Part II: Ab Initio and NMR Investigations into the Barrier to Internal Rotation of various Oxo- and Thio- Analogues of 2-Oxo-2H-chromen-7-yl Dimethylcarbamates

A range of 2-oxo-2H-chromen-7-yl dimethylcarbamates were synthesized as described in part I of this publication, containing either an oxygen or sulphur α to the carbonyl or thiocarbonyl group of the amide moiety. Variable temperature and exchange spectroscopy NMR was performed on these compounds and the barrier to free amide rotation was calculated. Each of these compounds were also modelled ab initio and the gas phase barrier to rotation calculated. These three sets of data were compared and the influence of the α-heteroatom on rotation for amides and thioamides evaluated.Keywords: Thiocarbonyl, amide, rotational barrie

Sequence-based prediction for vaccine strain selection and identification of antigenic variability in foot-and-mouth disease virus

Identifying when past exposure to an infectious disease will protect against newly emerging strains is central to understanding the spread and the severity of epidemics, but the prediction of viral cross-protection remains an important unsolved problem. For foot-and-mouth disease virus (FMDV) research in particular, improved methods for predicting this cross-protection are critical for predicting the severity of outbreaks within endemic settings where multiple serotypes and subtypes commonly co-circulate, as well as for deciding whether appropriate vaccine(s) exist and how much they could mitigate the effects of any outbreak. To identify antigenic relationships and their predictors, we used linear mixed effects models to account for variation in pairwise cross-neutralization titres using only viral sequences and structural data. We identified those substitutions in surface-exposed structural proteins that are correlates of loss of cross-reactivity. These allowed prediction of both the best vaccine match for any single virus and the breadth of coverage of new vaccine candidates from their capsid sequences as effectively as or better than serology. Sub-sequences chosen by the model-building process all contained sites that are known epitopes on other serotypes. Furthermore, for the SAT1 serotype, for which epitopes have never previously been identified, we provide strong evidence - by controlling for phylogenetic structure - for the presence of three epitopes across a panel of viruses and quantify the relative significance of some individual residues in determining cross-neutralization. Identifying and quantifying the importance of sites that predict viral strain cross-reactivity not just for single viruses but across entire serotypes can help in the design of vaccines with better targeting and broader coverage. These techniques can be generalized to any infectious agents where cross-reactivity assays have been carried out. As the parameterization uses pre-existing datasets, this approach quickly and cheaply increases both our understanding of antigenic relationships and our power to control disease

Multi-messenger observations of a binary neutron star merger

On 2017 August 17 a binary neutron star coalescence candidate (later designated GW170817) with merger time 12:41:04 UTC was observed through gravitational waves by the Advanced LIGO and Advanced Virgo detectors. The Fermi Gamma-ray Burst Monitor independently detected a gamma-ray burst (GRB 170817A) with a time delay of ~1.7 s with respect to the merger time. From the gravitational-wave signal, the source was initially localized to a sky region of 31 deg2 at a luminosity distance of 40+8-8 Mpc and with component masses consistent with neutron stars. The component masses were later measured to be in the range 0.86 to 2.26 Mo. An extensive observing campaign was launched across the electromagnetic spectrum leading to the discovery of a bright optical transient (SSS17a, now with the IAU identification of AT 2017gfo) in NGC 4993 (at ~40 Mpc) less than 11 hours after the merger by the One- Meter, Two Hemisphere (1M2H) team using the 1 m Swope Telescope. The optical transient was independently detected by multiple teams within an hour. Subsequent observations targeted the object and its environment. Early ultraviolet observations revealed a blue transient that faded within 48 hours. Optical and infrared observations showed a redward evolution over ~10 days. Following early non-detections, X-ray and radio emission were discovered at the transient’s position ~9 and ~16 days, respectively, after the merger. Both the X-ray and radio emission likely arise from a physical process that is distinct from the one that generates the UV/optical/near-infrared emission. No ultra-high-energy gamma-rays and no neutrino candidates consistent with the source were found in follow-up searches. These observations support the hypothesis that GW170817 was produced by the merger of two neutron stars in NGC4993 followed by a short gamma-ray burst (GRB 170817A) and a kilonova/macronova powered by the radioactive decay of r-process nuclei synthesized in the ejecta

Amides of gold(I) diphosphines prepared from N-heterocyclic sources and their <i>in vitro</i> and <i>in vivo</i> screeening for anticancer activity

NatuurwetenskappeChemie & PolimeerwetenskapPlease help us populate SUNScholar with the post print version of this article. It can be e-mailed to: [email protected]

The role of environmental factors in promoting and limiting biological invasions in South Africa

CITATION: Wilson, J.R. et al. 2020. The role of environmental factors in promoting and limiting biological invasions in South Africa. In: Biological Invasions in South Africa. van Wilgen, B.W., Measey, J., Richardson, D.M., Wilson, J.R. and Zengeya, T.A. (eds.). Springer, Cham. pp. 355-385. doi:10.1007/978-3-030-32394-3_13The original publication is available at https://link.springer.com/book/10.1007/978-3-030-32394-3This chapter provides an overview of the researchers and research initiatives relevant to invasion science in South Africa over the past 130 years, profiling some of the more recent personalities, particularly those who are today regarded as international leaders in the field. A number of key points arise from this review. Since 1913, South Africa has been one of a few countries that have investigated and implemented alien plant biological control on a large scale, and is regarded as a leader in this field. South Africa was also prominent in the conceptualisation and execution of the international SCOPE project on the ecology of biological invasions in the 1980s, during which South African scientists established themselves as valuable contributors to the field. The development of invasion science benefitted from a deliberate strategy to promote multi-organisational, interdisciplinary research in the 1980s. Since 1995, the Working for Water programme has provided funding for research and a host of practical questions that required research solutions. Finally, the establishment of a national centre of excellence with a focus on biological invasions has made a considerable contribution to building human capacity in the field, resulting in advances in all aspects of invasion science—primarily in terms of biology and ecology, but also in history, sociology, economics and management. South Africa has punched well above its weight in developing the field of invasion science, possibly because of the remarkable biodiversity that provided a rich template on which to carry out research, and a small, well-connected research community that was encouraged to operate in a collaborative manner.https://link.springer.com/chapter/10.1007%2F978-3-030-32394-3_13Publisher’s versio