bluuebunny/crossref_metadata_2025 huggingface dataset:
Factors Associated With Primary Care Physician Knowledge of the Recommended Regimen for Treating Gonorrhea
Authors: Bornstein Marta , Ahmed Faruque , Barrow Roxanne , Risley Jami Fraze , Simmons Sheena , Workowski Kimberly A.
Published: November 2016

Background

The recommended regimen for treating uncomplicated gonorrhea has changed over time, due to the emergence of antimicrobial resistance. We assessed physician knowledge of the recommendation for treating uncomplicated urogenital gonorrhea in adolescents and adults using ceftriaxone and azithromycin dual therapy.

Methods

We analyzed DocStyles 2015 survey data from 1357 primary care physicians practicing for at least 3 years who provided screening, diagnosis, or treatment for sexually transmitted diseases to one or more patients in an average month. Logistic regression and χ2 analyses were used to identify factors associated with knowledge of dual therapy.

Results

Among the options of treatment with ceftriaxone alone, azithromycin alone, both of these, or spectinomycin plus levofloxacin, 64% of physicians correctly preferred ceftriaxone plus azithromycin. Knowledge of the recommended dual therapy decreased with increasing years of practice, ranging from 74% among physicians with 3–9 years of practice to 57% among those practicing for ≥24 years (adjusted odds ratio, ORa, for ≥24 vs 3–9 years of practice, 0.50; 95% confidence interval [CI], 0.35–0.70). Knowledge of dual therapy decreased with higher socioeconomic status of patients (ORa for high income vs poor/lower middle income patients, 0.47; 95% CI, 0.32–0.69). Physicians who pursued continuing medical education using journals, podcasts, and government health agencies were more likely to report dual therapy than those who did not use these sources (ORa, 2.09; 95% CI, 1.31–3.33).

Conclusions

Knowledge of the recommended regimen for treating gonorrhea decreased with increasing years of practice and with higher socioeconomic status of patients.
Improving Physician Recommendations for Human Papillomavirus Vaccination: The Role of Professional Organizations
Authors: Hswen Yulin , Gilkey Melissa B. , Rimer Barbara K. , Brewer Noel T.
Published: November 2016

Background

To address low human papillomavirus (HPV) vaccination coverage, the American Academy of Family Physicians (AAFP) and the American Academy of Pediatrics (AAP) have launched national campaigns encouraging physicians to deliver strong HPV vaccine recommendations. We surveyed family physicians and pediatricians to examine the impact of these efforts on physicians’ recommendation practices.

Methods

A national sample of family physicians and pediatricians (n = 776) completed our online survey in 2014. The survey assessed reach, content, and influence of AAFP and AAP communications about HPV vaccination. The survey also assessed quality of physicians' communication practices for recommending HPV vaccination.

Results

Forty-seven percent of family physicians reported receiving information on HPV vaccination from AAFP, whereas 62% of pediatricians reported receiving information from AAP. Among physicians reached by AAFP or AAP, most reported receiving the message to give strong recommendations to adolescent boys (71%) and girls (78%). Although receiving information was not associated with HPV vaccine recommendation quality, receiving the message to give strong recommendations correlated with delivering higher-quality recommendations for boys (odds ratio, 4.19, 95% confidence interval, 2.64–6.64) and girls (odds ratio, 3.15, 95% confidence interval, 1.91–5.18). Over half of physicians reported improving their HPV vaccine communication after receiving information from AAFP (69%) or AAP (53%).

Conclusions

Our findings suggest that it is important for AAFP and AAP to communicate the need for strong HPV vaccine recommendations. Given that many physicians reported improving their recommendation practices, professional organizations stand to contribute to increasing HPV vaccination coverage, but they will likely need to increase the intensity of quality improvement efforts to do so.
Point-of-Care Thoracic Ultrasonography in the Diagnosis and Management of Kaposiform Lymphangiomatosis
Authors: Raam Manu S. , Festekjian Ara , Elkhunovich Marsha A.
Published: November 2016

Kaposiform lymphangiomatosis is a generalized lymphatic disorder complicated by consumptive coagulopathy and pericardial and pleural effusions. We present the case of a 13-year-old female adolescent given a diagnosis of a large pleural effusion by point-of-care thoracic ultrasonography, which led to further evaluation and diagnosis of this rare disorder. We review the use of point-of-care thoracic ultrasonography for the diagnosis of pleural effusion.
Mobile Health Technology to Communicate Discharge and Follow-Up Information to Adolescents From the Emergency Department
Authors: Ray Margaret , Dayan Peter S. , Pahalyants Vartan , Chernick Lauren S.
Published: November 2016

Objective

Adolescents are the largest users of mobile technology; yet, there are little data regarding their receptivity to the use of mobile health technology (mHealth) from the emergency department (ED). The objective of this study was to determine adolescents' preferences for receiving ED discharge and follow-up information via mHealth and factors associated with those preferences.

Methods

We administered an anonymous self-reporting survey to patients aged 14 to 19 years discharged from an urban pediatric ED. We conducted exploratory bivariate analyses to evaluate differences in communication preferences based on patient characteristics. We used multivariable logistic regression to determine whether preference for health information via mHealth is associated with frequent information technology (IT) use, adjusting for age, sex, ethnicity, and insurance status.

