Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students

The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox from which students select appropriate components. At the core of these are the computational spectroscopic tools, whereby a measured spectrum can be interpreted in some detail using theoretical simulations. These include a range of modern chiroptical methods to accompany the increased use of such techniques in modern teaching laboratories. Computational experiments are captured in a Wiki-based electronic laboratory notebook, which features data-stamping, authenticated entries, and inclusion of semantically intact data via interactive models rendered within the Wiki using JSmol and its referencing via a digital object identifier (DOI) to a digital data repository

Life in a warm deep sea: routine activity and burst swimming performance of the shrimp Acanthephyra eximia in the abyssal Mediterranean

Measurements of routine swimming speed, "tail-flip'' escape responses, and oxygen consumptions were made of the deep-sea shrimp Acanthephyra eximia using autonomous landers in the Rhodos Basin at depths of up to 4,400 m and temperatures of 13 - 14.5 degrees C. Routine swimming speeds at 4,200 m averaged 0.18 m s(-1) or 3.09 body lengths s(-1), approximately double those of functionally similar oceanic scavengers. During escape responses peak accelerations of 23 m s(-2) or 630.6 body lengths s(-2) were recorded, with animals reaching speeds of 1.61 m s(-1) or 34.8 body lengths s(-2). When compared to shallow-water decapods at similar temperatures these values are low for a lightly calcified shrimp such as A. eximia despite a maximum muscle mass specific power output of 90.0 W kg(-1). A preliminary oxygen consumption measurement indicated similar rates to those of oceanic crustacean scavengers and shallower-living Mediterranean crustaceans once size and temperature had been taken into account. These animals appear to have high routine swimming speeds but low burst muscle performances. This suite of traits can be accounted for by high competition for limited resources in the eastern Mediterranean, but low selective pressure for burst swimming due to reductions in predator pressure

Spectroscopic investigation of quantum confinement effects in ion implanted silicon-on-sapphire films

Crystalline Silicon-on-Sapphire (SOS) films were implanted with boron (B$^+$) and phosphorous (P$^+$) ions. Different samples, prepared by varying the ion dose in the range $10^{14}$ to 5 x $10^{15}$ and ion energy in the range 150-350 keV, were investigated by the Raman spectroscopy, photoluminescence (PL) spectroscopy and glancing angle x-ray diffraction (GAXRD). The Raman results from dose dependent B$^+$ implanted samples show red-shifted and asymmetrically broadened Raman line-shape for B$^+$ dose greater than $10^{14}$ ions cm$^{-2}$. The asymmetry and red shift in the Raman line-shape is explained in terms of quantum confinement of phonons in silicon nanostructures formed as a result of ion implantation. PL spectra shows size dependent visible luminescence at $\sim$ 1.9 eV at room temperature, which confirms the presence of silicon nanostructures. Raman studies on P$^+$ implanted samples were also done as a function of ion energy. The Raman results show an amorphous top SOS surface for sample implanted with 150 keV P$^+$ ions of dose 5 x $10^{15}$ ions cm$^{-2}$. The nanostructures are formed when the P$^+$ energy is increased to 350 keV by keeping the ion dose fixed. The GAXRD results show consistency with the Raman results.Comment: 9 Pages, 6 Figures and 1 Table, \LaTex format To appear in SILICON(SPRINGER

Fracture Propagation Driven by Fluid Outflow from a Low-permeability Aquifer

Deep saline aquifers are promising geological reservoirs for CO2 sequestration if they do not leak. The absence of leakage is provided by the caprock integrity. However, CO2 injection operations may change the geomechanical stresses and cause fracturing of the caprock. We present a model for the propagation of a fracture in the caprock driven by the outflow of fluid from a low-permeability aquifer. We show that to describe the fracture propagation, it is necessary to solve the pressure diffusion problem in the aquifer. We solve the problem numerically for the two-dimensional domain and show that, after a relatively short time, the solution is close to that of one-dimensional problem, which can be solved analytically. We use the relations derived in the hydraulic fracture literature to relate the the width of the fracture to its length and the flux into it, which allows us to obtain an analytical expression for the fracture length as a function of time. Using these results we predict the propagation of a hypothetical fracture at the In Salah CO2 injection site to be as fast as a typical hydraulic fracture. We also show that the hydrostatic and geostatic effects cause the increase of the driving force for the fracture propagation and, therefore, our solution serves as an estimate from below. Numerical estimates show that if a fracture appears, it is likely that it will become a pathway for CO2 leakage.Comment: 21 page

Echinoderms have bilateral tendencies

Echinoderms take many forms of symmetry. Pentameral symmetry is the major form and the other forms are derived from it. However, the ancestors of echinoderms, which originated from Cambrian period, were believed to be bilaterians. Echinoderm larvae are bilateral during their early development. During embryonic development of starfish and sea urchins, the position and the developmental sequence of each arm are fixed, implying an auxological anterior/posterior axis. Starfish also possess the Hox gene cluster, which controls symmetrical development. Overall, echinoderms are thought to have a bilateral developmental mechanism and process. In this article, we focused on adult starfish behaviors to corroborate its bilateral tendency. We weighed their central disk and each arm to measure the position of the center of gravity. We then studied their turning-over behavior, crawling behavior and fleeing behavior statistically to obtain the center of frequency of each behavior. By joining the center of gravity and each center of frequency, we obtained three behavioral symmetric planes. These behavioral bilateral tendencies might be related to the A/P axis during the embryonic development of the starfish. It is very likely that the adult starfish is, to some extent, bilaterian because it displays some bilateral propensity and has a definite behavioral symmetric plane. The remainder of bilateral symmetry may have benefited echinoderms during their evolution from the Cambrian period to the present

