bluuebunny/crossref_metadata_2025 huggingface dataset:
Patatin‐Like Phospholipase Domain‐Containing Protein 3 I148M and Liver Fat and Fibrosis Scores Predict Liver Disease Mortality in the U.S. Population
Authors: Unalp‐Arida Aynur , Ruhl Constance E.
Published: November 2019

Background and Aims

Fatty liver causes premature death worldwide and requires long‐term health care. We examined relationships of liver disease markers, including patatin‐like phospholipase domain‐containing protein 3 (PNPLA3) I148M, with mortality in the U.S. National Health and Nutrition Examination Survey, 1988‐1994, with 27 years of linked mortality data.

Approach and Results

We studied 13,298 viral hepatitis negative adults who fasted at least 4 hours using the nonalcoholic fatty liver disease (NAFLD) liver fat score and NAFLD fibrosis score. PNPLA3 I148M was genotyped in a subgroup of participants from 1991 to 1994 (n = 5,640). Participants were passively followed for mortality, identified by death certificate underlying or contributing causes, by linkage to the National Death Index through 2015. During follow‐up (median, 23.2 years), cumulative mortality was 33.2% overall and 1.1% with liver disease, including primary liver cancer. Increased liver disease mortality was associated with PNPLA3 I148M (hazard ratio [HR], 2.9; 95% confidence interval [CI], 0.9‐9.8) and 148M genotypes (HR, 18.2; 95% CI, 3.5‐93.8), an intermediate (HR, 3.8; 95% CI, 1.3‐10.7) or high (HR, 12.6; 95% CI, 4.3‐36.3) NAFLD liver fat score, and a high NAFLD fibrosis score (HR, 12.2; 95% CI, 1.9‐80.6) adjusted for risk factors. Survival curves suggest that increased mortality risk with two 148M alleles was greatest beginning in the second decade of follow‐up. Overall, but not cardiovascular disease, mortality was associated with the PNPLA3 148M allele, and both mortality outcomes were associated with higher fat and fibrosis scores.

Conclusions

In the U.S. population, PNPLA3 I148M and higher NAFLD liver fat and fibrosis scores were associated with increased liver disease mortality. Genetic variant PNPLA3 I148M may complement other liver disease markers for NAFLD surveillance.
Interface design on cabin pressurization system affecting pilot's situation awareness: The comparison between digital displays and pointed displays
Authors: Li Wen‐Chin , Zakarija Marko , Yu Chung‐San , McCarty Pete
Published: November 2019

The fundamental approach to improve pilots’ situation awareness (SA) would be to reorganize and restructure the presentation of information to fit pilot's cognitive model on the flight deck. This would facilitate pilots’ perception, understanding, and projection, hence making it easier to find the relevant targets. Sixty pilots (30 B‐737 pilots and 30 B‐777 pilots) participated in this study to investigate pilots’ SA while interacting with digital displays and moving pointed needle displays on cabin pressurization system. The results have shown significant differences on pilots’ perception, understanding, and overall SA between digital display and pointed display on the flight deck. Pilots significantly preferred the digital design cabin pressurization system, which is consistent with the proximity compatibility principle, and the position of the display on the center instrument panel is easily accessible to both pilots and does not require large head movements. There are some recommendations on the cabin pressurization design including the size of outflow valve position indicator, which should be significantly increased to provided saliency of information; color coding should be used on cabin altitude and differential pressure indicator to mark critical cabin altitude; and standard operating procedures shall include cabin altitude and differential pressure reading by pilot monitoring. The final and completed solution to the issues on the cabin pressurization system is to redesign the scattered pointed displays as integrated digital displays to fit the human‐centered principle.
Acceptance of postpartum intrauterine contraceptive device among women attending antenatal care in a low‐resource setting in Nigeria
Authors: Ezugwu Euzebus C. , Achara John I. , Ezugwu Onyinye C. , Ezegwui Hyginus U.
Published: November 2019

Objective

To assess the level of awareness, acceptance, and any identifiable barriers to the use of postpartum intrauterine devices (PPIUDs) among pregnant women receiving care in a low‐resource setting in Nigeria.

Methods

A pretested interviewer‐administered questionnaire was used to obtain relevant data from all consenting pregnant women receiving antenatal care at Polyclinic and Uwani health center in the city of Enugu from January 1 to March 31, 2018. Data were entered and analyzed using Epi Info statistical software. P<0.05 was considered statistically significant.

Results

About two‐thirds (65.6%) of the 620 respondents were unaware of PPIUDs. After counseling, about one‐third (36.8%, n=228/620) of the respondents accepted having an immediate PPIUD, while the majority (63.2%, n=392/620) declined. The identified barriers towards accepting immediate PPIUDs were fear of side effects (57.9%), religious reasons (20.7%), and preference for other contraceptive methods. None of the respondents had ever inserted a PPIUD previously.