Results

Four hundred thirty-nine adolescents completed the survey. Most were female (n = 279, 64%), 14 to 17 years old (n = 247, 57%), Hispanic (n = 359, 86%), and insured (n = 388, 88%). Adolescents used IT often, texting more than 30 times a day (58%) and emailing more than once a day (61%). Most (n = 335, 78%) were interested in electronic communication from the ED. Teens expressed particular interest in using email for discharge instructions (n = 196, 47%), physician referrals (n = 197, 48%), and test results (n = 201, 48%) and using texting for medication (n = 155, 38%) and appointment reminders (n = 170, 41%). Individuals tended to prefer communication with IT modes that they typically used, although only email was independently associated with preference for this mode (adjusted odds ratio, 2.8; 95% confidence interval, 1.5-5.3).

Conclusions

Adolescent patients are interested in receiving health information from the ED, mainly via email and texting. Future ED interventions should evaluate the effectiveness of these modalities to communicate with patients after discharge.
Using an Implementation Research Framework to Identify Potential Facilitators and Barriers of an Intervention to Increase HPV Vaccine Uptake
Authors: Selove Rebecca , Foster Maya , Mack Raquel , Sanderson Maureen , Hull Pamela C.
Published: November 2016

Background:

Although the incidence of cervical cancer has been decreasing in the United States over the last decade, Hispanic and African American women have substantially higher rates than Caucasian women. The human papillomavirus (HPV) is a necessary, although insufficient, cause of cervical cancer. In the United States in 2013, only 37.6% of girls 13 to 17 years of age received the recommended 3 doses of a vaccine that is almost 100% efficacious for preventing infection with viruses that are responsible for 70% of cervical cancers. Implementation research has been underutilized in interventions for increasing vaccine uptake. The Consolidated Framework for Implementation Research (CFIR), an approach for designing effective implementation strategies, integrates 5 domains that may include barriers and facilitators of HPV vaccination. These include the innovative practice (Intervention), communities where youth and parents live (Outer Setting), agencies offering vaccination (Inner Setting), health care staff (Providers), and planned execution and evaluation of intervention delivery (Implementation Process).

Methods:

Secondary qualitative analysis of transcripts of interviews with 30 community health care providers was conducted using the CFIR to code potential barriers and facilitators of HPV vaccination implementation.

Results:

All CFIR domains except Implementation Process were well represented in providers' statements about challenges and supports for HPV vaccination.

Conclusion:

A comprehensive implementation framework for promoting HPV vaccination may increase vaccination rates in ethnically diverse communities. This study suggests that the CFIR can be used to guide clinicians in planning implementation of new approaches to increasing HPV vaccine uptake in their settings. Further research is needed to determine whether identifying implementation barriers and facilitators in all 5 CFIR domains as part of developing an intervention contributes to improved HPV vaccination rates.
Improving Retention in HIV Care Through New York's Expanded Partner Services Data-to-Care Pilot
Authors: Tesoriero James M. , Johnson Britney L. , Hart-Malloy Rachel , Cukrovany Jennifer L. , Moncur Brenda L. , Bogucki Kathleen M. , Anderson Bridget J. , Johnson Megan C.
Published: November 2016

Context:

Data to Care (DTC) represents a public health strategy using HIV surveillance data to link persons living with diagnosed HIV infection (PLWDHI) to HIV-related medical care.

Objective:

To investigate the feasibility of the DTC approach applied to a Partner Services program serving a geographically diffuse area of New York State.

Design:

Disease intervention specialists received training to function as Expanded Partner Services (ExPS) advocates. HIV surveillance data identified PLWDHI presumed to be out of care (OOC). ExPS advocates attempted to locate and reengage OOC individuals in HIV-related care. The pilot ran from September 1, 2013, to August 31, 2014.

Setting:

Four upstate New York counties, home to one-third of all PLWDHI in upstate New York.

Participants:

A total of 1155 PLWDHI presumed to be OOC.

Main Outcome Measures:

Linked to HIV medical care—cases verified as attending 1 or more HIV medical appointments subsequent to case assignment; reengaging in HIV care—any HIV laboratory test in the 6 months following case closure; and retention in HIV care—2 or more HIV laboratory tests in the 6 months following case closure.

Results:

The majority of assigned cases (85.3%) were located; 23.7% (n = 233) of located cases confirmed as OOC; and 71.2% of OOC cases (n = 166) were successfully relinked into care. Relinkage success did not differ by gender, transmission risk, or major race/ethnicity categories; however, there was a direct relationship between age and successful relinkage (P < .001). Ninety-five percent of relinked cases reengaged in medical care, and 63.3% were retained in care. Individuals relinked by ExPS advocates were more likely to reengage in care (95%) than individuals interviewed but not relinked to care by advocates (53.7%) and individuals ineligible for the ExPS intervention (34.2%).