Universal versus selective ultrasonography to screen for large for gestational age infants and associated morbidity

Objective To compare the diagnostic effectiveness of selective versus universal ultrasonography as a screening test for large for gestational age (LGA) infants, and to determine whether previously described ultrasonic markers of excessive fetal growth could identify which suspected LGA fetuses were at increased risk of neonatal morbidity. Methods We analysed data from a prospective cohort study of nulliparous women, the Pregnancy Outcome Prediction study. All women had clinically indicated scans as per routine care. Additionally, all women had blinded ultrasonic estimated fetal weight (EFW) performed at around 36 weeks of gestational age (wkGA). Screen positive for LGA was defined as an EFW >90th percentile ≥34wkGA. Results The current analysis included 3,866 eligible women. Of these, 177 (5%) infants had a birth weight >90th percentile. 1,354 (35%) women had a clinically indicated ultrasonography ≥34wkGA. The sensitivity of selective ultrasonography was 27% and the sensitivity of universal ultrasonography was 38%. The specificity of both approaches was high (99% and 97%, respectively). Using universal ultrasonography, neonatal outcome differed (P for interaction) by abdominal circumference growth velocity (ACGV) for both any neonatal morbidity (P = 0.08) and severe adverse neonatal outcome (P = 0.03). LGA fetuses with increased ACGV had a relative risk (95% CI, P) of any neonatal morbidity of 2.0 (1.1-3.6, P = 0.04) and severe adverse neonatal outcome of 6.5 (2.0-21.1, P = 0.01), whereas LGA fetuses with normal ACGV were not at increased risk. Conclusion Screening using universal ultrasonographic fetal biometry increases the detection of LGA infants and combined with ACGV identifies infants at increased risk of adverse neonatal outcome.The work was supported by the National Institute for Health Research (NIHR) Cambridge Comprehensive Biomedical Research Centre (Women's Health theme), and a project grant from the Stillbirth and neonatal death society (Sands). The study was also supported GE Healthcare (donation of two Voluson i ultrasound systems for this study), and by the NIHR Cambridge Clinical Research Facility, where all research visits took place

A quantitative PCR (TaqMan) assay for pathogenic Leptospira spp

BACKGROUND: Leptospirosis is an emerging infectious disease. The differential diagnosis of leptospirosis is difficult due to the varied and often "flu like" symptoms which may result in a missed or delayed diagnosis. There are over 230 known serovars in the genus Leptospira. Confirmatory serological diagnosis of leptospirosis is usually made using the microscopic agglutination test (MAT) which relies on the use of live cultures as the source of antigen, often performed using a panel of antigens representative of local serovars. Other techniques, such as the enzyme linked immunosorbent assay (ELISA) and slide agglutination test (SAT), can detect different classes of antibody but may be subject to false positive reactions and require confirmation of these results by the MAT. METHODS: The polymerase chain reaction (PCR) has been used to detect a large number of microorganisms, including those of clinical significance. The sensitivity of PCR often precludes the need for isolation and culture, thus making it ideal for the rapid detection of organisms involved in acute infections. We employed real-time (quantitative) PCR using TaqMan chemistry to detect leptospires in clinical and environmental samples. RESULTS AND CONCLUSIONS: The PCR assay can be applied to either blood or urine samples and does not rely on the isolation and culture of the organism. Capability exists for automation and high throughput testing in a clinical laboratory. It is specific for Leptospira and may discriminate pathogenic and non-pathogenic species. The limit of detection is as low as two cells

Testing the viability of measuring intraocular pressure using soundwaves from a smartphone

Abstract Early detection of increasing values of intraocular pressure (IOP) due to glaucoma can prevent severe ocular diseases and ultimately, prevent loss of vision. Currently, the need for an accurate, mobile measurement of IOP that shows no correlation to central corneal thickness is unmet within the modern healthcare practices. There is a potential to utilize soundwaves as a mobile measurement method and therefore, the relationship between IOP and the reflection coefficient of sound waves is investigated. Simulations are conducted using COMSOL Multiphysics to provide theoretical confirmation of the worthiness of the experiment. An experiment is conducted to further investigate the relationship between the internal pressure of an object and its acoustic reflection coefficient. The experiment exploits the use of hydrostatic pressure to determine internal pressure, and the reflection coefficient is measured and analyzed. An initial experiment is conducted to identify the resonant frequency of the object and the optimal frequency for maximizing reflection. The experiment shows comprehensively that there is a relationship between the internal pressure of an object and its acoustic reflection coefficient, providing a confirmation of the theory that would allow mobile measurements of IOP to be conducted with the use of a smart phone