bluuebunny/crossref_metadata_2025 huggingface dataset:
Mechanism and Substituent Effects of Benzene Arylation via a Phenyl Cation Strategy: A Density Functional Theory Study
Authors: Li Xiaoyan , Sun Ling , Zhang Qiaochu , Li Shijun , Wang Yang , Wei Donghui , Zhang Wenjing , Lan Yu
Published: August 2019

In this study, density functional theory (DFT) calculations were performed to gain insight into the possible reaction mechanism and substituent effects of benzene arylation at the molecular level. The results showed that both [Me3Si]+[WCA]− and [Et3Si]+[WCA]− promoted the reaction. The whole catalytic cycle generally involved three processes, namely, carbocation formation, Wheland intermediate formation, and catalyst regeneration. For the second process, the stepwise mechanism (C−C coupling followed by proton transfer) was shown to be preferred over the concerted mechanism, with successive [1,2]/[1,4]‐proton transfer as the preferred pathway. C−C coupling, rather than C−H insertion, was shown to be the rate‐determining step of the reaction, which was consistent with the kinetic isotope effect experimental results. Bond dissociation energy calculations showed that the ortho‐TMS substituent played a major role in activating the C−F bond to facilitate phenyl cation formation, leading to the most weakly C−Cl bonded intermediate, which facilitated the C−C coupling. Ortho‐phenyl substituents resulted in more severe steric hindrance of fluoride abstraction and a weaker C−H⋅⋅⋅π interaction in the C−C coupling transition state compared with meta‐phenyl substituents. Better stabilization of the cation center by an electron‐rich meta‐substituent was concluded to be the main reason for the better yield obtained compared with substrates containing an electron‐deficient meta‐substituent.
Electrochemical Behavior of Cytochrome C Immobilized in a Magnetically Induced Mesoporous Framework
Authors: Melo Antonio F. A. A. , Sedenho Graziela C. , Osica Izabela , Ariga Katsuhiko , Crespilho Frank N.
Published: August 2019

Protein immobilization on electrode surfaces remains a technological challenge and is decisive in enhancing biological properties with simplified operational steps. In view of proposing a new direction for protein immobilization, we report the development of a mesoporous framework resulting from the magnetically induced assembly of magnetite nanoparticles decorated with near‐monodisperse gold nanoparticles onto an indium‐tin‐oxide electrode. With an electrochemically active surface area of about 72 cm2 and pores with an average size of 31±1 nm, this magnetically induced mesoporous framework is suitable for the immobilization of small redox proteins. As a proof‐of‐concept, we show the electrochemical process of cytochrome c, where the mesoporous electrode provided a fourfold enhancement for the faradaic currents in comparison to standard polycrystalline gold electrodes.
Enhanced Electrochemical Properties of LiNi0.8Co0.1Mn0.1O2 Cathode Materials Modified with Lithium‐Ion Conductive Coating LiNbO3
Authors: Hu Guorong , Tao Yong , Lu Yan , Fan Ju , Li Luyu , Xia Jin , Huang Yong , Zhang Zhiyong , Su Haodong , Cao Yanbing
Published: August 2019

As a promising cathode material for lithium‐ion batteries, nitrogen‐rich LiNi0.8Co0.1Mn0.1O2 (NCM811) attracts great attention for its high specific capacity, but the rapid capacity decline of NCM811 in the process of charge/discharge restricts its extensive application. To alleviate the capacity decline for NCM811, a solid electrolyte LiNbO3 material with lithium‐ion diffusion and electron conduction activity was successfully coated on the surface of NCM811 by adopting a simple two‐step method, and the amount of the LiNbO3 coating layer was investigated. Powder X‐ray diffraction, scanning electron microscopy, transmission electron microscopy, and X‐ray photoelectron spectroscopy were used to characterize the as‐prepared cathode materials. The experimental results revealed that the LiNbO3 played a role in reducing surface residual alkalis and protecting NCM811 from erosion by electrolyte. When the weight ratio of LiNbO3 and NCM811 was 1 %, the corresponding 1 wt % LNO@NCM material displayed the best cycle performance and rate capability, whose capacity retention at 1 C after 200 cycles, and discharge capacity at 10 C are 90.1 % and 122.7 mAh g−1, respectively.
Sulfur‐/Nitrogen‐Rich Albumen Derived “Self‐Doping” Graphene for Sodium‐Ion Storage
Authors: Li Siyuan , Li Zeheng , Cao Gaoyao , Ling Min , Ji Jiapeng , Zhao Dian , Sha Ying , Gao Xuehui , Liang Chengdu
Published: August 2019

