bluuebunny/crossref_metadata_2025 huggingface dataset:
Differential Adaptive Response of Growing Bones From Two Female Inbred Mouse Strains to Voluntary Cage‐Wheel Running
Authors: Schlecht Stephen H. , Ramcharan Melissa A. , Yang Yueqin , Smith Lauren M , Bigelow Erin MR , Nolan Bonnie T , Moss Drew E , Devlin Maureen J , Jepsen Karl J
Published: January 2018

The phenotypic response of bones differing in morphological, compositional, and mechanical traits to an increase in loading during growth is not well understood. We tested whether bones of two inbred mouse strains that assemble differing sets of traits to achieve mechanical homeostasis at adulthood would show divergent responses to voluntary cage‐wheel running. Female A/J and C57BL6/J (B6) 4‐week‐old mice were provided unrestricted access to a standard cage‐wheel for 4 weeks. A/J mice have narrow and highly mineralized femora and B6 mice have wide and less mineralized femora. Both strains averaged 2 to 9.5 km of running per day, with the average‐distance run between strains not significantly different (p = 0.133). Exercised A/J femora showed an anabolic response to exercise with the diaphyses showing a 2.8% greater total area (Tt.Ar, p = 0.06) and 4.7% greater cortical area (Ct.Ar, p = 0.012) compared to controls. In contrast, exercised B6 femora showed a 6.2% (p < 0.001) decrease in Tt.Ar (p < 0.001) and a 6.7% decrease in Ct.Ar (p = 0.133) compared to controls, with the femora showing significant marrow infilling (p = 0.002). These divergent morphological responses to exercise, which did not depend on the daily distance run, translated to a 7.9% (p = 0.001) higher maximum load (ML) for exercised A/J femora but no change in ML for exercised B6 femora compared to controls. A consistent response was observed for the humeri but not the vertebral bodies. This differential outcome to exercise has not been previously observed in isolated loading or forced treadmill running regimes. Our findings suggest there are critical factors involved in the metabolic response to exercise during growth that require further consideration to understand how genotype, exercise, bone morphology, and whole‐bone strength interact during growth. © 2018 The Authors. JBMR Plus is published by Wiley Periodicals, Inc. on behalf of the American Society for Bone and Mineral Research.
Yoink: An interaction‐based partitioning API
Authors: Zheng Min , Waller Mark P.
Published: January 2018

Herein, we describe the implementation details of our interaction‐based partitioning API (application programming interface) calledYoinkfor QM/MM modeling and fragment‐based quantum chemistry studies. Interactions are detected by computing density descriptors such as reduced density gradient, density overlap regions indicator, and single exponential decay detector. Only molecules having an interaction with a user‐definable QM core are added to the QM region of a hybrid QM/MM calculation. Moreover, a set of molecule pairs having density‐based interactions within a molecular system can be computed inYoink, and an interaction graph can then be constructed. Standard graph clustering methods can then be applied to construct fragments for further quantum chemical calculations. TheYoinkAPI is licensed underApache 2.0and can be accessed via yoink.wallerlab.org. © 2018 Wiley Periodicals, Inc.
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?
Authors: Johnson Sarah N. , Tschumper Gregory S.
Published: January 2018

The ClH⋯FH and FH⋯ClH configurations of the mixed HF/HCl dimer (where the donor⋯acceptor notation indicates the directionality of the hydrogen bond) as well as the transition state connecting the two configurations have been optimized using MP2 and CCSD(T) with correlation consistent basis sets as large as aug‐cc‐pV(5 + d)Z. Harmonic vibrational frequencies confirmed that both configurations correspond to minima and that the transition state has exactly one imaginary frequency. In addition, anharmonic vibrational frequencies computed with second‐order vibrational perturbation theory (VPT2) are within 6 cm−1 of the available experimental values and deviate by no more than 4 cm−1 for the complexation induced HF frequency shifts. The CCSD(T) electronic energies obtained with the largest basis set indicate that the barrier height is 0.40 kcal mol−1 and the FH⋯ClH configuration lies 0.19 kcal mol−1 below the ClH⋯FH configuration. While only modestly attenuating the barrier height, the inclusion of either the harmonic or anharmonic zero‐point vibrational energy effectively makes both minima isoenergetic, with the ClH⋯FH configuration being lower by only 0.03 kcal mol−1. © 2018 Wiley Periodicals, Inc.
Does the choice of the crystal structure influence the results of the periodic DFT calculations? A case of glycine alpha polymorph GIPAW NMR parameters computations
Authors: Szeleszczuk Łukasz , Pisklak Dariusz Maciej , Zielińska‐Pisklak Monika
Published: January 2018

Glycine is a common amino acid with relatively complex chemistry in solid state. Although several polymorphs (α, β, δ, γ, ε) of crystalline glycine are known, for NMR spectroscopy the most important is a polymorph, which is used as a standard for calibration of spectrometer performance and therefore it is intensively studied by both experimental methods and theoretical computation. The great scientific interest in a glycine results in a large number of crystallographic information files (CIFs) deposited in Cambridge Structural Database (CSD). The aim of this study was to evaluate the influence of the chosen crystal structure of α glycine obtained in different crystallographic experimental conditions (temperature, pressure and source of radiation of α glycine) on the results of periodic DFT calculation. For this purpose the total of 136 GIPAW calculations of α glycine NMR parameters were performed, preceded by the four approaches (“SP”, “only H”, “full”, “full+cell”) of structure preparation. The analysis of the results of those computations performed on the representative group of 34 structures obtained at various experimental conditions revealed that though the structures were generally characterized by good accuracy (R < 0.05 for most of them) the results of the periodic DFT calculations performed using the unoptimized structures differed significantly. The values of the standard deviations of the studied NMR parameters were in most cases decreasing with the number of optimized parameters. The most accurate results (of the calculations) were in most cases obtained using the structures with solely hydrogen atoms positions optimized. © 2018 Wiley Periodicals, Inc.
Red blood cell distribution width as a predictor of atrial fibrillation
Authors: Shao Qingmiao , Korantzopoulos Panagiotis , Letsas Konstantinos P. , Tse Gary , Hong Jiang , Li Guangping , Liu Tong
Published: January 2018

