TORSIONAL, VIBRATIONAL AND VIBRATION-TORSIONAL LEVELS IN THE S1 AND GROUND CATIONIC D0+ STATES OF PARA-FLUOROTOLUENE

The S$_{1}$ electronic state and ground state of the cation of textit{para}-fluorotoluene (textit{p}FT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy.footnote{A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, textit{J. Chem. Phys.}, textbf{145}, 124307 (2016).} Here we focus on the low wavenumber region where a number of “pure” torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group.footnote{J. R. Gascooke, E. A. Virgo, and W. D. Lawrance textit{J. Chem. Phys.}, textbf{143}, 044313 (2015).} The similarity in the activity observed in the excitation spectrum of the two molecules is striking

TORSIONAL, VIBRATIONAL AND VIBRATION-TORSIONAL LEVELS IN THE S1 AND GROUND CATIONIC D0+ STATES OF PARA-XYLENE

Insight gained from examining the “pure” torsional, vibrational and vibration-torsional (vibtor) levels of the single rotor molecules: toluene (methylbenzene)footnote{J. R. Gascooke, E. A. Virgo, and W. D. Lawrance, textit{J. Chem. Phys.}, textbf{143}, 044313 (2015).} and textit{para}-fluorotoluene (textit{p}FT),footnote{A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, textit{J. Chem. Phys.}, textbf{145}, 124307 (2016).} is applied to the double rotor textit{para}-xylene (textit{p}-dimethylbenzene) molecule .footnote{A. M. Gardner, W. D. Tuttle, P. Groner and T. G. Wright, textit{J. Chem. Phys.}, (2017, in press).} Resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy are employed in order to investigate the S$_{1}$ and ground cationic states of para-xylene. Observed transitions are assigned in the full molecular symmetry group (G$_{72}$) for the first time

Implementing a mobile diagnostic unit to increase access to imaging and laboratory services in western Kenya.

Access to basic imaging and laboratory services remains a major challenge in rural, resource-limited settings in sub-Saharan Africa. In 2016, the Academic Model Providing Access to Healthcare programme in western Kenya implemented a mobile diagnostic unit (MDU) outfitted with a generator-powered X-ray machine and basic laboratory tests to address the lack of these services at rural, low-resource, public health facilities. The objective of this paper is to describe the design, implementation, preliminary impact and operational challenges of the MDU in western Kenya. Since implementing the MDU at seven rural health facilities serving a catchment of over half a million people, over 4500 chest radiographs have been performed, with one or more abnormalities detected in approximately 30% of radiographs. We observed favorable feedback and uptake of MDU services by healthcare workers and patients. However, various operational challenges in the design and construction of the MDU and the transmission and reporting of radiographs in remote areas were encountered. Our experience supports the feasibility of deploying an MDU to increase access to basic radiology and laboratory services in rural, resource-limited settings

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p-chlorofluorobenzene

The S1 ← S0 (A ~ 1B2 ← X~ 1A1) electronic transition of para-chlorofluorobenzene has been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Assignment of the vibrational structure has been achieved by comparison with corresponding spectra of related molecules, via quantum chemical calculations, and via shifts in bands between the spectra of the 35Cl and 37Cl isotopologues. In addition, we have also partially reassigned a previously-published spectrum of para-dichlorobenzene

Unravelling overlaps and torsion-facilitated coupling using two-dimensional laser-induced fluorescence

Two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy is employed to identify contributions to fluorescence excitation spectra that arise from both overlapping bands and coupling between zero-order states (ZOSs). Evidence is found for the role of torsional motion in facilitating the coupling between vibrations that particularly involves the lowest-wavenumber out-of-plane vibrational modes. The experiments are carried out on jet-cooled p-fluorotoluene, where the molecules are initially in the lowest two torsional levels. Here we concentrate on the 390–420 cm−1 features in the S1 ← S0 excitation spectrum, assigning the features seen in the 2D-LIF spectrum, aided by separate dispersed fluorescence spectra. The 2D-LIF spectra allow the overlapping contributions to be cleanly separated, including some that arise from vibrational-torsional coupling. Various coupling routes open up because of the different symmetries of the lowest two torsional modes; these combine with the vibrational symmetry to provide new symmetry-allowed vibration-torsion (‘vibtor’) interactions, and the role of the excited m = 1 torsional level is found to be significant

The Neuroscience Information Framework: A Data and Knowledge Environment for Neuroscience