The development of sodium‐ion batteries (SIBs) is hindered by the rapid reduction in reversible capacity of carbon‐based anode materials. Outside‐in doping of carbon‐based anodes has been extensively explored. Nickel and NiS2 particles embedded in nitrogen and sulfur codoped porous graphene can significantly improve the electrochemical performance. Herein a built‐in heteroatom “self‐doping” of albumen‐derived graphene for sodium storage is reported. The built‐in sulfur and nitrogen in albumen act as the doping source during the carbonization of proteins. The sulfur‐rich proteins in albumen can also guide the doping and nucleation of nickel sulfide nanoparticles. Additionally, the porous architecture of the carbonized proteins is achieved through removable KCl/NaCl salts (medium) under high‐temperature melting conditions. During the carbonization process, nitrogen can also reduce the carbonization temperature of thermally stable carbon materials. In this work, the NS‐graphene delivered a specific capacity of 108.3 mAh g−1 after 800 cycles under a constant current density of 500 mA g−1. In contrast, the Ni/NiS2/NS‐graphene maintained a specific capacity of 134.4 mAh g−1; thus the presence of Ni/NiS2 particles improved the electrochemical performance of the whole composite.
A Comprehensive Investigation of a Zwitterionic GeI Dimer with a 1,2‐Dicationic Core
Authors: Béland Vanessa A. , Wang Zhiqiang , Macdonald Charles L. B. , Sham Tsun‐Kong , Ragogna Paul J.
Published: August 2019

The reductive dehalogenation of a zwitterionic GeII species to make a zwitterionic GeI dimer with a 1,2‐dicationic core is reported herein. To the root of the stability of this compound, the molecular and electronic structures were comprehensively characterized and investigated using crystallographic, spectroscopic, and computational methods. It was determined that the Ge centers are attracted because they are both electron‐rich and positively charged. A comparison to the electronic structure in triphosphenium cations revealed varying degrees of covalent bonding and that this difference can be distinguished spectroscopically.
Is job control always beneficial? Exploring its nonlinearity in creativity and in‐role performance
Authors: Du Yana , Zhang Li , Bu Qiong , Kurniawan Aldo
Published: August 2019

This study draws on resource allocation theory to examine the relationship between job control and two kinds of job performance, namely employee creativity and in‐role performance, as well as to investigate whether supervisor encouragement of creativity moderates these two potentially nonlinear relationships. To test the proposed model, we collected data from 234 employees in Indonesia. The results show that job control has an inverted U‐shaped relationship with employee creativity, but a U‐shaped relationship with in‐role performance. Supervisor encouragement of creativity moderates both relationships, such that the control–creativity relationship becomes U‐shaped, while the control–in‐role performance relationship becomes inverted U‐shaped when supervisor encouragement of creativity is high. Implications for managers on how to provide resources to employees are discussed.
Nature of Synergy between Brønsted and Lewis Acid Sites in Sn–Beta Zeolites for Polyoxymethylene Dimethyl Ethers Synthesis
Authors: Baranowski Christophe J. , Roger Maneka , Bahmanpour Ali M. , Kröcher Oliver
Published: August 2019

The role of Lewis and Brønsted acid sites and their potential synergy remains ambiguous for the production of polyoxymethylene dimethyl ethers (OME), which are suitable as a Diesel substitute. Here, this synergistic effect was investigated by using a series of beta polymorph A (BEA) zeolites with various degrees of Brønsted and Lewis acidity. Lewis acidity was introduced in dealuminated zeolites by Sn grafting in dichloromethane. These sites were only active in paraformaldehyde decomposition, OME growth, and acetalization. The Brønsted acid sites arising from bridging hydroxyl groups were active for all reaction steps, and notably for trioxane ring‐opening and dissociation to formaldehyde (FA), which did not occur on the Lewis acid sites. Presence of both Lewis and Brønsted acid sites led to a four‐fold increase in turnover frequency and a significant decrease of byproduct formation compared with the parent zeolite during OME synthesis from dimethoxymethane and trioxane. The synergistic effect between both types of acid sites is explained by FA insertion on Lewis acid sites leading to OME growth. Interaction between tetrahedral Sn and the carbonyl group of FA resulted in an activated carbonyl bond, which was likely the initial step for insertion of FA into OME.
Diversity matters: Effects of density compensation in pollination service during rainfall shift
Authors: Mukherjee Ronita , Deb Rittik , Devy Soubadra M.
Published: August 2019

Extreme weather events are increasing in frequency due to the warming climate. Such extremities can jeopardize ecosystem services and create economic imbalances. Tropical developing countries are predicted to suffer the maximum consequences of such events.

