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Targeted ligand design using a combined computational and experimental approach to unlock new metal separations
No full textAs societal demand for metals grows, sustainable routes to their efficient recovery from primary ores and secondary waste streams have become increasingly important. In this regard, understanding the chemical detail of metal separations is implicit to designing more efficient and environmentally benign processes. Herein, we report a combined computational and experimental approach to targeted ligand design by modification of a simple diamide (L), previously reported as a selective precipitant for Au. This afforded three new reagents through the addition of electron-donating (LOMe) and withdrawing (LCl) groups, and the inversion of the amide linkage (Linv). Computational studies confirmed the expected trends in protonation of the amide and subsequent metal uptake experiments showed all ligands act as selective precipitants for Au at low acid concentrations in the presence of an excess of ligand. Significantly however, the use of stoichiometric amounts of LOMe and LCl resulted in a switch in selectivity from square-planar (AuCl4-) to tetrahedral metalates (GaCl4- and FeCl4-), with precipitation suppressed for Linv. Computational modelling rationalised this reversal in metalate selectivity with LOMe and LCl on thermodynamic grounds, while Hirshfeld surfaces, NCI plots and QTAIM analyses highlighted halogen bonding as the most important structure directing interaction. Importantly, preliminary studies with LOMe suggested a viable pathway to the separation of Ga and Fe from industrially generated waste streams, which could be exploited in the recycling of zinc residues and end-of-life GaN light-emitting diodes
Changing the flow profile and resulting drying pattern of dispersion droplets via contact angle modification
No full textSpilling tea or coffee leads to a tell-tale circular stain after the droplet dries, known as the “coffee ring effect”. The
evaporation of suspension droplets is a complex physical process, and predicting and controlling the particle deposit
patterns from sessile droplet evaporation are essential for many industrial processes, such as ink-jet printing and crop-care
applications. In this article, we systematically investigate the effect of surface wettability on the evaporation dynamics
of a particle-laden droplet, focussing on the contact line stick-slip behaviour, the hydrodynamic flow of the suspended
particles, and the resulting particle deposit after evaporation. We use substrates with different wettabilities, ranging from
hydrophilic to hydrophobic, and quantify the internal flow during the evaporation by tracking (fluorescent) tracer particles.
We find that the internal flow shifts from a predominantly outward flow towards the contact line for low contact angles to
an inward flow for large contact angles. Correspondingly, the particle deposit transitions from the typical coffee-ring
pattern to a central stain as the substrate’s hydrophobicity increases. Finally, we corroborate these experimental findings
with dynamic density functional theory, modelling the droplet evaporation process and stick-slip behaviour of the contact
line. Our investigation suggests that the wettability of the substrate can significantly alter hydrodynamic flow within
drying droplets, thereby affecting the resulting particle deposit.Dataset corresponding to arXiv pre-print of: "Changing the flow profile and resulting drying pattern of dispersion droplets via
contact angle modification"
Genotypes of Ugandan dairy cattle samples
No full textThese files contain the genotypes of 192 dairy cattle samples from Uganda, covering 162 crossbred animals sampled from the Central region of the country and 10 animals from three of the most common local breeds/populations in the country: Ankole (Kiruhura district), Ugandan Zebu (Soroti district) and Nganda (Masaka district).