Conclusion

The low level of acceptance of PPIUDs in the study appears to be a reflection of the low level of awareness of PPIUDs in the region. Efforts in creating awareness and health education to dispel the myths and misconceptions about PPIUDs are required in order to promote its uptake in the region.
Temporal Trends and Factors Associated with Bisphosphonate Discontinuation and Restart
Authors: Adami Giovanni , Jaleel Ayesha , Curtis Jeffrey R , Delzell Elizabeth , Chen Rui , Yun Huifeng , Daigle Shanette , Arora Tarun , Danila Maria I , Wright Nicole C , Cadarette Suzanne M , Mudano Amy , Foster Jeffrey , Saag Kenneth G
Published: November 2019

Adverse events related to long-term use of bisphosphonates have raised interest in temporary drug discontinuation. Trends in bisphosphonate discontinuation and restart, as well factors associated with these decisions, are not fully understood at a population level. We investigated temporal trends of bisphosphonate discontinuation from 2010 to 2015 and identified factors associated with discontinuation and restart of osteoporosis therapy. Our cohort consisted of long-term bisphosphonate users identified from 2010 to 2015 Medicare data. We defined discontinuation as ≥12 months without bisphosphonate prescription claims. We used conditional logistic regression to compare factors associated with alendronate discontinuation or osteoporosis therapy restart in the 120-day period preceding discontinuation or restart referent to the 120-day preceding control periods. Among 73,800 long-term bisphosphonate users, 59,251 (80.3%) used alendronate, 6806 (9.2%) risedronate, and 7743 (10.5%) zoledronic acid, exclusively. Overall, 26,281 (35.6%) discontinued bisphosphonates for at least 12 months. Discontinuation of bisphosphonates increased from 1.7% in 2010, reaching a peak of 14% in 2012 with levels plateauing through 2015. The factors most strongly associated with discontinuation of alendronate were: benzodiazepine prescription (adjusted odds ratio [aOR] = 2.5; 95% confidence interval [CI] 2.1, 3.0), having a dual-energy X-ray absorptiometry (DXA) scan (aOR = 1.8; 95% CI 1.7, 2.0), and skilled nursing facility care utilization (aOR = 1.8; 95% CI 1.6, 2.1). The factors most strongly associated with restart of osteoporosis therapy were: having a DXA scan (aOR = 9.9; 95% CI 7.7, 12.6), sustaining a fragility fracture (aOR = 2.8; 95% CI 1.8, 4.5), and an osteoporosis or osteopenia diagnosis (aOR = 2.5; 95% CI 2.0, 3.1). Our national evaluation of bisphosphonate discontinuation showed that an increasing proportion of patients on long-term bisphosphonate therapy discontinue medications. The factors associated with discontinuation of alendronate were primarily related to worsening of overall health status, whereas traditional factors associated with worsening bone health were associated with restarting osteoporosis medication. © 2019 American Society for Bone and Mineral Research.
“They were just waiting for me to mess up”: A critical discourse analysis of immigrant Latinx teens' perceptions of power dynamics
Authors: Merino Yesenia , Thomas Tainayah , Lightfoot Alexandra , Eng Eugenia , Simán Florence , Thatcher Kari , Chapman Mimi
Published: November 2019

This paper explores Latinx adolescents' perceptions of power dynamics with authority around them. We seek to inform how community‐based professionals engage with and seek to understand members of this population. We conducted a critical discourse analysis of data collected during a community action photovoice project with 13 Latinx adolescents living in a metropolitan region of the southeastern United States. Participants felt they were under greater surveillance scrutiny by authority figures in social and academic spaces than their non‐Latino peers. They discussed ways their movements were at times constrained because others presumed they were deviant, and how that affected their identity development. Judgments and assumptions held by both powerful adults and oppressed groups alike serve to reinscribe social stratification that places Latinx adolescents at a power disadvantage relative to their white peers. These experiences and understandings of power relations shape the circuitous racial dispossession of youth.
The Impact of Time‐Keeping Direction on Compensatory Consumption: The Role of Perceived Resource Deficiency
Authors: Kapoor Ankur , Tripathi Sanjeev
Published: November 2019

Time is a scarce resource, and time‐keeping has become a common part of our lives. This research investigates the impact of exposure to a specific direction of time‐keeping on resource deficiency perception and on compensatory consumption of calories. Results from four studies show that exposure to downward time‐keeping (e.g., 60→1 s), compared to upward time‐keeping (e.g., 1→60 s), results in a higher perceived resource deficiency, leading to a higher preference, consumption, and choice of caloric foods. The effect is attenuated for evaluation of calorie‐lean foods, or by recalling instances of resourcefulness, or when time is not a resource (as in the case of waiting). Related alternate explanations are addressed. This research is the first to identify a novel antecedent of resource deficiency (i.e., time‐keeping direction), and to elicit an unexplored aspect of temporal cognition, that exposure to direction of time‐keeping can influence compensatory consumption in an unrelated domain. These findings contribute to the literature on temporal cognition and resource deficiency and may inspire further research in these domains.
Comparing laparoscopic and open pancreaticoduodenectomy in patients with pancreatic head cancer: oncologic outcomes and inflammatory scores
Authors: Choi Munseok , Hwang Ho Kyoung , Rho Seoung Yoon , Lee Woo Jung , Kang Chang Moo
Published: November 2019

Background

Both the technical and oncological safety of laparoscopic pancreaticoduodenectomy (LPD) remain controversial in treating pancreatic head cancer. We evaluated the oncologic benefit of LPD and compared the inflammatory score between LPD and open pancreaticoduodenectomy (OPD).

Methods

From January 2014 to March 2019, 61 patients with standard PD not combined with other organ resection were finally enrolled in this study. Among these patients, 27 underwent LPD and 34 underwent OPD (registered on 16 July 2019, and registration number is 2019‐1411‐001).