Background

Current evidence suggests that a higher red blood cell distribution width (RDW) may be associated with increased risk of atrial fibrillation (AF) development. Given that some controversial results have been published, we conducted a systematic review of the current literature along with a comprehensive meta‐analysis to evaluate the association between RDW and AF development.

Methods

We performed a systematic search of the literature using electronic databases (PubMed, Ovid, Embase, and Web of Science) to identify studies reporting on the association between RDW and AF development published until June 2016. We used both fix‐effects and random‐effects models to calculate the overall effect estimate. An I2 > 50% indicates at least moderate statistical heterogeneity. A sensitivity analysis and subgroup analysis were performed to find the origin of heterogeneity.

Results

A total of 12 studies involving 2721 participants were included in this meta‐analysis. The standardized mean difference in the RDW levels between patients with and those without AF development was 0.66 units (P < .05; 95% confidence interval 0.44‐0.88). A significant heterogeneity between the individual studies was observed (P < .05; I2 = 80.4%). A significant association between the baseline RDW levels and AF occurrence or recurrence following cardiac procedure or surgery was evident (SMD: 0.61; 95% confidence interval 0.33‐0.88; P < .05) with significant heterogeneity across the studies (I2 = 80.7%; P < .01).

Conclusions

Our comprehensive meta‐analysis suggests that higher levels of RDW are associated with an increased risk of AF in different populations.
Playing off the beat: Applying the jazz paradigm to psychotherapy
Authors: Johnson David Read
Published: January 2018

A jazz paradigm is applied to traditional psychotherapy practice, illuminating the links between psychotherapy and the Romantic aesthetic tradition, primarily in the centrality of concepts such as attunement. Modernist disruptions of realism during the early 20thcentury, such as jazz, elaborated dissonant and improvisational artistic impulses that brought new vitality to their art forms. The psychotherapeutic relationship also has potential avenues for multilevel and discrepant communication that open possibilities of freedom. However, the limitations imposed by the single channel nature of comprehended language, compared with the capacity of artistic media to express multiple sensory information simultaneously, remain the most significant obstacle to dimensionalizing the psychotherapeutic dialogue. Psychotherapy may have much to gain from embracing some of the concepts underlying the jazz aesthetic.
Making unformulated experience real through painting: Painting and psychoanalytic psychotherapy practice as two ways of making sense
Authors: Schwartz Karen M.
Published: January 2018

I contend that painting, like psychoanalytic psychotherapy, is an intersubjective process able to connect hearts and minds of painters and viewers alike, because the creative process of making a painting brings painters into more complex and more animated relationship with themselves. My own painting process is largely nonverbal. Interactions between me and my evolving artwork‐in‐process reveal experiences, thoughts, and feelings not yet formulated in words, and so, not available explicitly to conscious awareness until visual representation allows questions of meaning and intention to be thought about and elaborated in the usual, verbal sense. I describe how my particular painting practice provides an experiential frame for the creative process of self‐articulation that goes on in psychotherapy, as well as how the physical and mostly nonverbal dialogue experienced in the painting studio served as a source of listening attitudes and self‐regulation in my work with a patient's inhibited self‐expression and thwarted artistic ambitions.
Precision and Bias of Target‐Controlled Prolonged Propofol Infusion for General Anesthesia and Sedation in Neurosurgical Patients
Authors: Cortegiani Andrea , Pavan Alessandra , Azzeri Fabio , Accurso Giuseppe , Vitale Filippo , Gregoretti Cesare
Published: January 2018

The aim of this study was to determine the relationship, precision, and bias of a propofol target‐controlled infusion (TCI) system during prolonged infusion in neurosurgical patients. We retrospectively included patients undergoing general anesthesia for elective neurosurgical removal of brain tumors and postoperative sedation in the intensive care unit over a period of 3 months. TCI of propofol (Diprifusor – Marsh model) and remifentanil were used for general anesthesia and sedation. We compared propofol blood concentration (Cmeas) measured by liquid chromatography–mass spectroscopy with predicted concentrations (Cpred) by the TCI system at 40 minutes (T0), 2 hours (T1), and 4 hours (T2) and every 8 hours after starting the drug infusion and at the time of emergence from sedation. Ninety‐four paired determinations of Cmeas and Cpred from 15 adult ASA I patients (8 men and 7 women 54.9 ± 13 years old; BMI, 24 ± 3.2 kg/m2) were analyzed. Mean duration of drug administration was 31 ± 6 hours. The coefficient of determination (R2) of the linear regression model for the relationship of Cmeas and Cpred was 0.43. At the time of emergence, Cmeas was 0.5 ± 0.18 μg/mL. The bias of the TCI system (median performance error) was ‐34.7%, and the precision (median absolute performance error) was 36%. Wobble and divergence were 0.3% and 12.3%, respectively. This study found bias of the system out of the range of tolerability and showed a high tendency toward overestimation. These findings may lead to undersedation when propofol TCI is used for prolonged infusion.
Discounting Humanity: When Consumers are Price Conscious, Employees Appear Less Human
Authors: Henkel Alexander P. , Boegershausen Johannes , Hoegg JoAndrea , Aquino Karl , Lemmink Jos
Published: January 2018

