An easily-assembled Soxhlet extractor to demonstrate continuous extraction

The authors thank the Engineering and Physical Sciences Research Council, University of St Andrews, and the CRITICAT Centre for Doctoral Training for financial support [Grant EP/L016419/1].The construction of a Soxhlet extractor from readily available laboratory equipment is described. The apparatus can be used to demonstrate the concept of continuous extraction and was used in the isolation of trimyristin from nutmeg.PostprintPeer reviewe

A simplified extractive metallurgy exercise to demonstrate selective extraction of copper

A laboratory activity is described for senior high school or 1st year undergraduate level students that illustrates key concepts linked to extractive metallurgy. This experiment demonstrates preferential binding of a methoxyphenolic oxime ligand to Cu2+ in the presence of other transition metal ions in aqueous solution. The students are tasked to investigate the importance of the spatial relationship between the oxime and phenol group of two potential ligands by performing a series of short and simple tests. The objective is achieved by identifying which methoxyphenolic oxime ligand selectively and rapidly forms an isolable precipitate with Cu2+ ions. Only one of the potential ligands exhibits a clear preference for binding to Cu2+ and this can easily be identified visually (and confirmed by UV-visible spectroscopy if desired). The experiment has successfully been employed as part of an extracurricular laboratory course involving groups of 25-30 high school students.PostprintPeer reviewe

Simple and inexpensive method for the detection of carbon monoxide released from thermal cheletropic decarbonylation reactions

This work presents a simple protocol that demonstrates the use of an inexpensive household carbon monoxide detector as a useful tool to detect the release of carbon monoxide gas from thermal cheletropic decarbonylation reactions. The carbon monoxide detection method described has been employed in a short series of reactions used in a university teaching laboratory setting, and full procedures for these are outlined. In each case, the procedure to isolate and identify the decarbonylation products has also been provided.PostprintPeer reviewe

The excited states of azulene; a study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states

A new vacuum ultraviolet absorption spectrum of azulene vapour has been obtained by using a synchrotron radiation source.The onset of the ultraviolet spectrum, previously reported by Sidman et al has been analysed in detail by Franck-Condon (FC) and Herzberg-Teller (HT) methods. The PES profile identifies the 3px-Rydberg state 00 band as 131 cm-1 from the VUV maximum. Excited state energy levels were calculated by three independent methods: the wide scan VUV spectrum was correlated with symmetry adapted cluster configuration interaction (SAC-CI) calculations. The low energy portion of the spectrum was studied by both time dependent density functional theoretical methods (TDDFT) and multi-reference multi-root CI (MRD-CI). Equilibrium structures were determined for valence states at the TDDFT level. Rydberg states were determined by both TDDFT and MRD-CI. The FC+HT analyses were performed on the TDDFT wave-functions. The HT intensity profile is generally low in intensity, relative to the FC ones; however, HT is dominant in the second singlet state (S2, 11A1). As a result, numerous non-symmetric modes, their overtones and combination bands show considerable intensity in that band. Extremely diffuse s-, p-, d- or f-character functions enabled extrapolation to the IE1 for many Rydberg states (RS). The lowest RS based on IE2 (3b13s) lies at 4.804 eV with quantum defect 0.714. Differentiation between valence and RS is readily made using the second moments of the charge distribution.PostprintPeer reviewe

The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations

A synchrotron based vacuum ultraviolet absorption spectrum for γ-pyrone has been interpreted in terms of singlet excited electronic states, using a variety of coupled cluster, configuration interaction, and density functional calculations. The extremely weak spectral onset at 3.557 eV shows 8 vibrational peaks and following previous analyses is attributed to a forbidden 1A2 state. A contrasting broad peak with maximum at 5.381 eV has a relatively high cross-section of 30 Mb; this arises from three overlapping states, where a 1A1 state dominates over progressively weaker 1B2 and 1B1 states. After fitting the second band to a polynomial Gaussian function, and plotting the regular residuals (RR), over 20 vibrational peaks were revealed. We have had limited success in analyzing this fine structure. However, the small separation between these three states clearly shows that their vibrational satellites must overlap. Singlet valence and Rydberg state vibrational profiles were determined by configuration interaction using the CAM-B3LYP density functional. Vibrational analysis, using both Franck-Condon and Herzberg-Teller procedures showed that both procedures contributed to the profiles. Theoretical Rydberg states were evaluated by a highly focused CI procedure. Super-position of the lowest photoelectron spectral band on the VUV spectrum near 6.4 eV, shows that the 3s and 3p Rydberg states based on the 2B2 ionic state are present; those based on the other low-lying ionic state (X2B1) are destroyed by broadening; this is a dramatic extension of the broadening previously witnessed in our studies of halogenobenzenes.Peer reviewe