Conclusion:

DTC can be effective when conducted outside large metropolitan areas and/or closed health care systems. It can also be effectively incorporated into existing Partner Services programs; however, the relative priority of DTC work must be established in this context.
Novel High Spatiotemporal Resolution Versus Standard-of-Care Dynamic Contrast-Enhanced Breast MRI
Authors: Morrison Courtney K. , Henze Bancroft Leah C. , DeMartini Wendy B. , Holmes James H. , Wang Kang , Bosca Ryan J. , Korosec Frank R. , Strigel Roberta M.
Published: November 2016

Objective

Currently, dynamic contrast-enhanced (DCE) breast magnetic resonance imaging (MRI) prioritizes spatial resolution over temporal resolution given the limitations of acquisition techniques. The purpose of our intrapatient study was to assess the ability of a novel high spatial and high temporal resolution DCE breast MRI method to maintain image quality compared with the clinical standard-of-care (SOC) MRI.

Materials and Methods

Thirty patients, each demonstrating a focal area of enhancement (29 benign, 1 cancer) on their SOC MRI, consented to undergo a research DCE breast MRI on a second date. For the research DCE MRI, a method (DIfferential Subsampling with Cartesian Ordering [DISCO]) using pseudorandom k-space sampling, view sharing reconstruction, 2-point Dixon fat-water separation, and parallel imaging was used to produce images with an effective temporal resolution 6 times faster than the SOC MRI (27 vs 168 seconds, respectively). Both the SOC and DISCO MRI scans were acquired with matching spatial resolutions of 0.8 × 0.8 × 1.6 mm3. Image quality (distortion/artifacts, resolution, fat suppression, lesion conspicuity, perceived signal-to-noise ratio, and overall image quality) was scored by 3 radiologists in a blinded reader study.

Results

Differences in image quality scores between the DISCO and SOC images were all less than 0.8 on a 10-point scale, and both methods were assessed as providing diagnostic image quality in all cases. DISCO images with the same high spatial resolution, but 6 times the effective temporal resolution as the SOC MRI scans, were produced, yielding 20 postcontrast time points with DISCO compared with 3 for the SOC MRI, over the same total time interval.

Conclusions

DISCO provided comparable image quality compared with the SOC MRI, while also providing 6 times faster effective temporal resolution and the same high spatial resolution.
Moderate Renal Failure Accentuates T1 Signal Enhancement in the Deep Cerebellar Nuclei of Gadodiamide-Treated Rats
Authors: Rasschaert Marlène , Idée Jean-Marc , Robert Philippe , Fretellier Nathalie , Vives Véronique , Violas Xavier , Ballet Sébastien , Corot Claire
Published: November 2016

Objectives

The purpose of this preclinical study was to investigate whether moderate chronic kidney disease is a factor in potentiating gadolinium (Gd) uptake in the brain.

Materials and Methods

A comparative study was performed on renally impaired (subtotal nephrectomy) rats versus rats with normal renal function. The animals received 4 daily injections of 0.6 mmol Gd/kg a week for 5 weeks (cumulative dose of 12 mmol Gd/kg) of gadodiamide or saline solution. The MR signal enhancement in the deep cerebellar nuclei was monitored by weekly magnetic resonance imaging examinations. One week after the final injection, the total Gd concentration was determined by inductively coupled plasma mass spectrometry in different regions of the brain including the cerebellum, plasma, cerebrospinal fluid, parietal bone, and femur.

Results

After the administration of gadodiamide, the subtotal nephrectomy group presented a significantly higher T1 signal enhancement in the deep cerebellar nuclei and a major increase in the total Gd concentration in all the studied structures, compared with the normal renal function group receiving the same linear Gd-based contrast agent. Those potentiated animals also showed a pronounced hypersignal in the choroid plexus, still persistent 6 days after the last injection, whereas low concentration of Gd was found in the cerebrospinal fluid (<0.05 μmol/L) at this time point. Plasma Gd concentration was then around 1 μmol/L. Interestingly, plasma Gd was predominantly in a dissociated and soluble form (around 90% of total Gd). Total Gd concentrations in the brain, cerebellum, plasma, and bones correlated with creatinine clearance in both the gadodiamide-treated groups.

Conclusions

Renal insufficiency in rats potentiates Gd uptake in the cerebellum, brain, and bones.
X-ray crystallographic insights into post-synthetic metalation products in a metal–organic framework
Authors: Huxley Michael T. , Coghlan Campbell J. , Bloch Witold M. , Burgun Alexandre , Doonan Christian J. , Sumby Christopher J.
Published: November 2016

Post-synthetic modification of metal–organic frameworks (MOFs) facilitates a strategic transformation of potentially inert frameworks into functionalized materials, tailoring them for specific applications. In particular, the post-synthetic incorporation of transition-metal complexes within MOFs, a process known as ‘metalation’, is a particularly promising avenue towards functionalizing MOFs. Herein, we describe the post-synthetic metalation of a microporous MOF with various transition-metal nitrates. The parent framework,
1
, contains free-nitrogen donor chelation sites, which readily coordinate metal complexes in a single-crystal to single-crystal transformation which, remarkably, can be readily monitored by X-ray crystallography. The presence of an open void surrounding the chelation site in
1
prompted us to investigate the effect of the MOF pore environment on included metal complexes, particularly examining whether void space would induce changes in the coordination sphere of chelated complexes reminiscent of those found in the solution state. To test this hypothesis, we systematically metalated
1
with first-row transition-metal nitrates and elucidated the coordination environment of the respective transition-metal complexes using X-ray crystallography. Comparison of the coordination sphere parameters of coordinated transition-metal complexes in
1
against equivalent solid- and solution-state species suggests that the void space in
1
does not markedly influence the coordination sphere of chelated species but we show notably different post-synthetic metalation outcomes when different solvents are used.