Results

The estimated blood loss (EBL) for the LPD group was less than that of the OPD group (P = 0.003). The operation time was similar, as was the incidence of complications such as postoperative fistula, delayed gastric emptying. Overall survival was not different between LPD and OPD (44.62 vs. 45.29 months, P = 0.223). However, a significant improvement in disease‐free survival (DFS) was seen in the LPD group (34.19 vs. 23.27 months, P = 0.027). No statistically significant differences were found in terms of the postoperative change in inflammatory scores and differentiated white blood cell counts.

Conclusions

LPD is not only safe and feasible in pancreatic head cancer patients but is associated with a reduced amount of EBL, favorable DFS.
Embryonic ontogeny of three species of Horned Frogs, with a review of early development in Ceratophryidae
Authors: Grosso Jimena , Baldo Diego , Costa Carolina Salgado , Natale Guillermo S. , Candioti Florencia Vera
Published: November 2019

Horned Frogs of the family Ceratophryidae are conspicuous anurans represented by three endemic South American genera. Most ceratophryids inhabit semiarid environments, but three species of Ceratophrys occupy tropical or temperate humid areas. Several morphological and behavioral characters of larvae and adults are conserved across the family. Based on examination of specimens and accounts in the literature, the embryonic development of C. ornata, C. cranwelli, and the monotypic genus Chacophrys are described and compared with that of species of Lepidobatrachus. Ceratophryid embryos share a suite of morphological features and heterochronic shifts during development. Most features, such as gill structure, ciliation, early hatching, and precocious differentiation of the gut and hind limbs, are shared by all the species regardless the differences in the habitats that occupy. This is consistent with previous observations of some adult characters, and likely supports the hypothesis of an early diversification of ceratophryids in semiarid environments. Other embryonic features, such as the morphology and ontogeny of the oral disc and digestive tract, are correlated with larval feeding habits and vary within the family. The evolutionary and ecological significance of some conserved characters (e.g., gastrulation pattern, Type‐A adhesive glands) and other taxon‐specific features (e.g., nasal appendix) remain to be explored in the group.
The emerging role of Hippo signaling in neurodegeneration
Authors: Sahu Manas Ranjan , Mondal Amal Chandra
Published: November 2019

Neurodegeneration refers to the complex process of progressive degeneration or neuronal apoptosis leading to a set of incurable and debilitating conditions. Physiologically, apoptosis is important in proper growth and development. However, aberrant and unrestricted apoptosis can lead to a variety of degenerative conditions including neurodegenerative diseases. Although dysregulated apoptosis has been implicated in various neurodegenerative disorders, the triggers and molecular mechanisms underlying such untimely and faulty apoptosis are still unknown. Hippo signaling pathway is one such apoptosis‐regulating mechanism that has remained evolutionarily conserved fromDrosophilato mammals. This pathway has gained a lot of attention for its tumor‐suppressing task, but recent studies have emphasized the soaring role of this pathway in inflaming neurodegeneration. In addition, strategies promoting inactivation of this pathway have aided in the rescue of neurons from anomalous apoptosis. So, a thorough understanding of the relationship between the Hippo pathway and neurodegeneration may serve as a guide for the development of therapy for various degenerative diseases. The current review focuses on the mechanism of the Hippo signaling pathway, its upstream and downstream regulatory molecules, and its role in the genesis of numerous neurodegenerative diseases. The recent efforts employing the Hippo pathway components as targets for checking neurodegeneration have also been highlighted.
Multi‐century drought variability in the southern Min Mountains
Authors: Yan Xiaoya , Deng Yang , Fan Haowen , Su Jiajia , Gao Linlin , Gou Xiaohua
Published: November 2019

Information on moisture variability is important for climate adaptation and planning, which is urgently needed for the Jiuzhaigou County after it was hit by a magnitude 7.0 earthquake in August 2017, resulting in potential interactions between the earth surface processes and the hydroclimate. To study the regional hydroclimatic history beyond instrumental records, the first tree‐ring hydroclimate reconstruction, based on Pinus tabuliformis, was conducted in the southern Min Mountains, which is situated close to the areas affected by the Jiuzhaigou earthquake. The reconstruction, spanning from 1684 to 2017, explained 59% of the variance for May–August standardized precipitation evapotranspiration index at a 12‐month scale during 1962–2017. The recent drought, which occurred from 1992 to 2017 was the longest in duration, largest in magnitude, and had the second highest intensity. The most severe single year drought occurred in 1824, which was lower than the long‐term mean by 4σ and affected several regions in and around the Northeast Qinghai‐Tibet Plateau. The drought reconstruction was consistent with other moisture reconstructions, but dissimilar were also exist during some periods. There was a significant correlation between drought reconstruction and sea surface temperature over many oceans. However, the correlations were unstable over time. This study suggests the importance of developing a density tree‐ring network to identify the spatial and temporal drought variability, as well as long‐term record for understanding regional climate dynamics.
Postoperative Feeding Guidelines Improve Outcomes in Surgical Infants
Authors: Shakeel Fauzia , Newkirk Melanie , Sellers Austin , Shores Darla R.
Published: November 2019

Background

Early introduction of enteral nutrition (EN) in postoperative infants improves intestinal adaptation, reducing the risk of intestinal failure–associated liver disease (IFALD). Our objective was to determine whether guideline use reduces feeding variability and improves outcomes in the neonatal intensive care unit (NICU).