Genotypes are presented in PLINK binary format for 777,962 SNPs across 32 chromosomes obtained from the Illumina HD Bovine chip. Genotype calls are in the Top strand notation for Illumina. Map assembly is UMD3.1
These genotypes were obtained as part of a study under review in Frontiers in Genomic
Berlin (East)
No full textBerlin in the 1980s was in a state of suspension, with the physical trappings of the Cold War still omnipresent but subtly in decay. This collection of images, mostly dating from 1982, gives a vivid snapshot of the city’s multi-liminal character in those years, focusing mainly on the everyday trappings of division, including not only well-known setpieces of ‘The Wall’, such as Potsdamer Platz or Bernauer Strasse, but also lesser-known quirks such as border-straddling transport infrastructure (such as the extraordinary Wollankstrasse S-Bahn station, accessible only through a ‘hole in the wall’, as well as the better-known Friedrichstrasse) or anomalies such as the Steinstücken ‘exclave’. More generally, the S-Bahn network within West Berlin, latterly a quasi-extra-territorial DDR operation widely boycotted by West Berliners, is documented in its final state of truncation and rampant decay, seen most spectacularly in the images of the wildly overgrown Gesundbrunnen station – together with an early 21st-century image (from exactly the same viewpoint) of the latter’s rebuilt state as a bustling, modern national transportation hub. These historic photographs, which are made available in partnership with DOCOMOMO-International - the global network for documentation and conservation of the modern movement - are available as an open-access library of images, free of copyright restrictions. These files, which are divided into West Berlin and East Berlin sites, may be copied, edited and shared on condition that the appropriate citation is used, as per the terms of the attached Creative Commons Attribution licence
Ferrara – 2025 images
No full text### DOCOMOMO INTERNATIONAL MASS HOUSING ARCHIVE ### The provision of healthy modern housing for all was one of the foremost ideals of the Modern Movement, and inspired a vast wave of planning and building across the world during the 20th century. In the last quarter of the century, even as the foundational programmes of Europe and America lost their impetus, the baton was passed on to other countries, especially in eastern Asia, where the narrative of Modern mass housing was reinvigorated for the next century - a unique example of a key Modernist project that actually continues and thrives today, and which thus forms a principal focus of interest for DOCOMOMO – the leading international organisation promoting the documentation and conservation of buildings, sites and neighbourhoods of the Modern Movement. As heritage, the built legacies of this diverse and multi-generational adventure are almost always too controversial to qualify for conservation strategies. Instead, therefore, recording and inventorisation must dominate the heritage interest in this field. In the recognition of that fact, DOCOMOMO’s International Specialist Committee on Urbanism and Landscape, in partnership with the Scottish Centre for Conservation Studies at the University of Edinburgh, has launched the International Mass Housing Archive, whose aim is to provide an open-access library of images of significant housing projects in each working-group territory, free of copyright restrictions. These files may be copied, edited and shared on condition the appropriate citation is used, as per the terms of the attached Creative Commons Attribution licence. ### Structure ### The International Mass Housing Archive is subdivided under geographical headings corresponding to the constituent working groups of DOCOMOMO, and the individual housing projects are searchable under city and project name. Initially, the Image Archive will be managed and augmented centrally by DOCOMOMO and the SCCS, in partnership with University of Edinburgh Information Services, commencing with pilot city surveys sourced from our own photographic records in the first instance. The archive is related to several existing mass housing documentation initiatives. These include one concerning Britain, namely the online version of the 1994 book, Tower Block: http://towerblock.org/TowerBlock.pd
Outcome Tables
No full textObjective assessment and monitoring of physical performance in soccer players are mandated features of practice in English soccer academies. Based on these approaches, our interest was to investigate and compare the longitudinal physical performance profiles of those players that had eventually been successful and unsuccessful at the two highest levels, becoming male professional English Premier League and Championship level soccer players. The specific research objective was to investigate the between player variability and predictive validity of physical assessment measures against eventual playing outcome. A total of 297 male youth participants (born between 1999 to 2006) affiliated to three category one academies were tracked for eight years across six objective physical tests. Data were analysed by a series of mixed method ANOVAs, comparing outcome with age. Canonical Discriminant Function Coefficients and the TRIPOD Statement were applied for transparent reporting of prediction efficacy. Results suggest that physical characteristics offer little or no discriminatory power. We conclude by offering guidance for academies’ interpretation and usage of physical data
High Resolution sections of eMouseAtlas Models: EMA8, Theiler Stage 8 (6.0 — 6.25 dpc)
No full textHigh resolution images of each section used for the Mouse Atlas 3D models. Images are sub-sampled for the 3D models to provide approximately iso-tropic voxel dimensions, here the images are at the full resolution of the original digitisation
High Resolution sections of eMouseAtlas Models: EMA80, Theiler Stage 23 TS23(14.5 dpc)
No full textHigh resolution images of each section used for the Mouse Atlas 3D models. Images are sub-sampled for the 3D models to provide approximately iso-tropic voxel dimensions, here the images are at the full resolution of the original digitisation
High Resolution sections of eMouseAtlas Models: EMA7, Theiler Stage 7 (5.5-5.75dpc)
No full textHigh resolution images of each section used for the Mouse Atlas 3D models. Images are sub-sampled for the 3D models to provide approximately iso-tropic voxel dimensions, here the images are at the full resolution of the original digitisation
Videos of eMouseAtlas Models: Theiler Stage 9 (6.25-7.25 dpc)
No full textA number of videos for each of the eMouseAtlas 3D mouse embryo models to show the overall form and in some cases selected anatomy. Each video is identified by the unique EMA ID with annotation if required. The videos labelled as "watermovies" are captured using the OPT system with the embryo spun on a longitudinal axis with no tissue clearing