This article is part of the themed issue ‘Coordination polymers and metal–organic frameworks: materials by design’.
Arene guest selectivity and pore flexibility in a metal–organic framework with semi-fluorinated channel walls
Authors: Smith Rebecca , Vitórica-Yrezábal Iñigo J. , Hill Adrian , Brammer Lee
Published: November 2016

A metal–organic framework (MOF) with one-dimensional channels of approximately hexagonal cross-section [Ag
2
(O
2
CCF
2
CF
2
CO
2
)(TMP)]
1
(TMP =2,3,5,6-tetramethylpyrazine) has been synthesized with MeOH filling the channels in its as-synthesized form as [Ag
2
(O
2
CCF
2
CF
2
CO
2
)(TMP)]·
n
(MeOH)
1-MeOH
(
n
 = 1.625 by X-ray crystallography). The two types of ligand connect columns of Ag(I) centres in an alternating manner, both around the channels and along their length, leading to an alternating arrangement of hydrocarbon (C–H) and fluorocarbon (C–F) groups lining the channel walls, with the former groups projecting further into the channel than the latter. MeOH solvent in the channels can be exchanged for a variety of arene guests, ranging from xylenes to tetrafluorobenzene, as confirmed by gas chromatography,
1
H nuclear magnetic resonance (NMR) spectroscopy, thermogravimetric analysis and
13
C cross-polarization magic angle spinning NMR spectroscopy. Alkane and perfluoroalkane guests, however, do not enter the channels. Although exhibiting some stability under a nitrogen atmosphere, sufficient to enable crystal structure determination, the evacuated MOF
1
is unstable for periods of more than minutes under ambient conditions or upon heating, whereupon it undergoes an irreversible solid-state transformation to a non-porous polymorph
2
, which comprises Ag
2
(O
2
CCF
2
CF
2
CO
2
) coordination layers that are pillared by TMP ligands. This transformation has been followed
in situ
by powder X-ray diffraction and shown to proceed via a crystalline intermediate.

This article is part of the themed issue ‘Coordination polymers and metal–organic frameworks: materials by design’.
Photochemistry of framework-supported M(diimine)(CO)
3
X complexes in three-dimensional lithium carboxylate metal–organic frameworks: monitoring the effect of framework cations
Authors: Reade Thomas J. , Murphy Thomas S. , Calladine James A. , Horvath Raphael , Clark Ian P. , Greetham Gregory M. , Towrie Michael , Lewis William , George Michael W. , Champness Neil R.
Published: November 2016

The structures and photochemical behaviour of two new metal–organic frameworks (MOFs) are reported. Reaction of Re(2,2′-bipy-5,5′-dicarboxylic acid)(CO)
3
Cl or Mn(2,2′-bipy-5,5′-dicarboxylic acid)(CO)
3
Br with LiCl or LiBr, respectively, produces single crystals of {Li
2
(DMF)
2
[(2,2′-bipy-5,5′-dicarboxylate)Re(CO)
3
Cl]}

n

(
ReLi
) or {Li
2
(DMF)
2
[(2,2′-bipy-5,5′-dicarboxylate)Mn(CO)
3
Br]}

n

(
MnLi
). The structures formed by the two MOFs comprise one-dimensional chains of carboxylate-bridged Li(I) cations that are cross-linked by units of Re(2,2′-bipy-5,5′-dicarboxylate)(CO)
3
Cl (
ReLi
) or Mn(2,2′-bipy-5,5′- dicarboxylate)(CO)
3
Br (
MnLi
). The photophysical and photochemical behaviour of both
ReLi
and
MnLi
are probed. The rhenium-containing MOF,
ReLi
, exhibits luminescence and the excited state behaviour, as established by time-resolved infrared measurements, is closer in behaviour to that of unsubstituted [Re(bipy)(CO)
3
Cl] rather than a related MOF where the Li(I) cations are replaced by Mn(II) cations. These observations are further supported by density functional theory calculations. Upon excitation
MnLi
forms a dicarbonyl species which rapidly recombines with the dissociated CO, in a fashion consistent with the majority of the photoejected CO not escaping the MOF channels.