Methods

In a cohort study, surgical infants at risk for IFALD were evaluated pre and post implementation of feeding guidelines at 2 NICUs. A total of 167 guideline infants (2013–2018) were compared with 242 historical controls (2007–2013). Adherence was measured with timing and volume of initial postoperative feed. Primary outcomes were IFALD incidence and time to reach 50% and 100% of energy from EN. Secondary outcomes were parenteral nutrition (PN) days, postoperative necrotizing enterocolitis (NEC), central line–associated bloodstream infection (CLABSI), and length of stay (LOS).

Results

Moderate IFALD decreased from 32% to 20% (P = .005) in the guideline group. Time to achieve 50% and 100% energy from EN was decreased from medians of 8 to 5 and 28 to 21 days, respectively (P < .001). There was an overall decrease in PN use from 41 to 29 days (P = .002), CLABSI incidence from 25% to 5% (P < .001), and LOS from 70 to 53 days (P = .030). Once stratified by diagnosis, infants with NEC showed greatest improvement and reduction in IFALD from 67% to 42% (P = .045). With no difference in postoperative NEC (P = .464).

Conclusion

Early standardized postoperative EN guidelines in intestinal‐surgery infants was associated with improved outcomes, including faster achievement of feeding goals and reduced IFALD severity, especially in infants with NEC.
Assessment of patient experiences following total sacrectomy for primary malignant sacral tumors: A qualitative study
Authors: Wang Yifei , Liang Weiming , Qu Shan , Zhang Yidan , Du Zhiye , Ji Tao , Qu Huayi , Gorlick Richard , Guo Wei
Published: November 2019

Background and Objectives

Few reports have investigated patient experiences following total en bloc sacrectomy. The aims of this study were to obtain a deeper understanding of patients’ personal experiences, needs, and satisfaction with the treatment to reveal areas in which perioperative and long‐term patient care can be improved.

Methods

A qualitative design was applied to examine patient experiences and supportive care needs. Patients treated between 2007 and 2017 were identified from our institutional database.

Results

A total of 28 survivors were interviewed (13 females, age 13‐75 years). Eight themes were identified: the effect of surgery on patients’ (a) daily lives, (b) social activities, (c) work or school activities, (d) and family lives; (e) acceptance of ostomy surgery; (f) need for guidance regarding long‐term rehabilitation; (g) satisfaction with the medical services provided in the hospital; and (h) satisfaction with the treatment outcomes.

Conclusion

Total en bloc sacrectomy can yield satisfactory oncological outcomes; however, the procedure is a life‐changing event for patients and their families. Physicians must provide long‐term support and guidance after surgery to enable patients to fully understand and cope with the changes in their lives.
An Unusual First‐Trimester Ultrasound Presentation of the Acrania‐Anencephaly Sequence
Authors: Sepulveda Waldo , De La Maza Francisco , Meagher Simon
Published: November 2019

A previously unrecognized first‐trimester presentation of the acrania‐anencephaly sequence is described. Ultrasound features included a constriction ring around the external base of the developing skull and an enlarged globular head, resembling a Turkish turban, with large cystic spaces replacing the brain. This constellation of findings was noted in 3 first‐trimester fetuses. In 2 of them, it was possible to identify the amniotic membrane attached to the constriction ring. One case presented with anencephaly and fetal demise at 16 weeks. The other 2 women terminated the pregnancies and aborted anencephalic fetuses. This subtype of the acrania‐anencephaly sequence could represent an earlier segmental rupture of the amnion, which subsequently entraps the developing fetal skull.
Seventy‐MHz Ultrasound Detection of Early Signs Linked to the Severity, Patterns of Keratin Fragmentation, and Mechanisms of Generation of Collections and Tunnels in Hidradenitis Suppurativa
Authors: Wortsman Ximena , Calderon Perla , Castro Ariel
Published: November 2019

Objectives

To test the capability of 70‐MHz ultrasound for detecting initial ultrasound signs of hidradenitis suppurativa (HS) linked to severity.

Methods

A cross‐sectional study of the ultrasound images of patients with HS was conducted and compared with a healthy control group. Detection and identification of early subclinical ultrasound signs in the lesional and perilesional areas of the HS cases in comparison with the control group were performed. Statistical analyses included mean, dispersion measures, the Kruskal‐Wallis test, and bivariate and multivariate ordered logistic regression studies. Significance was assessed at P < .05.

Results

A total of 139 patients with HS met the criteria and showed abnormalities of the hair follicles such as a curved shape, ballooning, and protrusion into pseudocysts, collections, or tunnels (donor of keratin sign). Significant increases in the sizes of the hair follicles and hair shafts were found in HS cases. The following ultrasound signs were significantly linked to severity: a connecting band between the base of adjacent hair follicles (bridge sign), a fragment of the hair shaft extruding through a dilated hair follicle (sword sign), and retained cylindrical fragments of keratin in the dermis. Two patterns of fragmentation of the keratin were detected: multifragment and cylindrical.