Consumers are frequently bombarded with a myriad of marketing tactics. One tactic regularly employed by thrift‐oriented brands is to highlight low prices, discounts, and sales promotions. When consumers encounter these low‐price signals, they may adopt a price conscious mentality, that is, a singular focus on getting the cheapest deal. A price conscious mentality is likely beneficial for consumers, as it helps them save money. However, it is also possible that it has negative implications, particularly for how consumers perceive and interact with other human beings in the marketplace, such as customer service employees. The current research addresses this issue by investigating how consumers’ price conscious mentality impacts their perceptions of employees’ humanity. Results from four studies demonstrate that a price conscious mentality can lead consumers away from fully recognizing the human qualities of employees. The findings also suggest that this subtle form of dehumanization can result in harsher treatment of employees when they provide less than satisfactory service.
Loss of skeletal muscle during systemic chemotherapy is prognostic of poor survival in patients with foregut cancer
Authors: Daly Louise E. , Ní Bhuachalla Éadaoin B. , Power Derek G. , Cushen Samantha J. , James Karl , Ryan Aoife M.
Published: January 2018

Background

Malnutrition, weight loss, and muscle wasting are common in patients with foregut cancers (oesophagus, stomach, pancreas, liver, and bile ducts) and are associated with adverse clinical outcomes. However, little is known about the changes in body composition that occur in these patients during chemotherapy and its impacts clinical outcomes.

Patients and methods

A prospective study of adult foregut cancer patients undergoing chemotherapy between 2012 and 2016 was conducted. Computed tomography images were evaluated for cross‐sectional skeletal muscle area (SMA) and adipose tissue area (ATA) at two time points [interval 118 days (IQR 92–58 days)]. Longitudinal changes in SMA and ATA were examined using paired t‐tests. Sarcopenia and low muscle attenuation (MA) were defined using published cut‐points. Cox proportional hazards models were used to estimate mortality hazard ratios for key predictors.

Results

A total of 225 foregut cancer patients were included (67% male, median age 66 years). At baseline, 40% were sarcopenic, 49% had low MA, and 62% had cancer cachexia. Longitudinal analysis (n = 163) revealed significant reductions in SMA [−6.1 cm2 (3.9%)/100 days, P < 0.001]. Patients treated with neoadjuvant chemotherapy experienced greater losses in SMA and skeletal muscle mass compared with patients receiving palliative chemotherapy [−6.6 cm2 (95%, confidence interval, CI: −10.2 to −3.1), P < 0.001 and −1.2 kg (95% CI: −1.8 to −0.5), P < 0.001, respectively]. Neither sarcopenia nor low MA at baseline was associated with reduced survival. A loss of SMA >6.0%/100 days (highest fourth) independently predicted overall survival in patients receiving palliative chemotherapy [hazard ratio: 2.66, (95% CI: 1.42 to 4.97), P = 0.002].

Conclusions

Patients with foregut cancers, particularly those treated with neoadjuvant chemotherapy, experience significant losses of muscle during chemotherapy. A high level of SMA loss is prognostic of reduced survival in patients treated with palliative chemotherapy. Multimodal interventions to stabilize or increase muscle mass and influence outcome warrant further investigation.
A model for the reaction kinetics of main and side reactions during the industrial production of trioxane, and its applications
Authors: Zhang Xianming , Hu Yufeng , Ma Weiting
Published: January 2018

BACKGROUND

Trioxane is industrially synthesized by cyclotrimerization of formaldehyde in [formaldehyde–H2SO4(catalyst)–H2O]. A rapid expansion of trioxane production facilities has occurred worldwide, which requires a reliable model for the reaction kinetics of main and side reactions, and a deep understanding of underlying mechanisms of conversion and selectivity.

RESULTS

Such a model is developed on the basis of our newly established reaction pathways for product and by‐products, and component activities calculated by the extended UNIFAC models. Reaction kinetics data are measured and utilized to determine model parameters. The new model offers correct descriptions of the reaction kinetics of main and side reactions that occur under industrial working conditions. The model calculation results are used to illustrate the mechanisms that govern conversion and selectivity, and illustrate the roles of catalysts and salt additives in industrial production of trioxane through the reactive distillation process.

CONCLUSIONS

The principal prediction results are that both conversion and selectivity can be significantly enhanced by developing new catalysts and salt additives to decrease the rate constant for decomposition reaction of trioxane to formaldehyde, and new catalytic mixtures should integrate catalysis with extractive distillation. All of the model predictions are consistent with experimental results. © 2018 Society of Chemical Industry
Reflexivity without identity matching training: A first demonstration
Authors: Swisher Melissa , Urcuioli Peter J.
Published: January 2018

Until now, the equivalence property of reflexivity—matching physically identical stimuli to themselves after training on a set of arbitrary matching relations—has not been demonstrated in any animal, human or nonhuman. Previous reports of reflexivity have either implicitly or explicitly involved reinforced training on other identity matching relations. Here we demonstrate reflexivity without prior identity matching training. Pigeons received concurrent successive matching training on three arbitrary matching tasks: AB (hue–form), BC (form–hue), and AC (hue–hue with different hues in the A and C sets). Afterwards, pigeons were tested for BB (form–form) reflexivity. Consistent with the predictions of Urcuioli's () theory, pigeons preferentially responded to B comparison stimuli that matched the preceding B sample stimuli in testing (i.e., BB reflexivity). A separate experiment showed that a slightly different set of arbitrary matching baseline relations yielded a theoretically predicted “anti‐reflexivity” (or emergent oddity) effect in two of five pigeons. Finally, training on just two arbitrary successive matching tasks (AB and BC) did not yield any differential BB responding in testing for five of eight pigeons, with two others showing reflexivity and one showing antireflexivity. These data complement previous findings of symmetry and transitivity (the two other properties of equivalence) in pigeons.
The role of response force on the persistence and structure of behavior during extinction
Authors: Pinkston Jonathan W. , Foss Erica K.
Published: January 2018