We examined the impact of such an event—extreme rainfall fluctuation—on a critical ecosystem service—pollination, which can be intricately linked to a country's economy. We performed this study in a dominant peri‐urban vegetable hub of an agriculture‐dependent developing country.

We found that the yield of all pollinator‐dependent crops grown across a large spatial scale (district) over multiple years (six) drastically declined with the decrease in rainfall.

At the local scale, we found that the dominant crop (representative horticultural crop) had a significant drop in yield during drought, likely due to the production of fewer female flowers and a significant shift in the pollinator community.

We found that Trigona sp. (one of the four pollinators) was the critical pollinator positively influencing fruit‐to‐flower ratio (FFR) (an indicator of pollination service) in the normal rainfall year. However, despite its sharp decline during drought, the FFR remained unaffected. We found that during drought, Apis dorsata was crucial in maintaining FFR and compensated for the decline of the critical pollinator across 67% farmlands.

Our study demonstrates the role of ecosystem stabilizing mechanism rescuing the crucial ecosystem service during climatic variability over the temporal scale.
Cytometry by time of flight identifies distinct signatures in patients with systemic sclerosis, systemic lupus erythematosus and Sjögrens syndrome
Authors: van der Kroef Maarten , van den Hoogen Lucas L. , Mertens Jorre S. , Blokland Sofie L.M. , Haskett Scott , Devaprasad Abhinandan , Carvalheiro Tiago , Chouri Eleni , Vazirpanah Nadia , Cossu Marta , Wichers Catherina G.K , Silva‐Cardoso Sandra C. , Affandi Alsya J. , Bekker Cornelis P.J. , Lopes Ana P. , Hillen Maarten R. , Bonte‐Mineur Femke , Kok Marc R. , Beretta Lorenzo , Rossato Marzia , Mingueneau Michaël , van Roon Joel A.G. , Radstake Timothy R.D.J
Published: August 2019

Systemic sclerosis (SSc), systemic lupus erythematosus (SLE) and primary Sjögrens syndrome (pSS) are clinically distinct systemic autoimmune diseases (SADs) that share molecular pathways. We quantified the frequency of circulating immune‐cells in 169 patients with these SADs and 44 healty controls (HC) using mass‐cytometry and assessed the diagnostic value of these results. Alterations in the frequency of immune‐cell subsets were present in all SADs compared to HC. Most alterations, including a decrease of CD56hi NK‐cells in SSc and IgM+ Bcells in pSS, were disease specific; only a reduced frequency of plasmacytoid dendritic cells was common between all SADs Strikingly, hierarchical clustering of SSc patients identified 4 clusters associated with different clinical phenotypes, and 9 of the 12 cell subset‐alterations in SSc were also present during the preclinical‐phase of the disease. Additionally, we found a strong association between the use of prednisone and alterations in B‐cell subsets. Although differences in immune‐cell frequencies between these SADs are apparent, the discriminative value thereof is too low for diagnostic purposes. Within each disease, mass cytometry analyses revealed distinct patterns between endophenotypes. Given the lack of tools enabling early diagnosis of SSc, our results justify further research into the value of cellular phenotyping as a diagnostic aid.
Single Source Precursors for Calcium Sulfide (CaS) Deposition
Authors: Kubiak Peter. S. , Johnson Andrew L. , Cameron Petra J. , Kociok‐Köhn Gabriele
Published: August 2019

Here we describe preliminary studies into the synthesis structural characterisation and thermal properties of a family of calcium xanthate precursors for application in the deposition of CaS thin films. The straightforward, low‐temperature syntheses are detailed along with characterisation of the resulting compounds by 1H and 13C NMR and elemental analysis. Solid state molecular structures of all compounds, obtained from single‐crystal X‐ray diffraction, are presented and discussed in detail. The decomposition behaviour of the precursors has been probed through TGA, TGA‐MS and thermal annealing experiments, indicating that the compounds decompose cleanly into CaS.
Formation of 8‐Hydroxyphenanthridines by Microwave‐Mediated IMDAF Reactions; Synthesis Directed towards Lycorine Alkaloids
Authors: Gulbrandsen Håkon Sætren , Serigstad Halvard , Lovell Read Matthew , Joos Ilah , Gundersen Lise‐Lotte
Published: August 2019