Conclusions

Ultrasound can detect early HS signs that are significantly linked to severity and 2 types of fragmentation of the keratin, which could support the generation and perpetuation of the fluid collections and tunnels. These ultrasound signs can help prompt diagnosis and management, the development and testing of medications, and the measure of treatment outcomes in HS.
A model of viscoelastoplasticity in the cochleo‐saccular membranes
Authors: Pender Daniel J.
Published: November 2019

Introduction

Variations in the distensile behavior of the cochleo‐saccular vestibular membranes may contribute to lesion evolution of endolymphatic hydrops in Meniere's disease. Such variation may be mediated through membrane viscoelastoplasticity. This feature may provide insight into the distensile process at work in these membranes.

Hypothesis

A precipitated collagen matrix can provide a suitable in vitro model of viscoelastoplasticity in cochleo‐saccular vestibular membranes.

Methods

An in vitro extra‐cellular matrix of precipitated collagen was evaluated as a model of suspected viscoelastoplastic behavior in the cochleo‐saccular vestibular membranes. The structure of the precipitated collagen was assessed for its similarity to that of the basal lamina of the pars inferior vestibular membranes. The biomechanics of this matrix were scrutinized for evidence of viscoelastoplastic distensile properties.

Results

A matrix of precipitated collagen was found to exhibit a mesh‐like fibrous structure similar to that of collagen found in the basilar lamina of the cochleo‐saccular vestibular membranes. This matrix was also found to exhibit a sigmoid distensile response as well as strain rate sensitivity, both of which are characteristic properties of polymer viscoelastoplasticity.

Conclusions

An in vitro matrix of precipitated collagen appears to provide a suitable model that can account for variations in the distensile behavior of the cochleo‐saccular vestibular membranes. The model exhibits viscoelastoplasticity and may have heuristic value in the analysis of lesion evolution in Meniere's disease.

Level of Evidence

6
Nanodosimetric quantities and RBE of a clinically relevant carbon‐ion beam
Authors: Dai Tianyuan , Li Qiang , Liu Xinguo , Dai Zhongying , He Pengbo , Ma Yuanyuan , Shen Guosheng , Chen Weiqiang , Zhang Hui , Meng Qianqian , Zhang Xiaofang
Published: November 2019

Purpose

Although carbon‐ion therapy is becoming increasingly attractive to the treatment of tumors, details about the ionization pattern formed by therapeutic carbon‐ion beam in tissue have not been fully investigated. In this work, systematic calculations for the nanodosimetric quantities and relative biological effectiveness (RBE) of a clinically relevant carbon‐ion beam were studied for the first time.

Methods

The method combining both track structure and condensed history Monte Carlo (MC) simulations was adopted to calculate the nanodosimetric quantities. Fragments and energy spectra at different positions of the radiation field of a clinically relevant carbon‐ion pencil beam were generated by means of MC simulations in water. Nanodosimetric quantities such as mean ionization cluster size (), the first moment of conditional cluster size (), cumulative probability (), and conditional cumulative probability () at these positions were then acquired based on the spectra and the pre‐calculated nanodosimetric database created by track structure MC simulations. What’s more, a novel approach to calculate RBE based on the said nanodosimetric quantities was introduced. The RBE calculations were then conducted for the carbon‐ion beam at different water‐equivalent depths.

Results

Lateral distributions at various water‐equivalent depths of both the nanodosimetric quantities and RBE values were obtained. The values of , , , and were 1.49, 2.67, 0.30, and 0.38 at the plateau at the beam central axis and maximized at 2.79, 5.69, 0.47, and 0.68 at the depths around the Bragg peak, respectively. At a given depth, and decreased laterally with increasing the distance to the beam central axis while and remained nearly unchanged at first and then decreased except for at the rising edge of the Bragg peak. The calculated RBE values were 1.07 at the plateau and 3.13 around the Bragg peak. Good agreement between the calculated RBE values and experimental data was obtained.

Conclusions

Different nanodosimetric quantities feature the track structure of therapeutic carbon‐ion beam in different manners. Detailed ionization patterns generated by carbon‐ion beam could be characterized by nanodosimetric quantities. Moreover the combined method adopted in this work to calculate nanodosimetric quantities is not only valid but also convenient. Nanodosimetric quantities are significantly helpful for the RBE calculations in carbon‐ion therapy.
Strong intramolecular hydrogen bonds and steric effects involving C═S groups: An NMR and computational study
Authors: Elias Rita S. , Saeed Bahjat A. , Kamounah Fadhil S. , Duus Fritz , Hansen Poul Erik
Published: November 2019

A number of 5‐acyl rhodanines and thiorhodanines with bulky acyl groups (pivaloyl and adamantoyl), not previously available, have been synthesized. The compounds are shown to exist in the enol form. Structures have been calculated using both the MP2 approach and the B3LYP‐GD3BJ functional and the 6‐311++G(d,p) basis set. Hydrogen bond energies are estimated by subtracting energies of a structure with the OH group turned 180° from those of the intramolecularly hydrogen‐bonded one. Properties such as OH chemical shifts, two‐bond isotope effects on13C chemical shifts, electron densities at the bond critical point from atoms in molecules analysis, and the hydrogen bond energies show that the sterically hindered compounds have stronger hydrogen bonds than methyl or isopropyl derivatives. The combination of oxygen and sulfur derivatives enables a detailed analysis of hydrogen bond energies.
An FFT‐based method for computing weighted minimal surfaces in microstructures with applications to the computational homogenization of brittle fracture
Authors: Schneider Matti
Published: November 2019