Behavior Momentum Theory has emerged as a prominent account of resistance to change in both basic and applied research. Although laboratory studies often define precise, repeatable responses, application research often deals with response classes that may vary widely along a number of dimensions. In general, Behavior Momentum Theory has not addressed how response dimensions impact resistance to change, providing an opportunity to expand the model in new directions. Four rats pressed a force transducer under a multiple variable interval (VI) 60‐s VI 60‐s schedule of reinforcement. In one component, responses satisfied the schedule only if the response force fell within a “low” force band requirement; responses in the other schedule were required to satisfy a “high” force band. Once responding stabilized, extinction was programmed for three sessions. Then, the procedures were replicated. The results showed that response force came under discriminative control, but force requirements had no impact on resistance to extinction. In a follow‐up condition, the schedule was changed to a multiple VI 30‐s VI 120‐s schedule and the low‐force band operated in both components. The results showed that behavior maintained by the VI 30‐s schedule was generally more resistant to extinction. A secondary analysis showed that force distributions created under baseline maintained during extinction. Overall, the results suggest that differential response force requirements prevailing in steady state do not affect the course of extinction.
Why allometric variation in mammalian metabolism is curvilinear on the logarithmic scale
Authors: Packard Gary C.
Published: January 2018

Studies performed over the last 20 years have repeatedly documented a slight convex curvature (relative to the x‐axis) in double‐logarithmic plots of basal metabolic rate (BMR) versus body mass in mammals. This curvilinear pattern has usually been interpreted in the context of a simple, two‐parameter power function on the arithmetic scale, y  =  a  ×  xb, with the exponent in the equation supposedly increasing systematically with body size. An equation of this form has caused concern among ecologists because a variable exponent is inconsistent with an assumption underlying the metabolic theory of ecology (MTE). However, the appearance of an exponent that varies with body size is an artifact resulting from the widespread use of logarithmic transformations in allometric analyses. Curvature in the distribution on the logarithmic scale actually is caused by a requirement for an explicit, non‐zero intercept—and not a variable exponent—in the model describing the distribution on the arithmetic scale. Thus, the MTE need not be revised to accommodate an exponent that varies with body size in the scaling of mammalian BMR, but the theory may need to be tweaked to accommodate an intercept in the allometric equation. In general, any bivariate dataset that is well described by a three‐parameter power equation on the arithmetic scale will follow a curvilinear path when displayed on the logarithmic scale. Consequently, reports of curvilinearity in log domain (i.e., “complex allometry”) need to be revisited because conclusions from those investigations are likely to be flawed.
A Simple and Efficient Regioselective and Chemoselective Synthesis of New Substituted 3‐Methyl‐6‐arylpyridazine‐4‐carboxamides and 5‐Oxo‐3‐aryl‐5,6‐dihydropyrido[4,3‐c]pyridazine‐8‐carbaldehydes
Authors: Lotfata Ali , Rimaz Mehdi , Baradarani Mehdi M.
Published: January 2018

A facile, green, and one‐pot approach is described for the regioselective synthesis of new substituted 3‐methyl‐6‐arylpyridazine‐4‐carboxamides in water at room temperature. Subsequent treatment of these products with the Vilsmeier reagent led to chemoselective and regioselective production of new 5‐oxo‐3‐aryl‐5,6‐dihydropyrido[4,3‐c]pyridazine‐8‐carbaldehydes in good to excellent yields.
Fully automated segmentation of the left ventricle in cine cardiac MRI using neural network regression
Authors: Tan Li Kuo , McLaughlin Robert A. , Lim Einly , Abdul Aziz Yang Faridah , Liew Yih Miin
Published: January 2018

Background

Left ventricle (LV) structure and functions are the primary assessment performed in most clinical cardiac MRI protocols. Fully automated LV segmentation might improve the efficiency and reproducibility of clinical assessment.

Purpose

To develop and validate a fully automated neural network regression‐based algorithm for segmentation of the LV in cardiac MRI, with full coverage from apex to base across all cardiac phases, utilizing both short axis (SA) and long axis (LA) scans.

Study Type

Cross‐sectional survey; diagnostic accuracy.

Subjects

In all, 200 subjects with coronary artery diseases and regional wall motion abnormalities from the public 2011 Left Ventricle Segmentation Challenge (LVSC) database; 1140 subjects with a mix of normal and abnormal cardiac functions from the public Kaggle Second Annual Data Science Bowl database.

Field Strength/Sequence

1.5T, steady‐state free precession.

Assessment

Reference standard data generated by experienced cardiac radiologists. Quantitative measurement and comparison via Jaccard and Dice index, modified Hausdorff distance (MHD), and blood volume.

Statistical Tests

Paired t‐tests compared to previous work.

Results

Tested against the LVSC database, we obtained 0.77 ± 0.11 (Jaccard index) and 1.33 ± 0.71 mm (MHD), both metrics demonstrating statistically significant improvement (P < 0.001) compared to previous work. Tested against the Kaggle database, the signed difference in evaluated blood volume was +7.2 ± 13.0 mL and –19.8 ± 18.8 mL for the end‐systolic (ES) and end‐diastolic (ED) phases, respectively, with a statistically significant improvement (P < 0.001) for the ED phase.

