COMPUTATIONAL STUDIES OF CHEMICAL SYSTEMS: I. A THEORETICAL INVESTIGATION OF CLATHRATE HYDRATESII. CONFORMATIONAL POTENTIAL ENERGY SURFACE OF TRYPTAMINE

Hydrogen clathrates have recently been discovered and considered as storage medium for H2. Hydrogen forms a Type II clathrate structure, with a small and large cage. Multiple guest hydrogen molecules can occupy both cages (up to two in the small cage and four in the large cage), although the number of hydrogen molecules occupying the small cage has been a source of debate in the literature. The goal of this work has been to develop a polarizable force field for use in molecular dynamics simulations of hydrogen clathrates. The resulting force field has been coded in the DLPOLY package and simulations of the system as a function of the number of guest hydrogen molecules have been performed. The development of the force field, and the results of the simulations are discussed.In order for a clathrate structure to form, a 'guest' molecule must be present under ideal conditions. That is, water does not form a so-called 'self' hydrate. In order to elucidate the factors responsible for clathrate formation, emph{ab initio} calculations were performed on (H2O)$_{21}$ and (H2O)$_{20}$*H2S clusters. The results of these calculations have provided insight into why water does not form a self hydrate.Stimulated emission pumping experiments done by the Zwier group have established bounds on the low energy isomerization barriers between specific minima of tryptamine. In order to identify the low energy isomerization pathways, the Becke3LYP and RI-MP2 methods were used to characterize the low-energy minima and the transition states of tryptamine. In general there is good agreement between theory and experiment, but for a subset of the isomerization processes, the calculations give significantly higher barriers than deduced from experiment. Possible causes of this discrepancy are discussed

Chemotherapy-induced nausea and vomiting: A narrative review to inform dietetics practice

Chemotherapy-induced nausea and vomiting (CINV) are common nutrition-impact symptoms experienced by cancer patients. They exert a detrimental effect on dietary intake, risk of malnutrition and quality of life. While CINV are primarily managed with medication, dietitians play an important role in the management of CINV-related complications such as reduced dietary intake. This review discusses the burden of nausea and vomiting which cancer patients can experience, including its effect on quality of life, nutrition status, and treatment outcomes. Implications for dietetic practice include the need to explore the nature of reported symptoms, identify predisposing risk factors, and to consider the use of a variety of interventions that are individualised to the patient’s symptoms. There are little clinical data regarding effective dietetic interventions for nausea and vomiting. In summary, this review discusses dietetic-related issues surrounding CINV including the pathophysiology, risk factors, prevalence, and both pharmacological and dietetic treatment options

Insights and evidence gaps in girl-centered programming: A systematic review

Increased attention to the needs of adolescent girls has led to a growing number of programs in low- and middle-income countries. Questions remain, however, about what aspects of program design are most effective. This hinders efforts to effectively allocate resources, scale up programs, and replicate results across settings. This review looks at how the number of program components, involvement of supporting actors who influence the lives of girls, supplemental “booster” activities, intervention exposure level, and community saturation level influenced outcomes for girls. While findings suggest the importance of multicomponent programs and longer program exposure, each area requires further rigorous research to determine whether and under what circumstances they amplify impact

Think Before You Speak: Examining the Impact of Ageist Labels on Perceptions of Older Adults

The goal of this proposed study is to examine how the use of different labels of older adults affect our perceptions of them

On the eve of the 100th anniversary of IAU Commission 19/A2 “Rotation of the Earth”

Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG geförderten) Allianz- bzw. Nationallizenz frei zugänglich.This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively.IAU Commission 19 began in 1919 with the birth of the IAU at the Brussels Conference, where Standing Committee 19 on Latitude Variations was established as one of 32 standing committees. At the first IAU General Assembly in 1922, Standing Committee 19 became Commission 19 “Variation of Latitude”. In the beginning, the main topic of the Commission was the investigation of polar motion. Later, its activities included observations and theory of Earth rotation and connections between Earth orientation variations and geophysical phenomena. As a result, in 1964 at the XII IAU General Assembly, the Commission was renamed “Rotation of the Earth”. The investigation of Earth orientation variations is primarily based on observations of natural and artificial celestial objects. Therefore, maintenance of the international terrestrial and celestial reference frames, as well as the coordinate transformation between the frames and the improvement of the model of precession/nutation, have always been among the primary Commission topics. In 1987, the IAU through Commissions 19 and 31 “Time” established, jointly with the International Union of Geodesy and Geophysics, what is now known as the International Earth Rotation and Reference Systems Service. Commission 19 continued to work to develop methods to improve the accuracy and understanding of Earth orientation variations and related reference systems and frames as well as theoretical studies of Earth rotation. In 2015, Commission 19 was renewed as Commission A2 “Rotation of the Earth” continuing Commission 19’s functions and linking the astronomical community to other scientific organizations such as the International Association of Geodesy, International VLBI Service for Geodesy and Astrometry, International GNSS Service, International Laser Ranging Service and International DORIS Service. During its entire history, IAU Commission 19/A2 has always worked in close cooperation with these and other related services to improve the accuracy and consistency of the Earth orientation parameters and celestial and terrestrial reference frames

Community-Engaged Research on Social Capital and Older Adults’ Health: Lessons Learned