Cell formulae for the effective crack resistance of a heterogeneous medium obeying Francfort‐Marigo's formulation of linear elastic fracture mechanics have been proved recently, both in the context of periodic and stochastic homogenization. This work proposes a numerical strategy for computing the effective, possibly anisotropic, crack resistance of voxelized microstructures using the fast Fourier transform (FFT). Based on Strang's continuous minimum cut—maximum flow duality, we explore a primal‐dual hybrid gradient method for computing the effective crack resistance, which may be readily integrated into an existing FFT‐based code for homogenizing thermal conductivity. We close with demonstrative numerical experiments.
Symptom prevalence differences of depression as measured by BDI and PHQ scales in the Look AHEAD study
Authors: Vaughan Elizabeth M. , Johnston Craig A. , Moreno Jennette P. , Cheskin Lawrence J. , Dutton Gareth R. , Gee Molly , Gaussoin Sarah A. , Knowler William C. , Rejeski W. Jack , Wadden Thomas A. , Yanovski Susan Z. , Foreyt John P. ,   The Look AHEAD Research Group
Published: November 2019

Objective

To compare depressive symptomatology as assessed by two frequently used measures, the Beck Depression Inventory (BDI‐1A) and Patient Health Questionnaire (PHQ‐9).

Methods

Investigators conducted a cross‐sectional secondary analysis of data collected as part of the follow‐up observational phase of the Look AHEAD study. Rates of agreement between the BDI‐1A and PHQ‐9 were calculated, and multivariable logistic regression was used to examine the relationship between differing depression category classifications and demographic factors (ie, age, sex, race/ethnicity) or comorbidities (ie, diabetes control, cardiovascular disease).

Results

A high level of agreement (κ = 0.47, 95% CI (0.43 to 0.50)) was found in the level of depressive symptomatology between the BDI‐1A and PHQ‐9. Differing classifications (minimal, mild, moderate, and severe) occurred in 16.8% of the sample. Higher scores on the somatic subscale of the BDI‐1A were significantly associated with disagreement as were having a history of cardiovascular disease, lower health‐related quality of life, and minority racial/ethnic classification.

Conclusions

Either the BDI‐1A or PHQ‐9 can be used to assess depressive symptomatology in adults with overweight/obesity and type 2 diabetes. However, further assessment should be considered in those with related somatic symptoms, decreased quality of life, and in racial/ethnic minority populations.
Numerical analysis of residual stresses on microscale and mesoscale in hot bulk forming parts under specific cooling
Authors: Uebing Sonja , Brands Dominik , Scheunemann Lisa , Sarhil Mohammad , Niekamp Rainer , Kock Christoph , Chugreev Alexander , Behrens Bernd-Arno , Schröder Jörg
Published: November 2019

The adjustment of targeted residual stress states is important in order to improve the properties of a component. Here, especially hot forming processes offer a meaningful potential since a number of parameters such as deformation state, temperature profile or cooling media can be adapted independently. This publication presents first simulation steps for the calculation of residual stresses on microscale and mesoscale. As a first application, the microscopic phase transformation from austenite to martensite due to a cooling process is considered. The arising mesoscopic eigenstrain distributions are used in the solution of an elasto‐plastic two‐scale boundary value problem to gain resulting residual stress states.
Risk of adverse birth outcomes after maternal varenicline use: A population‐based observational study in Denmark and Sweden
Authors: Pedersen Lars , Petronis Kenneth R. , Nørgaard Mette , Mo Jingping , Frøslev Trine , Stephansson Olof , Granath Fredrik , Kieler Helle , Sørensen Henrik Toft
Published: November 2019

Purpose

To examine risks of adverse birth outcomes in women exposed to varenicline during pregnancy.

Methods

Population‐based cohort study including live‐born and stillborn infants from 1 May 2007 to 31 December 2012. Data from health and administrative registries in Denmark and Sweden, two Nordic countries with universal health care and routine registration of major life and health events. Infants were allocated to three cohorts on the basis of their in utero exposure: the exposed cohort consisting of infants whose mothers were dispensed varenicline during pregnancy; the unexposed cohort comprised infants unexposed to varenicline, but exposed to maternal smoking in utero; and the reference cohort of infants unexposed to varenicline and maternal smoking in utero.

The primary outcome was major congenital malformations diagnosed from birth to the first year of life. Secondary outcomes included stillbirth, fetal growth restriction (measured as small for gestational age), preterm delivery, preterm premature rupture of membranes, and sudden infant death syndrome. We estimated the prevalence of the primary outcome and secondary outcomes in the exposed, unexposed, and reference cohorts. Prevalence odds ratios with 95% confidence intervals (CIs) were computed using logistic regression with propensity score adjustment to control for potential confounders.

Results

The combined cohort included 885 185 infants. Of these, 335 infants were exposed, 78 412 were unexposed, and the remaining 806 438 comprised the reference cohort. Major congenital malformations were detected among 3.6% of exposed infants, 4.3% of unexposed infants, and 4.2% of infants in the reference cohort. The propensity score–adjusted prevalence odds ratio for major congenital malformations was 0.80 (95% CI, 0.45‐1.42) for exposed vs unexposed infants. All analyses of primary and secondary outcomes comparing exposed with unexposed infants yielded odds ratio estimates below or close to unity.