Data Conclusion

A fully automated LV segmentation algorithm was developed and validated against a diverse set of cardiac cine MRI data sourced from multiple imaging centers and scanner types. The strong performance overall is suggestive of practical clinical utility.

Level of Evidence: 3

Technical Efficacy: Stage 2

J. Magn. Reson. Imaging 2018.
1.0T MR‐guided percutaneous coaxial cutting needle biopsy in pancreatic lesion diagnosis
Authors: Liu Chao , Wang Ligang , He Xiangmeng , Xu Yujun , Lu Dong , Li Peipei , Lv Rongbin , Feng Yong , Liu Ming , Li Chengli
Published: January 2018

Background

Pancreatic carcinoma is a common cause of cancer deaths worldwide. Biopsy is often required for the initial diagnosis of pancreatic masses. Biopsy can be performed endoscopically or percutaneously with computed tomography (CT) and ultrasound (US) guidance. MRI offers many inherent advantages over CT and US.

Purpose/Hypothesis

To prospectively evaluate the feasibility, accuracy, and safety of MRI‐guided percutaneous coaxial cutting needle biopsy of pancreatic lesions using an open 1.0T high‐field MR scanner.

Study Type

Prospective.

Population

Thirty‐one patients with 31 pancreatic lesions underwent MR‐guided percutaneous coaxial cutting needle biopsy.

Field Strength/Sequence

1.0T T2WI‐TSE PDW‐aTSE T1WI‐TFE.

Assessment

Final diagnosis was confirmed by surgery and clinical follow‐up for at least 12 months. The accuracy, sensitivity, and specificity were calculated. Complications were recorded.

Statistical Tests

There was no statistical analysis in this study.

Results

The procedure was technically successful and final biopsy samples were adequate for histopathological examination in all patients. Biopsy pathology revealed malignant pancreatic tumor in 25 patients (25/31, 80.6%), and benign pancreatic lesions were present in six patients (6/31, 19.4%). The final diagnosis was pancreatic malignancy in 27 patients and benign disease in four patients, which was confirmed by surgery and clinical follow‐up. Two biopsy results were false‐negative. The diagnostic accuracy in biopsies was 93.5% (29 of 31). The sensitivity to detect a malignant disease was 92.6% (25 of 27), and the specificity was 100%. All patients tolerated the procedure well; minor peripancreatic hemorrhage was found in two patients after the procedure, and none had major complications either during or after the procedure.

Data Conclusion

MRI‐guided percutaneous biopsy of pancreatic lesions using an open 1.0T high‐field scanner has high diagnostic accuracy, which is feasible and safe for use in clinical practice.

Level of Evidence: 2

Technical Efficacy: Stage 2

J. MAGN. RESON. IMAGING 2018;48:382–388.
Late Holocene changes in vegetation and atmospheric circulation at Lake Uddelermeer (The Netherlands) reconstructed using lipid biomarkers and compound‐specific δD analysis
Authors: van den Bos V. , Engels S. , Bohncke S. J. P. , Cerli C. , Jansen B. , Kalbitz K. , Peterse F. , Renssen H. , Sachse D.
Published: January 2018

We reconstructed middle to late Holocene changes in atmospheric circulation patterns and vegetation in north‐west Europe by applying novel geochemical techniques to the sediment record of Lake Uddelermeer (The Netherlands). A comparison of higher plant‐derived leaf wax n‐alkane distributions archived in the lake sediments with those in living plant material, combined with palynological analysis, indicates that the vegetation immediately surrounding the lake became more open at 3150 cal a BP, while the regional vegetation responded more gradually and ∼650 years later. Our record of the hydrogen isotopic composition of plant leaf waxes (δDwax) shows a deuterium enrichment starting from 3500 cal a BP, which we interpret as a change in atmospheric circulation. A similar δDwax record from nearby Meerfelder Maar (Germany) shows an opposite trend around this time, which could be explained by a change in sea‐level pressure resembling a negative North Atlantic Oscillation phase. This could account for depleted δD values of precipitation at Meerfelder Maar, while confounding factors related to the more maritime position of Uddelermeer cause the opposite shift there.
Three‐Dimensional Shear Wave Elastography for Differentiating Benign From Malignant Thyroid Nodules
Authors: Zhao Chong‐Ke , Chen Shi‐Gao , Alizad Azra , He Ya‐Ping , Wang Qiao , Wang Dan , Yue Wen‐Wen , Zhang Kun , Qu Shen , Wei Qing , Xu Hui‐Xiong
Published: January 2018

Objectives

To prospectively evaluate the diagnostic performance of 3‐dimensional (3D) shear wave elastography (SWE) for assessing thyroid nodules.

Methods

A total of 176 surgically or cytologically confirmed thyroid nodules (63 malignant and 113 benign) in 176 patients who had undergone conventional ultrasound (US), 2‐dimensional (2D) SWE, and 3D SWE examinations were included in this study. Quantitative elasticity values (mean elasticity, maximum elasticity, and standard deviation of elasticity of a large region of interest and mean elasticity of a 2‐mm region of interest) were measured on 2D and 3D SWE. Diagnostic performances of conventional US, 2D SWE, and 3D SWE were assessed. The role of 2D and 3D SWE in reducing unnecessary fine‐needle aspiration (FNA) for nodules with low suspicion was also evaluated.

