Dissimilarity-based algorithms for selecting structurally diverse sets of compounds

This paper commences with a brief introduction to modern techniques for the computational analysis of molecular diversity and the design of combinatorial libraries. It then reviews dissimilarity-based algorithms for the selection of structurally diverse sets of compounds in chemical databases. Procedures are described for selecting a diverse subset of an entire database, and for selecting diverse combinatorial libraries using both reagent-based and product-based selection

Gas Chromatography Results Interpretation: Absolute Amounts Versus Relative Percentages

Geneeskunde en GesondheidswetenskappeChemiese PatologiePlease help us populate SUNScholar with the post print version of this article. It can be e-mailed to: [email protected]

Influence of weed control methods, poultry manure and planting pattern on growth and yield attributes of maize (Zea mays l.) in the northern Guinea Savannah zone of Nigeria

Field trials were conducted during the rainy seasons (2012 and 2013) at the  Research Farm of Institute for Agricultural Research, Samaru Zaria and College of Agriculture and Animal Science, Mando Kaduna, in the Northern Guinea Savannah Zone of Nigeria, to determine the Influence of weed control methods, poultry manure and planting pattern on the performance of maize (Zea mays L.). The treatments consisted of six levels of weed control (S-metolachlor + atrazine at 1.98 and 2.64 kg a.i/ha, butachlor at 1.5 and 2.5 kg a.i/ha, hoe weeding at 3 and 6 weeks after sowing (WAS) and a weedy check), three levels of poultry manure (0, 4 and 8 t/ha) and two planting pattern (single and double row per ridge). The treatments were laid out in spit-plot design replicated three times. Weed control and poultry manure were assigned to the main plots, while planting pattern was assigned in the sub-plots. Results from the study showed that application of S-metolachlor + atrazine at 2.64 kg a.i/ha, butachlor at 2.5 kg a.i/ha and hoe weeding at 3 and 6 WAS produced taller maize plants, increase in relative growth rate and higher grain yield. However, application of poultry manure at 8t/ha gave the tallest maize plants, increase in relative growth rate and higher total grain yield, while double planting pattern (double row per ridge) suppressed weed population and ensured better crop performance and higher grain yield compared to the single planting pattern (single row per ridge).Key words: weed control, planting pattern, poultry manur

High speed synchrotron X-ray imaging studies of the ultrasound shockwave and enhanced flow during metal solidification processes

The highly dynamic behaviour of ultrasonic bubble implosion in liquid metal, the multiphase liquid metal flow containing bubbles and particles, and the interaction between ultrasonic waves and semisolid phases during solidification of metal were studied in situ using the complementary ultrafast and high speed synchrotron X-ray imaging facilities housed respectively at the Advanced Photon Source, Argonne National Laboratory, US, and Diamond Light Source, UK. Real-time ultrafast X-ray imaging of 135,780 frames per second (fps) revealed that ultrasonic bubble implosion in a liquid Bi-8 wt. %Zn alloy can occur in a single wave period (30 kHz), and the effective region affected by the shockwave at implosion was 3.5 times the original bubble diameter. Furthermore, ultrasound bubbles in liquid metal move faster than the primary particles, and the velocity of bubbles is 70 ~ 100% higher than that of the primary particles present in the same locations close to the sonotrode. Ultrasound waves can very effectively create a strong swirling flow in a semisolid melt in less than one second. The energetic flow can detach solid particles from the liquid-solid interface and redistribute them back into the bulk liquid very effectively

Observation of the gamma-ray binary HESS J0632+057 with the HESS, MAGIC, and VERITAS telescopes

The results of gamma-ray observations of the binary system HESS J0632 + 057 collected during 450 hr over 15 yr, between 2004 and 2019, are presented. Data taken with the atmospheric Cherenkov telescopes H.E.S.S., MAGIC, and VERITAS at energies above 350 GeV were used together with observations at X-ray energies obtained with Swift-XRT, Chandra, XMM-Newton, NuSTAR, and Suzaku. Some of these observations were accompanied by measurements of the Hα emission line. A significant detection of the modulation of the very high-energy gamma-ray fluxes with a period of 316.7 ± 4.4 days is reported, consistent with the period of 317.3 ± 0.7 days obtained with a refined analysis of X-ray data. The analysis of data from four orbital cycles with dense observational coverage reveals short-timescale variability, with flux-decay timescales of less than 20 days at very high energies. Flux variations observed over a timescale of several years indicate orbit-to-orbit variability. The analysis confirms the previously reported correlation of X-ray and gamma-ray emission from the system at very high significance, but cannot find any correlation of optical Hα parameters with fluxes at X-ray or gamma-ray energies in simultaneous observations. The key finding is that the emission of HESS J0632 + 057 in the X-ray and gamma-ray energy bands is highly variable on different timescales. The ratio of gamma-ray to X-ray flux shows the equality or even dominance of the gamma-ray energy range. This wealth of new data is interpreted taking into account the insufficient knowledge of the ephemeris of the system, and discussed in the context of results reported on other gamma-ray binary systems.C. B. Adams, W. Benbow, A. Brill, J. H. Buckley, M. Capasso, A. J. Chromey ... et al

Differences in the pattern and regulation of mineral deposition in human cell lines of osteogenic and non-osteogenic origin

Bone marrow-derived mesenchymal stem cells (MSCs) are widely used as a cellular model of bone formation, and can mineralize in vitro in response to osteogenic medium (OM). It is unclear, however, whether this property is specific to cells of mesenchymal origin. We analysed the OM response in 3 non-osteogenic lines, HEK293, HeLa and NTera, compared to MSCs. Whereas HEK293 cells failed to respond to OM conditions, the 2 carcinoma-derived lines NTera and HeLa deposited a calcium phosphate mineral comparable to that present in MSC cultures. However, unlike MSCs, HeLa and NTera cultures did so in the absence of dexamethasone. This discrepancy was confirmed, as bone morphogenetic protein inhibition obliterated the OM response in MSCs but not in HeLa or NTera, indicating that these 2 models can deposit mineral through a mechanism independent of established dexamethasone or bone morphogenetic protein signalling