Use of varenicline during pregnancy does not appear to increase the risk of major congenital malformations or other adverse birth outcomes.
Silane‐Modified Graphene Oxide as a Compatibilizer and Reinforcing Nanoparticle for Immiscible PP/PA Blends
Authors: Kol Adi , Kenig Samuel , Naveh Naum
Published: November 2019

Graphene oxide (GO) and aminosilane (AS)‐modified GO (GOAS) have been studied as possible compatibilizers for immiscible polyblends. Ideally, for localization of nanoparticles (NPs) at the interface, the thermodynamics of the constituents and mixing dynamics have to be tailored and controlled, respectively. Accordingly, a variety of oxidation levels (10%–40%) of GOs were prepared using Hummer's method and further modified by AS. Experimental results indicated that the GO goes through thermal reduction (above 200°C) during blending and reduced GO (rGO) is produced. The GOAS moderated the reduction reaction and stabilized the GO. The thermodynamic wetting coefficient of PP (polypropylene)/PA (polyamide)/rGOAS system was shown to drive the rGOAS from the PP phase to the blend's interface during time‐controlled blending. The localization of the rGOAS at the interface resulted in significant enhancement of mechanical properties using only 2–3 wt% of rGOAS. Over 100% enhancement in strength, 40% enhancement in modulus, and 30% in toughness were shown, compared with neat PP/PA. Reduced GOAS and its location at the interface resulted in a third glass transition temperature (Tg), in addition to the PP and PA respective Tgs. Rheological percolation at 2–3 wt% rGOAS (20%) supports the localization of rGOAS at the interface. Storage moduli increase with interfacial tension, in accordance to the rheological models. POLYM. ENG. SCI., 60:180–191, 2020. © 2019 Society of Plastics Engineers
A simple model for the semicontinuous heterophase polymerization: Ethyl methacrylate as a case example
Authors: Alvarado Abraham G. , Hernández‐Montelongo Rosaura , Rabelero Martin , Pérez‐Carrillo Lourdes A. , Puig Jorge E. , López‐Serrano Francisco
Published: November 2019

A simple but comprehensive model considering homogeneous and micellar nucleation, coagulation, entry of radicals to particles and to micelles and radicals' exit from particles, is presented. The model is validated, in a starved semicontinuous heterophase polymerization of ethyl methacrylate, at three monomer addition rates. The model accurately describes the overall and instantaneous conversion, the average particle density and diameter, and the number and weight average molar masses evolutions over time. It is found that even though the average number of radicals is much smaller than 0.5, the system is not 0‐1. An empirical function was used to describe the gel effect. The homogeneous nucleation was the prevailing mechanism for particle formation and large exit rates of radicals were observed. POLYM. ENG. SCI., 60: 223–232, 2019. © 2019 Society of Plastics Engineers
A theory‐driven psycho‐educational intervention programme for gynaecological cancer patients during treatment trajectory: A randomised controlled trial
Authors: Chow Ka Ming , Chan Carmen W.H. , Choi Kai Chow , Siu Ka Yi , Fung Hedy K.S. , Sum Wai Man
Published: November 2019

Objective

This study aims to evaluate the effects of a theory‐driven psycho‐educational intervention programme on uncertainty in illness, anxiety, and sexual functioning in a cohort of Chinese patients with gynaecological cancer.

Methods

Women with newly diagnosed gynaecological cancer (n = 202) received either a four‐session, 12‐week‐long, culturally appropriate psycho‐educational intervention programme (n = 102) or attention from intervener (n = 100) in a two‐group randomised controlled trial. Patient‐reported measures included Chinese version of Mishel's Uncertainty in Illness Scale (C‐MUIS), Hospital Anxiety and Depression Scale (HADS)–Anxiety subscale, and Sexual Function‐Vaginal Changes Questionnaire (SVQ). Data regarding uncertainty in illness and anxiety were collected at baseline and postintervention, while data on sexual functioning were collected postintervention.

Results

Patients receiving psycho‐educational intervention reported significantly greater reductions in ambiguity, inconsistency, and overall uncertainty in illness, as measured by C‐MUIS (P < .01). They were also more likely to be sexually active (P = .037), report their partners having greater sexual interest (P = .008), and perceive a significantly greater level of intimacy (P = .001) in the SVQ.

Conclusions

Given the growing population of gynaecological cancer survivors and the universal side effects of the disease and its related treatments, the established design and content of the psycho‐educational intervention programme should be incorporated into routine clinical practice.
Prion protein—Semisynthetic prion protein (PrP) variants with posttranslational modifications
Authors: Hackl Stefanie , Becker Christian F.W.
Published: November 2019

Deciphering the pathophysiologic events in prion diseases is challenging, and the role of posttranslational modifications (PTMs) such as glypidation and glycosylation remains elusive due to the lack of homogeneous protein preparations. So far, experimental studies have been limited in directly analyzing the earliest events of the conformational change of cellular prion protein (PrPC) into scrapie prion protein (PrPSc) that further propagates PrPC misfolding and aggregation at the cellular membrane, the initial site of prion infection, and PrP misfolding, by a lack of suitably modified PrP variants. PTMs of PrP, especially attachment of the glycosylphosphatidylinositol (GPI) anchor, have been shown to be crucially involved in the PrPSc formation. To this end, semisynthesis offers a unique possibility to understand PrP behavior invitro and invivo as it provides access to defined site‐selectively modified PrP variants. This approach relies on the production and chemoselective linkage of peptide segments, amenable to chemical modifications, with recombinantly produced protein segments. In this article, advances in understanding PrP conversion using semisynthesis as a tool to obtain homogeneous posttranslationally modified PrP will be discussed.
Co‐Electrodeposition of Sn‐Doped TiO2 Electron‐Transporting Layer for Perovskite Solar Cells
Authors: Su Tzu-Sen , Wei Tzu-Chien
Published: November 2019