Results

The diagnostic performances in terms of the area under the receiver operating characteristic curve were 0.612 for conventional US, 0.836 for 2D SWE (P < .001 in comparison with conventional US), and 0.839 for 3D SWE (P < .001 in comparison with conventional US). The mean elasticity achieved the highest diagnostic performance in 2D SWE, whereas the standard deviation of elasticity achieved the highest performance in 3D SWE, although no significant difference was found between them (P > .05). Three‐dimensional SWE increased the specificity in comparison with 2D SWE (88.5% versus 82.3%; P = .039). For the 37 nodules with low suspicion on conventional US imaging, 2D SWE was able to avoid unnecessary FNA in 77.1% (27 of 35) of benign nodules, and 3D SWE further increased the number to 88.6% (31 of 35).

Conclusions

Three‐dimensional SWE is a useful tool for predicting thyroid nodule malignancy and reducing unnecessary FNA procedures in thyroid nodules with low suspicion of malignancy.
Microbiota and the liver
Authors: Shen Ting‐Chin David , Pyrsopoulos Nikolaos , Rustgi Vinod K.
Published: January 2018

The gut microbiome outnumbers the human genome by 150‐fold and plays important roles in metabolism, immune system education, tolerance development, and prevention of pathogen colonization. Dysbiosis has been associated with nonalcoholic fatty liver disease (NAFLD), nonalcoholic steatohepatitis (NASH), and alcoholic liver disease (ALD) as well as cirrhosis and complications. This article provides an overview of this relationship. Liver Transplantation 24 539–550 2018 AASLD.
The emerging role of Rab GTPases in the pathogenesis of Parkinson's disease
Authors: Gao Yujing , Wilson Gabrielle R. , Stephenson Sarah E. M. , Bozaoglu Kiymet , Farrer Matthew J. , Lockhart Paul J.
Published: January 2018

The identification of pathogenic mutations in Ras analog in brain 39B (RAB39B) and Ras analog in brain 32 (RAB32) that cause Parkinson's disease (PD) has highlighted the emerging role of protein trafficking in disease pathogenesis. Ras analog in brain (Rab) Guanosine triphosphatase (GTPase) function as master regulators of membrane trafficking, including vesicle formation, movement along cytoskeletal networks, and membrane fusion. Recent studies have linked Rab GTPases with α‐synuclein, Leucine‐rich repeat kinase 2, and Vacuolar protein sorting 35, 3 key proteins in PD pathogenesis. In this review, we discuss the various RAB GTPases associated with PD, current progress in the research, and potential future directions. Investigations into the function of RAB GTPases will likely provide significant insight into the etiology of PD and identify novel therapeutic targets for a currently incurable disease. © 2018 International Parkinson and Movement Disorder Society
Barriers and reinforcing factors to self‐management behaviour in rheumatoid arthritis patients: A qualitative study
Authors: Chaleshgar‐Kordasiabi M. , Enjezab B. , Akhlaghi M. , Sabzmakan I.
Published: January 2018

Objective

The aim of the present study was to explore the view of rheumatoid arthritis (RA) patients about the barriers and reinforcing factors in practising self‐management behaviour (SMB).

Methods

This was a qualitative study based on directed content analysis of in‐depth semi‐structured interviews with 30 patients. The participants were selected using a purposeful sampling approach. The interviews continued until data saturation was reached. The study was conducted over 6 months in 2014–2015 at the Rheumatology Clinic of Shariati Hospital, Tehran University of Medical Sciences, Tehran, Iran.

Results

Three main themes and 14 subthemes were extracted. The main themes included behavioural barriers, environmental barriers and reinforcing factors. The subthemes included lack of awareness; poor physician–patient relationship; lack of motivation; negative attitude and willingness; lack of time; cost; housing conditions and in‐home equipment; negative social effects; social support; consequences of SMB; and comparing yourself with others.

Conclusion

Behavioural and environmental barriers, as well as social support and outcomes of SMB were the most important barriers and reinforcing factors of SMB. Therefore, considering these factors in patients may help in designing programmes that attempt to reduce barriers and increase reinforcing factors, which ultimately result in higher levels of SMB and quality of life among patients.
Neuralgic amyotrophy in children
Authors: Al‐Ghamdi Fouad , Ghosh Partha S.
Published: January 2018

Introduction: Neuralgic amyotrophy (NA) is characterized by the clinical triad of pain, muscle weakness/atrophy, and sensory symptoms. Methods: We retrospectively identified children (≤18 years old) over the course of 15 years (2003–2017) at a single pediatric center. Results: We included 22 patients (8 females and 14 males, 6–18 years old); pain was the presenting manifestation in all of them. Clinical weakness involving the periscapular muscles was observed in 16 patients and scapular winging in 13 patients. Two patients had preceding viral infection. Electromyography was performed in 21 patients: sensory nerve abnormalities were detected in 5, and neurogenic changes were most commonly observed in the serratus anterior muscle. Treatment was mainly supportive, although 4 patients received immunotherapy. Persistent pain and residual motor deficits were observed in more than half of the patients at follow‐up. Discussion: NA is rare in children but clinicians should be aware of this entity to avoid delays in diagnosis. In our series, presentation was similar to that seen in adults. Muscle Nerve 57: 932–936, 2018
Apparent diffusion coefficients in prostate cancer: correlation with molecular markers Ki‐67, HIF‐1α and VEGF
Authors: Ma Teng , Yang Shaolin , Jing Haiyan , Cong Lin , Cao Zhixin , Liu Zhiling , Huang Zhaoqin
Published: January 2018