This article is part of the themed issue ‘Coordination polymers and metal–organic frameworks: materials by design’.
Gas adsorption and structural diversity in a family of Cu(II) pyridyl-isophthalate metal–organic framework materials
Authors: Gould Jamie A. , Athwal Harprit Singh , Blake Alexander J. , Lewis William , Hubberstey Peter , Champness Neil R. , Schröder Martin
Published: November 2016

A family of Cu(II)-based metal–organic frameworks (MOFs) has been synthesized using three pyridyl-isophthalate ligands, H
2
L
1
(4′-(pyridin-4-yl)biphenyl-3,5-dicarboxylic acid), H
2
L
2
(4′′-(pyridin-4-yl)-1,1′:4′,1′′-terphenyl-3,5-dicarboxylic acid) and H
2
L
3
(5-[4-(pyridin-4-yl)naphthalen-1-yl]benzene-1,3-dicarboxylic acid). Although in each case the pyridyl-isophthalate ligands adopt the same pseudo-octahedral [Cu
2
(O
2
CR)
4
N
2
] paddlewheel coordination modes, the resulting frameworks are structurally diverse, particularly in the case of the complex of Cu(II) with H
2
L
3
, which leads to three distinct supramolecular isomers, each derived from Kagomé and square nets. In contrast to [Cu(L
2
)] and the isomers of [Cu(L
3
)], [Cu(L
1
)] exhibits permanent porosity. Thus, the gas adsorption properties of [Cu(L
1
)] were investigated with N
2
, CO
2
and H
2
, and the material exhibits an isosteric heat of adsorption competitive with leading MOF sorbents for CO
2
. [Cu(L
1
)] displays high H
2
adsorption, with the density in the pores approaching that of liquid H
2
.

This article is part of the themed issue ‘Coordination polymers and metal–organic frameworks: materials by design’.
Structure of general-population antibody titer distributions to influenza A virus
Authors: Nhat Nguyen Thi Duy , Todd Stacy , de Bruin Erwin , Thao Tran Thi Nhu , Vy Nguyen Ha Thao , Quan Tran Minh , Vinh Dao Nguyen , Beek Janko van , Anh Pham Hong , Lam Ha Minh , Hung Nguyen Thanh , Thanh Nguyen Thi Le , Huy Huynh Le Anh , Ha Vo Thi Hong , Baker Stephen , Thwaites Guy E , Lien Nguyen Thi Nam , Hong Tran Thi Kim , Farrar Jeremy , Simmons Cameron P , Chau Nguyen Van Vinh , Koopmans Marion , Boni Maciej F
Published: November 2016

Seroepidemiological studies aim to understand population-level exposure and immunity to infectious diseases. Results from serological assays are normally presented as binary outcomes describing the presence or absence of pathogen-specific antibody, despite the fact that many assays measure continuous quantities. A population’s natural distribution of antibody titers to an endemic infectious disease may in fact include information on multiple serological states – e.g. naiveté, recent infection, non-recent infection – depending on the disease in question and the acquisition and waning patterns of host immunity. In this study, we investigate a collection of 20,152 general-population serum samples from southern Vietnam collected between 2009 and 2013 from which we report antibody titers to the influenza virus HA1 protein using a continuous titer measurement from a protein microarray assay. We describe the distributions of antibody titers to subtypes 2009 H1N1 and H3N2. Using a model selection approach to fit mixture distributions, we show that 2009 H1N1 antibody titers fall into four titer subgroups and that H3N2 titers fall into three subgroups. For H1N1, our interpretation is that the two highest-titer subgroups correspond to recent infection and historical infection, which is consistent with 2009 pandemic attack rates. For H3N2, observations censored at the highest titer dilutions make similar interpretations difficult to validate.
Sphingolipid metabolic flow controls phosphoinositide turnover at thetransGolgi network
Authors: Capasso Serena , Sticco Lucia , Rizzo Riccardo , Pirozzi Marinella , Russo Domenico , Dathan Nina A. , Campelo Felix , van Galen Josse , Hausser Angelika , Malhotra Vivek , Parashuraman Seetharaman , Luini Alberto , D’Angelo Giovanni
Published: November 2016

Sphingolipids are membrane lipids, which are globally required for eukaryotic life. Sphingolipid composition varies among endomembranes with pre- and post-Golgi compartments being poor and rich in sphingolipids, respectively. Thanks to this different sphingolipid content, pre- and post-Golgi membranes serve different cellular functions. Nevertheless, how subcellular sphingolipid levels are maintained in spite of trafficking and metabolic fluxes is only partially understood. Here we describe a homeostatic control circuit that controls sphingolipid levels at the trans Golgi network. Specifically, we show that sphingomyelin production at the trans Golgi network triggers a signalling reaction leading to PtdIns(4)P dephosphorylation. Since PtdIns(4)P is required for cholesterol, and sphingolipid transport to the trans Golgi network, PtdIns(4)P consumption leads to the interruption of this transport in response to excessive sphingomyelin production. Based on this evidence we envisage a model where this homeostatic circuit maintains the sphingolipid composition of trans Golgi network and thus of post-Golgi compartments constant, against instant fluctuations in the sphingolipid biosynthetic flow.
Dynamic X-ray diffraction sampling for protein crystal positioning
Authors: Scarborough Nicole M. , Godaliyadda G. M. Dilshan P. , Ye Dong Hye , Kissick David J. , Zhang Shijie , Newman Justin A. , Sheedlo Michael J. , Chowdhury Azhad U. , Fischetti Robert F. , Das Chittaranjan , Buzzard Gregery T. , Bouman Charles A. , Simpson Garth J.
Published: November 2016

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.
On the interpretation of reflectivity data from lipid bilayers in terms of molecular-dynamics models
Authors: Hughes Arwel V. , Ciesielski Fillip , Kalli Antreas C. , Clifton Luke A. , Charlton Timothy R. , Sansom Mark S. P. , Webster John R. P.
Published: November 2016