Rječnik hrvatskoga ili srpskoga jezika dovršen

Simple protocols have been devised for peroxyoxalate chemiluminescence demonstrations that use urea–hydrogen peroxide or sodium percarbonate as oxidants in place of aqueous solutions of hydrogen peroxide. The procedures described are compatible with well-known peroxyoxalates and fluorescers and have been found to be convenient for use for outreach activities in venues with limited laboratory facilities.PostprintPeer reviewe

Identification of GSK3186899/DDD853651 as a Preclinical Development Candidate for the Treatment of Visceral Leishmaniasis

The leishmaniases are diseases that affect millions of people across the world, in particular visceral leishmaniasis (VL) which is fatal unless treated. Current standard of care for VL suffers from multiple issues and there is a limited pipeline of new candidate drugs. As such, there is a clear unmet medical need to identify new treatments. This paper describes the optimization of a phenotypic hit against Leishmania donovani, the major causative organism of VL. The key challenges were to balance solubility and metabolic stability while maintaining potency. Herein, strategies to address these shortcomings and enhance efficacy are discussed, culminating in the discovery of preclinical development candidate GSK3186899/DDD853651 (<b>1</b>) for VL

Moving in the anthropocene: global reductions in terrestrial mammalian movements

Animal movement is fundamental for ecosystem functioning and species survival, yet the effects of the anthropogenic footprint on animal movements have not been estimated across species. Using a unique GPS-tracking database of 803 individuals across 57 species, we found that movements of mammals in areas with a comparatively high human footprint were on average one-half to one-third the extent of their movements in areas with a low human footprint. We attribute this reduction to behavioral changes of individual animals and to the exclusion of species with long-range movements from areas with higher human impact. Global loss of vagility alters a key ecological trait of animals that affects not only population persistence but also ecosystem processes such as predator-prey interactions, nutrient cycling, and disease transmission

BHPR research: qualitative1. Complex reasoning determines patients' perception of outcome following foot surgery in rheumatoid arhtritis

Background: Foot surgery is common in patients with RA but research into surgical outcomes is limited and conceptually flawed as current outcome measures lack face validity: to date no one has asked patients what is important to them. This study aimed to determine which factors are important to patients when evaluating the success of foot surgery in RA Methods: Semi structured interviews of RA patients who had undergone foot surgery were conducted and transcribed verbatim. Thematic analysis of interviews was conducted to explore issues that were important to patients. Results: 11 RA patients (9 ♂, mean age 59, dis dur = 22yrs, mean of 3 yrs post op) with mixed experiences of foot surgery were interviewed. Patients interpreted outcome in respect to a multitude of factors, frequently positive change in one aspect contrasted with negative opinions about another. Overall, four major themes emerged. Function: Functional ability & participation in valued activities were very important to patients. Walking ability was a key concern but patients interpreted levels of activity in light of other aspects of their disease, reflecting on change in functional ability more than overall level. Positive feelings of improved mobility were often moderated by negative self perception ("I mean, I still walk like a waddling duck”). Appearance: Appearance was important to almost all patients but perhaps the most complex theme of all. Physical appearance, foot shape, and footwear were closely interlinked, yet patients saw these as distinct separate concepts. Patients need to legitimize these feelings was clear and they frequently entered into a defensive repertoire ("it's not cosmetic surgery; it's something that's more important than that, you know?”). Clinician opinion: Surgeons' post operative evaluation of the procedure was very influential. The impact of this appraisal continued to affect patients' lasting impression irrespective of how the outcome compared to their initial goals ("when he'd done it ... he said that hasn't worked as good as he'd wanted to ... but the pain has gone”). Pain: Whilst pain was important to almost all patients, it appeared to be less important than the other themes. Pain was predominately raised when it influenced other themes, such as function; many still felt the need to legitimize their foot pain in order for health professionals to take it seriously ("in the end I went to my GP because it had happened a few times and I went to an orthopaedic surgeon who was quite dismissive of it, it was like what are you complaining about”). Conclusions: Patients interpret the outcome of foot surgery using a multitude of interrelated factors, particularly functional ability, appearance and surgeons' appraisal of the procedure. While pain was often noted, this appeared less important than other factors in the overall outcome of the surgery. Future research into foot surgery should incorporate the complexity of how patients determine their outcome Disclosure statement: All authors have declared no conflicts of interes