Prostate cancer (PCa) is the second most common cancer in men. The Gleason score (GS) and biomarkers play important roles in the diagnosis and treatment of patients with PCa. The purpose of this study was to investigate the relationship between the apparent diffusion coefficient (ADC) and the molecular markers Ki‐67, hypoxia‐inducible factor‐1α (HIF‐1α) and vascular endothelial growth factor (VEGF) in PCa. Thirty‐nine patients with 39 lesions, who had been diagnosed with PCa, were enrolled in this study. All patients underwent diffusion‐weighted magnetic resonance imaging (DW‐MRI) (b = 800 s/mm2). The expression of Ki‐67, HIF‐1α and VEGF was assessed by immunohistochemistry. Statistical analysis was applied to analyze the association between ADC and prostate‐specific antigen (PSA), GS and the expression of Ki‐67, HIF‐1α and VEGF. The group differences in ADC among different grades of Ki‐67, HIF‐1α and VEGF were also analyzed. The mean ± standard deviation of ADC was (0.76 ± 0.27) × 10−3 mm2/s. ADC correlated negatively with PSA and GS (p < 0.05). The Ki‐67 staining index (SI), HIF‐1α expression and VEGF expression in PCa were correlated inversely with ADC, controlling for age (r = –0.332, p < 0.05; r = −0.662, p < 0.0005; and r = −0.714, p < 0.0005, respectively). ADC showed a significant difference among different grades of Ki‐67 (F = 9.164, p = 0.005), HIF‐1α (F = 40.333, p < 0.0005) and VEGF (F = 22.048, p < 0.0005). In conclusion, ADC was correlated with PSA, GS, and Ki‐67, HIF‐1α and VEGF expression in patients with PCa. ADC may be used to evaluate tumor proliferation, hypoxia and angiogenesis in PCa.
Adjusting policy implementation frameworks for non‐pluralist conditions: A case study of Ukraine's single tax for small business
Authors: Fischer‐Smith Ruth
Published: January 2018

Traditional frameworks for assessing policy implementation have been developed almost exclusively in the context of market‐based, pluralist democracies. This research explores policy processes in more diverse contexts, testing the applicability of existing implementation measurement models in the socio‐political context of a post‐Soviet country. Fieldwork conducted in Ukraine examines the factors affecting implementation of the Simplified Single Tax policy and considers the impact of formal and informal institutions on policy processes and small business conditions. Results include an expanded model for assessing policy implementation in non‐pluralist conditions, an original contribution to the fields of policy, small business, and development studies. The research further contributes to the literature concerning policy transfer, policy advocacy, and tax reform in developing nations. For theoreticians, this research may inform design considerations when conducting policy research outside of a pluralist democracy. For practitioners, it may inform efforts to mitigate implementation obstacles in diverse socio‐political contexts.
Effects of thermal‐oxidative aging on the flammability, thermal degradation kinetics and mechanical properties of DBDPE flame retardant long glass fiber reinforced polypropylene composites
Authors: Guo Jianbing , Wang Meng , Li Lingtong , Wang Jian , He Weidi , Chen Xiaolang
Published: January 2018

Long glass fiber reinforced polypropylene composites containing 2,2′,3,3′,4,4′,5,5′,6,6′‐decabromobibenzy flame retardants (LGF/DBDPE/PP) are prepared by melt blending method. The flame‐retardant properties of the composites with various thermal‐oxidative exposure time (0–50 days) at 140°C were investigated by the limiting oxygen index (LOI) and UL‐94 vertical burning test. The LOI values vary slightly with increasing the aging time, while the UL‐94 level maintains a constant V‐0 rating. The results demonstrate that the flammability of LGF/DBDPE/PP composites can remain at a relatively stable level in long time thermal‐oxidative aging process, which can be attributed to the excellent efficiency of DBDPE fire retardant and the impacts of thermal‐oxidative aging on the thermal stability of the composites turned out to be small. The thermal degradation kinetics of the unaged and aged LGF/DBDPE/PP composites are investigated by the Flynn‐Wall‐Ozawa and Kissinger methods. The obtained activation energy values can further provide objective evidence for revealing the regularities about the flammability of the LGF/DBDPE/PP composites during the thermal‐oxidative aging process. However, the crystallinity and mechanical properties of LGF/DBDPE/PP composites show a slow downtrend after thermal‐oxidative aging. POLYM. COMPOS., 39:E1733–E1741, 2018. © 2018 Society of Plastics Engineers
Lactose repressor hinge domain independently binds DNA
Authors: Xu Joseph S. , Hewitt Madeleine N. , Gulati Jaskeerat S. , Cruz Matthew A. , Zhan Hongli , Liu Shirley , Matthews Kathleen S.
Published: January 2018

The short 8–10 amino acid “hinge” sequence in lactose repressor (LacI), present in other LacI/GalR family members, links DNA and inducer‐binding domains. Structural studies of full‐length or truncated LacI‐operator DNA complexes demonstrate insertion of the dimeric helical “hinge” structure at the center of the operator sequence. This association bends the DNA ∼40° and aligns flanking semi‐symmetric DNA sites for optimal contact by the N‐terminal helix‐turn‐helix (HtH) sequences within each dimer. In contrast, the hinge region remains unfolded when bound to nonspecific DNA sequences. To determine ability of the hinge helix alone to mediate DNA binding, we examined (i) binding of LacI variants with deletion of residues 1–50 to remove the HtH DNA binding domain or residues 1–58 to remove both HtH and hinge domains and (ii) binding of a synthetic peptide corresponding to the hinge sequence with a Val52Cys substitution that allows reversible dimer formation via a disulfide linkage. Binding affinity for DNA is orders of magnitude lower in the absence of the helix‐turn‐helix domain with its highly positive charge. LacI missing residues 1–50 binds to DNA with ∼4‐fold greater affinity for operator than for nonspecific sequences with minimal impact of inducer presence; in contrast, LacI missing residues 1–58 exhibits no detectable affinity for DNA. In oxidized form, the dimeric hinge peptide alone binds to O1 and nonspecific DNA with similarly small difference in affinity; reduction to monomer diminished binding to both O1 and nonspecific targets. These results comport with recent reports regarding LacI hinge interaction with DNA sequences.
Crystal stuctures of MglB‐2 (TP0684), a topologically variant d‐glucose‐binding protein from Treponema pallidum, reveal a ligand‐induced conformational change
Authors: Brautigam Chad A. , Deka Ranjit K. , Liu Wei Z. , Norgard Michael V.
Published: January 2018