Neutron and X-ray reflectivity of model membranes is increasingly used as a tool for the study of membrane structures and dynamics. As the systems under study become more complex, and as long, all-atom molecular-dynamics (MD) simulations of membranes become more available, there is increasing interest in the use of MD simulations in the analysis of reflectometry data from membranes. In order to perform this, it is necessary to produce a model of the complete interface, including not only the MD-derived structure of the membrane, but also the supporting substrate and any other interfacial layers that may be present. Here, it is shown that this is best performed by first producing a model of the occupied volume across the entire interface, and then converting this into a scattering length density (SLD) profile, rather than by splicing together the separate SLD profiles from the substrate layers and the membrane, since the latter approach can lead to discontinuities in the SLD profile and subsequent artefacts in the reflectivity calculation. It is also shown how the MD-derived membrane structure should be corrected to account for lower than optimal coverage and out-of-plane membrane fluctuations. Finally, the method of including the entire membrane structure in the reflectivity calculation is compared with an alternative approach in which the membrane components are approximated by functional forms, with only the component volumes being extracted from the simulation. It is shown that using only the fragment volumes is insufficient for a typical neutron data set of a single deuteration measured at several water contrasts, and that either weighting the model by including more structural information from the fit, or a larger data set involving a range of deuterations, are required to satisfactorily define the problem.
Molecular symmetry-constrained systematic search approach to structure solution of the coiled-coil SRGAP2 F-BARx domain
Authors: Sporny Michael , Guez-Haddad Julia , Waterman David G. , Isupov Michail N. , Opatowsky Yarden
Published: November 2016

SRGAP2 (Slit–Robo GTPase-activating protein 2) is a cytoplasmic protein found to be involved in neuronal branching, restriction of neuronal migration and restriction of the length and density of dendritic postsynaptic spines. The extended F-BAR (F-BARx) domain of SRGAP2 generates membrane protrusions when expressed in COS-7 cells, while most F-BARs induce the opposite effect: membrane invaginations. As a first step to understand this discrepancy, the F-BARx domain of SRGAP2 was isolated and crystallized after co-expression with the carboxy domains of the protein. Diffraction data were collected from two significantly non-isomorphous crystals in the same monoclinicC2 space group. A correct molecular-replacment solution was obtained by applying a molecular symmetry-constrained systematic search approach that took advantage of the conserved biological symmetry of the F-BAR domains. It is shown that similar approaches can solve other F-BAR structures that were previously determined by experimental phasing. Diffraction data were reprocessed with a high-resolution cutoff of 2.2 Å, chosen using less strict statistical criteria. This has improved the outcome of multi-crystal averaging and other density-modification procedures.
Improved radiation dose efficiency in solution SAXS using a sheath flow sample environment
Authors: Kirby Nigel , Cowieson Nathan , Hawley Adrian M. , Mudie Stephen T. , McGillivray Duncan J. , Kusel Michael , Samardzic-Boban Vesna , Ryan Timothy M.
Published: November 2016

Radiation damage is a major limitation to synchrotron small-angle X-ray scattering analysis of biomacromolecules. Flowing the sample during exposure helps to reduce the problem, but its effectiveness in the laminar-flow regime is limited by slow flow velocity at the walls of sample cells. To overcome this limitation, the coflow method was developed, where the sample flows through the centre of its cell surrounded by a flow of matched buffer. The method permits an order-of-magnitude increase of X-ray incident flux before sample damage, improves measurement statistics and maintains low sample concentration limits. The method also efficiently handles sample volumes of a few microlitres, can increase sample throughput, is intrinsically resistant to capillary fouling by sample and is suited to static samples and size-exclusion chromatography applications. The method unlocks further potential of third-generation synchrotron beamlines to facilitate new and challenging applications in solution scattering.
4-(Benzo[d]thiazol-2-yl)-N,N-dimethylaniline
Authors: Tang Yi-Wen , Wang Jing-Hang , Xie Qing-Yuan , Wang Quan , Wu Jie-Ying
Published: November 2016

The whole molecule of the title compound, C15H14N2S, is approximately planar, with an r.m.s. deviation of 0.0382 Å from the best-fit mean plane through all 18 non-H atoms. In the crystal, dimers form through π–π stacking interactions between the benzene rings of adjacent benzothiazole ring systems, with a centroid–centroid separation of 3.6834 (16) Å.
7-Bromo-2,3-bis[(prop-2-yn-1-yl)sulfanyl]pyrido[2,3-b]pyrazine
Authors: Sikine Meriem , Mague Joel T. , Kandri Rodi Youssef , Essassi El Mokhtar , Ouzidan Younes
Published: November 2016