Sn‐doped TiO2 films are successfully co‐electrodeposited from a single bath containing TiCl3 and SnCl2, providing a new and facile method for the preparation of metal‐doped TiO2 thin films. Through systematic examinations on the film morphologies, optical, and electronic properties of the electrodeposited TiO2 films with different Sn‐doping amount, it is utilized as the electron‐transporting layer (ETL) in a perovskite solar cell (PSC). The photovoltaic performance of PSCs equipped with electrodeposited Sn‐doped TiO2 ETL is improved considerably, which is mainly attributed to the increased carrier concentration and improved electron extraction capability due to Sn‐doping. Currently, power conversion efficiency of planar‐type PSC using 5% (molar ratio) Sn‐doped TiO2 ETL achieves 16.8%, corresponding to a 9.8% improvement when comparing with the sample using pure TiO2 (15.3%).
Identification of two novel trace impurities in mobile phases prepared with commercial formic acid
Authors: Bakota Erica L. , Levine Robert A.
Published: November 2019

Rationale

While liquid chromatography/high‐resolution mass spectrometry (LC/HRMS) is a versatile analytical technique, it is also sensitive to trace impurities. These impurities may come from a variety of sources, including reagents, solvents, and the sample matrix itself. Impurities in reagents may become concentrated and elute as peaks when a gradient method is used, and these peaks may cause suppression of peaks of interest both in the electrospray source, as well as in the C‐trap in systems that contain one.

Methods

We observed a notable increase in the size of several impurity peaks in a reversed‐phase gradient method upon switching suppliers of formic acid. We used LC/HRMS to separate and fragment these impurity compounds and assign probable formulae.

Results

The mass spectra were compared with those of compounds found in the literature with the same formulae, and the observed peaks were matched to two amine compounds not previously reported as impurities in LC/MS systems: trihexylamine and N‐methyldihexylamine. The identities were confirmed by high‐resolution accurate mass and retention time matching against commercially available standards of these compounds.

Conclusions

To the best of our knowledge, this is the first time that trihexylamine and N‐methyldihexylamine have been reported in such systems. We hypothesize that these are derived from the formic acid manufacturing process and recommend that users monitor purchased formic acid for the presence of impurities.
Retention time shift analysis and correction in chemical isotope labeling liquid chromatography/mass spectrometry for metabolome analysis
Authors: Li Yunong , Li Liang
Published: November 2019

Rationale

In chemical isotope labeling (CIL) liquid chromatography/mass spectrometry (LC/MS) metabolome analysis, the peak pairs of the same metabolite detected from different samples are aligned according to their mass and retention time (RT). Any RT shift of a peak pair in one of the sample files that falls outside the tolerance window will result in misalignment of the pair as a different metabolite. Thus, determination and correction of any significant RT shift are important to ensure the generation of high‐quality metabolome results.

Methods

In CIL LC/MS, the heavy‐isotope‐labeled pooled sample is spiked into all light‐isotope‐labeled individual samples. As a result, in the analysis of labeled samples of the same type, many common metabolites are detectable with high intensity in all LC/MS runs. We have developed a method to select a few of these metabolites as internal RT reference markers to check the occurrence of any RT shift in an LC/MS run. If a significant shift is found, an expanded list of these markers with their RT values covering the entire LC RT window is selected to serve as internal RT calibrants to recalibrate the chromatogram to correct any RT shift.

Results

We developed a software program in R to perform RT check (RTC) and recalibration (RT‐calib). This program can quickly determine the occurrence of any RT shift falling outside a user‐defined threshold in an LC/MS run, thereby triggering a timely intervention to correct the problem (e.g., fixing a small leak or changing a column). In the analysis of 278 dansylation LC/MS runs of human urine samples, we show that the RT values can be corrected to be within a 30‐second window.

Conclusions

An RT‐check method and program tailored to CIL LC/MS metabolome analysis have been developed for quick detection and correction of RT shifts during the course of running many metabolome samples.
Biomechanical comparison of double versus triple button reconstruction techniques in patients with acromioclavicular joint dislocation
Authors: Civan Osman , Atmaca Halil , Uğur Levent
Published: November 2019

Background

Although many techniques are used to treat the acromioclavicular (AC) joint dislocations, minimal invasive or arthroscopic coracoclavicular ligament reconstructions became popular recently. In this study, authors compared the biomechanical results of double versus triple button reconstruction techniques.

Methods

Three‐dimensional solid modeling of the shoulder girdle was carried out using virtual finite element modeling. AC joint dislocation was applied to the reference model, and these models were repaired by double and triple button techniques, respectively. Maximum equivalent stresses on buttons and sutures as well as displacements and reaction forces on AC joint were evaluated.

Results

Triple button model was more stable during flexion and abduction when compared with double button technique.

Conclusion

Mimicking conoid ligament has a crucial mission more particularly against resistance during frontal plane actions, but the absence of the trapezoid ligament causes increasing the posterior displacement of the distal clavicle during the flexion of GH joint.