With support from the Institutes and Centers forming the NIH Blueprint for Neuroscience Research, we have designed and implemented a new initiative for integrating access to and use of Web-based neuroscience resources: the Neuroscience Information Framework. The Framework arises from the expressed need of the neuroscience community for neuroinformatic tools and resources to aid scientific inquiry, builds upon prior development of neuroinformatics by the Human Brain Project and others, and directly derives from the Society for Neuroscience’s Neuroscience Database Gateway. Partnered with the Society, its Neuroinformatics Committee, and volunteer consultant-collaborators, our multi-site consortium has developed: (1) a comprehensive, dynamic, inventory of Web-accessible neuroscience resources, (2) an extended and integrated terminology describing resources and contents, and (3) a framework accepting and aiding concept-based queries. Evolving instantiations of the Framework may be viewed at http://nif.nih.gov, http://neurogateway.org, and other sites as they come on line

Molecular symmetry group analysis of the low-wavenumber torsions and vibration-torsions in the S1 state and ground state cation of p-xylene: an investigation using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy

For the first time, a molecular symmetry group (MSG) analysis has been undertaken in the investigation of the electronic spectroscopy of p-xylene (p-dimethylbenzene). Torsional and vibration-torsional (vibtor) levels in the S1 state and ground state of the cation of p-xylene (p-dimethylbenzene) are investigated using resonance-enhanced multiphoton ionization (REMPI) and zero-kinetic-energy (ZEKE) spectroscopy. In the present work, we concentrate on the 0–350 cm 1 region, where there are a number of torsional and vibtor bands and we discuss the assignment of this region. In an accompanying paper [Tuttle et al. J. Chem. Phys. XXX, xxxxxx (2016)], we examine the 350–600 cm 1 region where vibtor levels are observed as part of a Fermi resonance. The similarity of much of the observed spectral activity to that in the related substituted benzenes, toluene and para-fluorotoluene, is striking, despite the different symmetries. The discussion necessitates a consideration of the MSG of p-xylene, which has been designated G72, but we shall also designate [3,3]D2h and we include the symmetry operations, character table and direct product table for this. We also discuss the symmetries of the internal rotor (torsional) levels and the selection rules for the particular electronic transition of p-xylene investigated here

Viral suppression among children and their caregivers living with HIV in western Kenya

INTRODUCTION: Despite the central role of caregivers in managing HIV treatment for children living with HIV, viral suppression within caregiver-child dyads in which both members are living with HIV is not well described. METHODS: We conducted a retrospective analysis of children living with HIV <15 years of age and their caregivers living with HIV attending HIV clinics affiliated with the Academic Model Providing Access to Healthcare (AMPATH) in Kenya between 2015 and 2017. To be included in the analysis, children and caregivers must have had ≥1 viral load (VL) during the study period while receiving antiretroviral therapy (ART) for ≥6 months, and the date of the caregiver's VL must have occurred ±90 days from the date of the child's VL. The characteristics of children, caregivers and dyads were descriptively summarized. Multivariable logistic regression was used to estimate the odds of viral non-suppression (≥ 1000 copies/mL) in children, adjusting for caregiver and child characteristics. RESULTS: Of 7667 children who received care at AMPATH during the study period, 1698 were linked to a caregiver living with HIV and included as caregiver-child dyads. For caregivers, 94% were mothers, median age at ART initiation 32.8 years, median CD4 count at ART initiation 164 cells/mm3 and 23% were not virally suppressed. For children, 52% were female, median age at ART initiation 4.2 years, median CD4 values at ART initiation were 15% (age < 5 years) and 396 cells/mm3 (age ≥ 5 years), and 38% were not virally suppressed. In the multivariable model, children were found more likely to not be virally suppressed if their caregivers were not suppressed compared to children with suppressed caregivers (aOR = 2.40, 95% CI: 1.86 to 3.10). Other characteristics associated with child viral non-suppression included caregiver ART regimen change prior to the VL, caregiver receipt of a non-NNRTI-based regimen at the time of the VL, younger child age at ART initiation and child tuberculosis treatment at the time of the VL. CONCLUSIONS: Children were at higher risk of viral non-suppression if their caregivers were not virally suppressed compared to children with suppressed caregivers. A child's viral suppression status should be closely monitored if his or her caregiver is not suppressed

Understanding Paramagnetic Spin Correlations in the Spin-Liquid Pyrochlore Tb2Ti2O7

Recent elastic and inelastic neutron scattering studies of the highly frustrated pyrochlore antiferromagnet Tb2Ti2O7 have shown some very intriguing features that cannot be modeled by the local classical Ising model, naively expected to describe this system at low temperatures. Using the random phase approximation to take into account fluctuations between the ground state doublet and the first excited doublet, we successfully describe the elastic neutron scattering pattern and dispersion relations in Tb2Ti2O7, semi-quantitatively consistent with experimental observations.Comment: revtex4, 4 pages, 1 Color+ 2 BW figure