In the title compound, C13H8BrN3S2, one propynyl substituent lies approximately in the plane of the pyridopyrazine ring system, while the other is twisted away from this plane. In the crystal, offset π–π stacking interactions between the pyridine and pyrazine rings with a centroid–centroid distance of 3.740 (1) Å stack the molecules along thea-axis direction. At the conclusion of the initial refinement, a significant residual peak remained in the difference map. This suggested an alternate location for the Br atom but at a very low occupancy. Further refinement with Br disordered over two sites yielded a population ratio for the two Br sites of 97:3. As the refined location of the minor Br site leads to unequal C—C—Br angles, we feel that the results indicate a `whole molecule' disorder rather than the presence of a minor amount of an isomer. Unfortunately, the very low amount of the second component of the disorder prevented the location of any of its other atoms.
Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate
Authors: Barrio Jesús , Delgado Esther , Hernández Diego , Hernández Elisa , Perles Josefina , Zamora Félix
Published: November 2016

The asymmetric unit of the title compound, (C6H16N)[Cu(C6H2Cl2S2)2]·C4H8O, comprises a [Cu(SC6H2Cl2S)2]−anion, an [iPr2NH2]+cation and a solvent tetrahydrofuran molecule. The CuIIIatom has an almost square-planar CuS4coordination environment. In the crystal, the anion and the solvent molecule are linkedviaN—H...O and N—H...S hydrogen bonds involving the diisopropylammonium cation. There are no other significant intermolecular interactions present.
Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-b]benzo[h]quinoline-9-carboxylate
Authors: Bakhite Etify A. , Kaur Manpreet , Akkurt Mehmet , Mohamed Shaaban K. , Jasinski Jerry P. , Albayati Mustafa R.
Published: November 2016

In the title compound, C22H18N2O3S, the two independent molecules in the asymmetric unit form a dimerviaN—H...O hydrogen bonds. In the crystal, the molecular layers can be found in the (110) plane, connected by C—H...π interactions. Atoms of the furan ring of one independent molecule are disordered over two sets of sites with an occupancy ratio 0.735 (3):0.265 (3).
Trauma-focussed cognitive-behaviour therapy for people with mild intellectual disabilities: outcomes of a pilot study
Authors: Stenfert Kroese Biza , Willott Sara , Taylor Frances , Smith Philippa , Graham Ruth , Rutter Tara , Stott Andrew , Willner Paul
Published: November 2016

Purpose

Trauma-focussed cognitive-behaviour therapy (TF-CBT) is the most effective treatment for post-traumatic stress disorder (PTSD). Individuals who present with complex PTSD are among the most complex and challenging patients seen by intellectual disability psychology and psychiatry services. The purpose of this paper is to study TF-CBT intervention for people with intellectual disabilities and complex PTSD.

Design/methodology/approach

Three groups of adults with intellectual disabilities (ID) presenting with complex PTSD (n=3,n=5 andn=4) were treated using a 12-week manualised intervention adapted from a procedure routinely used in adult mental health services. Participants completed the Impact of Event Scale as adapted for people with intellectual disabilities (IES-ID) before and after the intervention, and interviews conducted to ascertain their experiences of the group were analysed using interpretative phenomenological analysis (IPA).

Findings

The ten participants who completed the intervention showed a 27 per cent decrease in median Impact of Event Scale Intellectual Disabilities scores, equivalent to a medium effect size (d=0.50). Five themes were identified from the interviews: being listened to; it is nice to know you are not the only one; being in a group can be stressful; the importance of feeling safe; achieving and maintaining change. Participants also provided constructive feedback to promote improvements to the manual.

Research limitations/implications

A feasibility study followed by methodologically robust clinical trials is now needed to establish the effectiveness of the intervention and its utility in clinical practice.

Practical implications

This small study has confirmed the potential of TF-CBT as an intervention for extremely vulnerable individuals with ID who present with complex PTSD.

Social implications

The findings indicate that a group intervention is both feasible for and acceptable to adults with ID.

Originality/value

To date, no study has investigated the effectiveness and feasibility of a TF-CBT group intervention for adults with mild ID.
Book clubs for people with intellectual disabilities: the evidence and impact on wellbeing and community participation of reading wordless books
Authors: Hollins Sheila , Egerton Jo , Carpenter Barry
Published: November 2016

Purpose

The purpose of this paper is to introduce the social and scientific rationale for book clubs, whose members read wordless books together, and give examples of storytelling with picture books in libraries and other community settings for people with intellectual disabilities and autism.

Design/methodology/approach

The authors consider the impact of book clubs reading picture books without words, alongside an understanding of the underlying neuroscience (see Table I for search strategy). The authors compare differences in the neuroscience of information and emotion processing between pictures and words. Accounts from book club facilitators illustrate these differences in practice.

Findings

Many readers who struggle with reading and comprehending words, find pictures much easier to understand. Book clubs support community inclusion, as for other people in society. A focus on visual rather than word literacy encourages successful shared reading.

Research limitations/implications

No research has been published about the feasibility and effectiveness of wordless books in community book clubs or shared reading groups. There is very little research on the impact of accessible materials, despite a legal requirement for services to provide reasonable adjustments and the investment of time and resources in developing storylines in pictures, or “translating” information into easy read formats.

Practical implications

Book clubs whose members read picture books without words are growing in number, especially in public libraries in the UK. Expansion is dependent on funding to pay for training for librarians and volunteer facilitators.

Social implications

There is a shortage of fully accessible activities for adults with intellectual disabilities in mainstream community settings with a primarily social purpose.