Most adults in the United States prefer to age in their own homes and communities. However, many ageing-in-place models rely on expensive external services, negatively affecting access by lower socioeconomic status (SES) and other vulnerable groups. This article documents two pilot projects conducted by a community-academic partnership that examined associations between social capital, ageing in community, and health among older adults. The first project explored the association between social capital and health across community SES levels. The second project explored one type of social capital, timebanking, and its association with health. We highlight here our lessons learned from these community-engaged research (CER) projects: (1) Our partnership needed to improve our study design and data collection by enhancing our recruitment strategies, community site partnerships, survey instrument and data matching, and research team workload allocation issues. (2) We should have validated our instruments for use with older adults who had mild cognitive and visual impairments, acknowledged how community SES differences influenced our data collection, and included more research assistant support during our community meetings. (3) We would have benefited from protocol development for recording and responding to issues raised by participants. Our projects also led us to relational insights, such as reinforcing the need to foster clear communication across team members, involving community advisory boards earlier in the CER process, seeking network input on research strategies to meet older adults’ needs, and developing plans to sustain long-term relationships. We hope these lessons learned are useful to other community-engaged researchers

A deep learning approach to downscale geostationary satellite imagery for decision support in high impact wildfires

Scarcity in wildland fire progression data as well as considerable uncertainties in forecasts demand improved methods to monitor fire spread in real time. However, there exists at present no scalable solution to acquire consistent information about active forest fires that is both spatially and temporally explicit. To overcome this limitation, we propose a statistical downscaling scheme based on deep learning that leverages multi-source Remote Sensing (RS) data. Our system relies on a U-Net Convolutional Neural Network (CNN) to downscale Geostationary (GEO) satellite multispectral imagery and continuously monitor active fire progression with a spatial resolution similar to Low Earth Orbit (LEO) sensors. In order to achieve this, the model trains on LEO RS products, land use information, vegetation properties, and terrain data. The practical implementation has been optimized to use cloud compute clusters, software containers and multi-step parallel pipelines in order to facilitate real time operational deployment. The performance of the model was validated in five wildfires selected from among the most destructive that occurred in California in 2017 and 2018. These results demonstrate the effectiveness of the proposed methodology in monitoring fire progression with high spatiotemporal resolution, which can be instrumental for decision support during the first hours of wildfires that may quickly become large and dangerous. Additionally, the proposed methodology can be leveraged to collect detailed quantitative data about real-scale wildfire behaviour, thus supporting the development and validation of fire spread models

Graduate Student Reflections on Mentorship in a Training and Outreach Program for Families of Children with Autism Spectrum Disorder

Undergraduate (n = 19) and graduate students (n = 8) participated in a two semester training program focused on learning about Autism Spectrum Disorder (ASD) and how to create individualized communication supports for families of children with ASD. The focus of this paper is on the graduate students’ training and mentoring experiences. Graduate students’ philosophies of mentoring undergraduate students and their final reflections of the experience were analyzed for themes and subthemes. Mentoring philosophies yielded four major themes: role of the mentor, mentoring goals, the mentor-mentee relationship, and learning. Graduate student reflections on their skills gained, what they learned about themselves, their leadership, and the challenges they faced were also categorized into themes. Analyses revealed undergraduate student ratings and qualitative comments regarding graduate student support. Implications and future directions for the development of hands-on training programs allowing graduate students in Communication Sciences and Disorders to assume mentorship roles will be discussed

SMN Protein Can Be Reliably Measured in Whole Blood with an Electrochemiluminescence (ECL) Immunoassay: Implications for Clinical Trials

Spinal muscular atrophy (SMA) is caused by defects in the survival motor neuron 1 (SMN1) gene that encodes survival motor neuron (SMN) protein. The majority of therapeutic approaches currently in clinical development for SMA aim to increase SMN protein expression and there is a need for sensitive methods able to quantify increases in SMN protein levels in accessible tissues. We have developed a sensitive electrochemiluminescence (ECL)-based immunoassay for measuring SMN protein in whole blood with a minimum volume requirement of 5μL. The SMN-ECL immunoassay enables accurate measurement of SMN in whole blood and other tissues. Using the assay, we measured SMN protein in whole blood from SMA patients and healthy controls and found that SMN protein levels were associated with SMN2 copy number and were greater in SMA patients with 4 copies, relative to those with 2 and 3 copies. SMN protein levels did not vary significantly in healthy individuals over a four-week period and were not affected by circadian rhythms. Almost half of the SMN protein was found in platelets. We show that SMN protein levels in C/C-allele mice, which model a mild form of SMA, were high in neonatal stage, decreased in the first few weeks after birth, and then remained stable throughout the adult stage. Importantly, SMN protein levels in the CNS correlated with SMN levels measured in whole blood of the C/C-allele mice. These findings have implications for the measurement of SMN protein induction in whole blood in response to SMN-upregulating therapy

A Radio Search For Pulsar Companions To SDSS Low-Mass White Dwarfs

We have conducted a search for pulsar companions to 15 low-mass white dwarfs (LMWDs; M < 0.4 M_Sun) at 820 MHz with the NRAO Green Bank Telescope (GBT). These LMWDs were spectroscopically identified in the Sloan Digital Sky Survey (SDSS), and do not show the photometric excess or spectroscopic signature associated with a companion in their discovery data. However, LMWDs are believed to evolve in binary systems and to have either a more massive WD or a neutron star as a companion. Indeed, evolutionary models of low-mass X-ray binaries, the precursors of millisecond pulsars (MSPs), produce significant numbers of LMWDs (e.g., Benvenuto & De Vito 2005), suggesting that the SDSS LMWDs may have neutron star companions. No convincing pulsar signal is detected in our data. This is consistent with the findings of van Leeuwen et al. (2007), who conducted a GBT search for radio pulsations at 340 MHz from unseen companions to eight SDSS WDs (five are still considered LMWDs; the three others are now classified as "ordinary" WDs). We discuss the constraints our non-detections place on the probability P_MSP that the companion to a given LMWD is a radio pulsar in the context of the luminosity and acceleration limits of our search; we find that P_MSP < 10 +4 -2 %.Comment: 5 pages, 1 figure, 1 table; accepted for publication in the Astrophysical Journa