Previously, we determined the crystal structure of apo‐TpMglB‐2, a d‐glucose‐binding component of a putative ABC transporter from the syphilis spirochete Treponema pallidum. The protein had an unusual topology for this class of proteins, raising the question of whether the d‐glucose‐binding mode would be different in TpMglB‐2. Here, we present the crystal structures of a variant of TpMglB‐2 with and without d‐glucose bound. The structures demonstrate that, despite its aberrant topology, the protein undergoes conformational changes and binds d‐glucose similarly to other Mgl‐type proteins, likely facilitating d‐glucose uptake in T. pallidum.
Vibrational entropy estimation can improve binding affinity prediction for non‐obligatory protein complexes
Authors: Škrbić Tatjana , Zamuner Stefano , Hong Rolando , Seno Flavio , Laio Alessandro , Trovato Antonio
Published: January 2018

Predicting the binding affinity between protein monomers is of paramount importance for the understanding of thermodynamical and structural factors that guide the formation of a complex. Several numerical techniques have been developed for the calculation of binding affinities with different levels of accuracy. Approaches such as thermodynamic integration and Molecular Mechanics/Poisson‐Boltzmann Surface Area (MM/PBSA) methodologies which account for well defined physical interactions offer good accuracy but are computationally demanding. Methods based on the statistical analysis of experimental structures are much cheaper but good performances have only been obtained throughout consensus energy functions based on many different molecular descriptors. In this study we investigate the importance of the contribution to the binding free energy of the entropic term due to the fluctuations around the equilibrium structures. This term, which we estimated employing an elastic network model, is usually neglected in most statistical approaches. Our method crucially relies on a novel calibration procedure of the elastic network force constant. The residue mobility profile is fitted to the one obtained through a short all‐atom molecular dynamics simulation on a subset of residues only. Our results show how the proper consideration of vibrational entropic contributions can improve the quality of the prediction on a set of non‐obligatory protein complexes whose binding affinity is known.
Evidence for activation of nitenpyram by a mitochondrial cytochrome P450 in Drosophila melanogaster
Authors: Harrop Thomas WR , Denecke Shane , Yang Ying Ting , Chan Janice , Daborn Phillip J , Perry Trent , Batterham Philip
Published: January 2018

BACKGROUND

Nitenpyram is a member of the economically important neonicotinoid class of insecticides. The in vivo metabolism of nitenpyram is not well characterised, but cytochrome P450 activity is the major mechanism of resistance to neonicotinoids identified in insect pests, and P450s metabolise other neonicotinoids including imidacloprid.

RESULTS

Here, we used the GAL4‐UAS targeted expression system to direct RNA interference (RNAi) against the cytochrome P450 redox partners to interrupt P450 functions in specific tissues in Drosophila melanogaster. RNAi of the mitochondrial redox partner defective in the avoidance of repellents (dare) in the digestive tissues reduced nitenpyram mortality, suggesting an activation step in the metabolism of nitenpyram carried out by a mitochondrial P450. RNAi of the mitochondrial cytochrome P450 Cyp12a5, which is expressed in the digestive tissues, resulted in the same phenotype, and transgenic overexpression of Cyp12a5 increased nitenpyram sensitivity.

CONCLUSION

These results suggest that in vivo metabolism of nitenpyram by the mitochondrial P450 CYP12A5 results in the formation of a product with higher toxicity than the parent compound. © 2018 Society of Chemical Industry
Improved Ohmic Contact by Pre‐Metallization Annealing Process in Quaternary In0.04Al0.65Ga0.31N/GaN HEMTs
Authors: Mun Ha Jin , Hwang Ji Hyun , Kwon Young‐Ki , Hong Sung‐Min , Jang Jae‐Hyung
Published: January 2018

We report on the performance improvement of ohmic contact by a pre‐metallization annealing process after mesa‐isolation in quaternary InAlGaN/GaN high electron mobility transistors (HEMTs). By employing a pre‐metallization annealing, the contact and specific contact resistances are improved from 0.31 Ω · mm and 3.67 × 10−6 Ω cm2 to 0.21 Ω mm and 1.63 × 10−6 Ω cm2, respectively. The angle‐resolved X‐ray photoelectron spectroscopy (AR‐XPS) confirm the formation of nitrogen vacancies from the reduced atomic ratio of nitrogen and the binding energy shift of In3d5/2, Al2p1/2, and Ga2p3/2 toward the higher energy after the pre‐metallization annealing. Nitrogen vacancies that act as n‐type dopants make the effective Schottky barrier thinner leading to the improved contact resistance. When the pre‐metallization annealing process is employed to fabricate 200‐nm‐long gate HEMTs, the on‐resistance and the maximum transconductance are improved from 1.7 Ω mm and 400 mS mm−1 to 1.0 Ω mm and 618 mS mm−1, respectively.