Originality/value

To the authors’ knowledge, this is the first paper describing the theory and impact of wordless book clubs for people who find pictures easier to understand than words.
Loss and profound intellectual disabilities: the significance of early separation responses
Authors: Young Hannah
Published: November 2016

Purpose

Intellectual disabilities (ID) may complicate the experience of bereavement and loss, in those with communicative impairments compounded by complex healthcare needs and sensori-motor limitations. Whilst theorists have argued that the cognitive difficulties of people with profound ID impede mourning reactions, none have attempted to make sense of the responses they do exhibit. The current paper discusses this.

Design/methodology/approach

A select review considers the neurobiology underlying attachment bonds, complications in attachment formation and affect regulation in people with ID, and separation responses of people with profound ID.

Findings

The current paper demonstrates that by recognising the affective nature of separation distress, an understanding beyond a cognitive conceptualisation is possible.

Research limitations/implications

It is worth questioning whether people with profound ID are incapable of any meaningful form of person permanence. A critical review could deal with this comparatively by drawing on research of person and object permanence in typically developing children.

Practical implications

Of specific interest, the bio-behavioural regulators of relationships may help us to appreciate the importance of routine physical health and social care for emotional wellbeing in this group.

Originality/value

It is argued that by appreciating the basic emotional and regulatory functions of relationships, we can achieve a greater insight into the loss experiences of people with profound ID that will offer therapeutic direction.
“What can we do?” Compassionate care and the potential role of clinical psychologists working within intellectual disability services post-Francis and Winterbourne
Authors: Beard Kieron , Barter Barbara
Published: November 2016

Purpose

The purpose of this paper is to discuss the role of clinical psychologists in promoting compassionate cultures within intellectual disability services.

Design/methodology/approach

This is a commentary paper which draws on Albee’s (1983, 2000) social justice model as a theoretical framework for the primary prevention of the mental health consequences of social injustice.

Findings

Albee’s model conceptualises three interconnected areas including; the individual or micro-level, the organisational or meso-level and the level of social structures, policies and ideology or macro-level. Where possible, specific examples were used to highlight how the authors are currently contributing to this agenda through work that is already underway and areas for development within the service.

Originality/value

As a commentary paper this discusses current practice and ideas for future practice but does not present original data.
Strategies for growth of a family business operating in the Macedonian wine industry
Authors: Mrshikj Jadranka , Vadnjal Jaka
Published: November 2016

Subject area

Entrepreneurial management.

Study level/applicability

The case is intended to be used by graduate students of Management and Entrepreneurship in the courses of Strategic Management and Entrepreneurial Management.

Case overview

One of the first private wineries in Republic of Macedonia, a developing country which entered market economy in the end of 1990s, has successfully been using the advantages of good soil and weather conditions to provide opportunity for excellent wine making. After almost 20 years of blazing a successful entrepreneurial trail built on innovation, strict quality control, brand building and close family hands-on management, the market soon became too small; thus, internationalization was the next logical step. This case provides local and global data on the wine industry, the Mac Wine facts and figures and financial data to help answer the questions about its future management and marketing strategies and the ownership transition.

Expected learning outcomes

This case has been documented to help students to understand the concept and applicability of the growth strategy of a new venture in the developing country. The students will understand how this growth was realized by answering the following questions: What are the factors that contributed to the growth of this venture? Evaluate the Mac Wine decision to build a brand based on production of high-quality wines. Is Mac Wine’s marketing strategy adequate? Is the family-owned business more of a strength or a weakness at the time being? And in the future?

Supplementary materials

Teaching notes are available for educators only. Please contact your library to gain login details or email support@emeraldinsight.com to request teaching notes.

Subject code

CSS 3: Entrepreneurship.
Analysis of social functions in Iran’s public hospitals: pattern of offering discounts to poor patients
Authors: Aryankhesal Aidin , Etemadi Manal , Agharahimi Zahra , Rostami Elham , Mohseni Mohammad , Musavi Zeinab
Published: November 2016

Purpose

Exemption from hospital charges may appear as an essential policy in order to support the poor. Such policies can function for the fulfillment of governments’ social- and justice-based responsibilities in public hospitals. The purpose of this paper is to investigate the pattern of offering discounts to the poor and the effect of Iran’s recent Health Sector Evolution Plan on it.

Design/methodology/approach

The authors conducted analytical research longitudinally on the data related to cash discounts offered to the poor within a teaching hospital. Data were collected through the period of four months, September to December 2013, before the establishment of the Health Sector Evolution Plan, and in the similar months through 2014, after the establishment of the Health Sector Evolution Plan, in order to compare the amount of cash discounts. The type of insurance, length of stay, amount of discounts offered to patients, and total costs of hospital charges were studied and compared by referring to the social working department. Data were analyzed using the χ2-test, Mann-Whitney U test, ANOVA, and regression analysis aided by SPSS 20.

Findings

The number of patients offered discounts or exempted from payment in 2014 reduced compared to the number in 2013. The highest rate of demand for discounts was related to patients covered by Emdad Committee followed by those who had no insurance. The ratio of discount to cost in the oncology ward was higher than other groups.

Originality/value

The results of the present study can contribute to the plans of health system policy makers in organizing measures for supporting poor patients toward accessing healthcare services.