, although recovery times can be substantial. Factors facilitating recovery include the resprouting ability of vegetation, enhanced flowering and seeding and post‐drought amelioration of herbivory and fire. Future increases in drought severity, length and frequency can interrupt recovery trajectories and lead to compositional shifts, and thus pose substantial threats, particularly to arid and semi‐arid savannas. 5. Synthesis. Our understanding of, and ability to predict, savanna drought responses is currently limited by availability of relevant data, and there is an urgent need for campaigns quantifying drought‐survival traits across diverse savannas. Importantly, these campaigns must move beyond reliance on a limited set of plant functional traits to identifying suites of physiological, morphological, anatomical and structural traits or “syndromes” that encapsulate both avoidance and tolerance strategies. There is also a critical need for a global network of long‐term savanna monitoring sites as these can provide key insights into factors influencing both resistance and resilience of different savannas to droughts. Such efforts, coupled with site‐specific rainfall manipulation experiments that characterize plant trait–drought response relationships, and modelling efforts, will enable a more comprehensive understanding of savanna drought responses

High-efficiency non-thermal plasma synthesis of imine macrocycles

Macrocycles are candidates for wide-ranging applications, yet their synthesis can be low-yielding, poorly reproducible, and resource-intensive, limiting their use. Here, we explore the use of Non-Thermal Plasma (NTP) as an efficient method for the synthesis of imine macrocycles at the gram scale. NTP-mediated macrocyclisations consistently achieved high yields of up to 97% in reduced reaction times compared to the standard non-plasma method, and were successfully carried out with a range of different aldehyde substrates. Control experiments were performed to explore the origin of the observed improvements. The results indicate that NTP methods could be advantageous for macrocycle synthesis, particularly for substrates that are sensitive to elevated temperature, and other materials formed via imine condensation

Ab-Initio Calculation of Molecular Aggregation Effects: a Coumarin-343 Case Study

We present time-dependent density functional theory (TDDFT) calculations for single and dimerized Coumarin-343 molecules in order to investigate the quantum mechanical effects of chromophore aggregation in extended systems designed to function as a new generation of sensors and light-harvesting devices. Using the single-chromophore results, we describe the construction of effective Hamiltonians to predict the excitonic properties of aggregate systems. We compare the electronic coupling properties predicted by such effective Hamiltonians to those obtained from TDDFT calculations of dimers, and to the coupling predicted by the transition density cube (TDC) method. We determine the accuracy of the dipole-dipole approximation and TDC with respect to the separation distance and orientation of the dimers. In particular, we investigate the effects of including Coulomb coupling terms ignored in the typical tight-binding effective Hamiltonian. We also examine effects of orbital relaxation which cannot be captured by either of these models

Financial correlations at ultra-high frequency: theoretical models and empirical estimation

A detailed analysis of correlation between stock returns at high frequency is compared with simple models of random walks. We focus in particular on the dependence of correlations on time scales - the so-called Epps effect. This provides a characterization of stochastic models of stock price returns which is appropriate at very high frequency.Comment: 22 pages, 8 figures, 1 table, version to appear in EPJ

Street Mobility Project: Toolkit

This toolkit provides a set of tools that can be used by practitioners, local communities, and others, to assess and value the costs of the 'barrier effect' of roads, also known as 'community severance'

Developing a suite of tools to measure community severance

There is a lack of tools to identify and measure community severance caused by large roads and motorized traffic, despite evidence of the negative impacts on local communities. We report the development of a suite of tools to measure community severance, undertaken for the Street Mobility and Network Accessibility research project. New tools include participatory mapping, a health and neighborhood mobility survey, and a valuation tool (based on stated preference survey findings), used alongside spatial analysis, video surveys, and street audits. They were tested around Finchley Road, a busy arterial road in North London. The study found that despite having a high walking potential, Finchley Road is unpleasant for pedestrians due to high traffic levels, associated air and noise pollution, and poor quality of pedestrian crossing facilities. These have negative impacts on the overall walking quality, mobility and accessibility by local residents. Analysis shows coherence between findings from the different measurement tools applied individually and also reveals interconnections between factors which contribute to severance, demonstrating overall reliability of the suite of tools for assessing community severance in urban areas