8‐Hydroxyphenathridines have been synthesized efficiently from N‐propargyl‐ortho‐furylanilines employing microwave‐mediated one‐pot intramolecular Diels–Alder reaction on furans (IMDAF) reaction and subsequent aromatization. The 8‐hydroxyphenathridines were also subjected to further functionalization; O‐alkylation and conversion to the corresponding triflate followed by Suzuki coupling. N‐Propargyl‐7‐furylindole and the corresponding indoline also underwent smooth IMDAF cyclization to give, after rearomatization, 7H‐pyrrolo[3,2,1‐de]phenanthridin‐9‐ol or the 4,5‐dihydro analog. These cyclization products could be further functionalized, i.e. O‐ or N‐alkylation and oxidation at C‐6. The oxidation could lead to 6‐oxo derivatives or pyrrolo[3,2,1‐de]phenanthridin‐6‐ium salts depending on the reaction conditions and structure of the substrate. The 9‐oxy‐pyrrolophenanthridines synthesized are structurally closely related to bioactive lycorine alkaloids.
Rates of rockwall slope erosion in the upper Bhagirathi catchment, Garhwal Himalaya
Authors: Orr Elizabeth N. , Owen Lewis A. , Saha Sourav , Caffee Marc W.
Published: August 2019

Rockwall slope erosion is defined for the upper Bhagirathi catchment using cosmogenic Beryllium‐10 (10Be) concentrations in sediment from medial moraines on Gangotri glacier. Beryllium‐10 concentrations range from 1.1 ± 0.2 to 2.7 ± 0.3 × 104 at/g SiO2, yielding rockwall slope erosion rates from 2.4 ± 0.4 to 6.9 ± 1.9 mm/a. Slope erosion rates are likely to have varied over space and time and responded to shifts in climate, geomorphic and/or tectonic regime throughout the late Quaternary. Geomorphic and sedimentological analyses confirm that the moraines are predominately composed of rockfall and avalanche debris mobilized from steep relief rockwall slopes via periglacial weathering processes. The glacial rockwall slope erosion affects sediment flux and storage of snow and ice at the catchment head on diurnal to millennial timescales, and more broadly influences catchment configuration and relief, glacier dynamics and microclimates. The slope erosion rates exceed the averaged catchment‐wide and exhumation rates of Bhagirathi and the Garhwal region on geomorphic timescales (103−105 years), supporting the view that erosion at the headwaters can outpace the wider catchment. The 10Be concentrations of medial moraine sediment for the upper Bhagirathi catchment and the catchments of Chhota Shigri in Lahul, northern India and Baltoro glacier in Central Karakoram, Pakistan show a tentative relationship between 10Be concentration and precipitation. As such there is more rapid glacial rockwall slope erosion in the monsoon‐influenced Lesser and Greater Himalaya compared to the semi‐arid interior of the orogen. Rockwall slope erosion in the three study areas, and more broadly across the northwest Himalaya is likely governed by individual catchment dynamics that vary across space and time. © 2019 The Authors. Earth Surface Processes and Landforms Published by John Wiley & Sons, Ltd.
Comparative chemical study and antimicrobial activity of essential oils of three Artemisia species from Egypt and Saudi Arabia
Authors: Amin Sahar M. , Hassan Hossam M. , El Gendy Abd El‐Nasser G. , El‐Beih Ahmed A. , Mohamed Tarik A. , Elshamy Abdelsamed I. , Bader Ammar , Shams Khaled A. , Mohammed Rabab , Hegazy Mohamed‐Elamir F.
Published: August 2019

The chemical composition of essential oils (EOs) distilled from three wild Artemisia species, Artemisia herba‐alba, Artemisia judaica, and Artemisia monosperma, collected from Egypt, and Saudi Arabia, were analysed by gas chromatography–mass spectrometry (GC‐MS). The antibacterial activities of the EOs for all species were determined using the Agar disc diffusion method. The yield of the EOs ranged from 0.16 to 0.49%. The results showed that A. monosperma plants growing in Saudi Arabia gave the highest yield, compared with A. herba‐alba, A. judaica, and A. monosperma collected from Egypt. In total, 92 volatile compounds were identified from the aerial parts of the plants using GC‐MS. Oxygenated monoterpenes were the major class in A. herba‐alba (75.31%) and A. judaica (83.07%), whereas monoterpene hydrocarbons were the major representative group in A. monosperma collected from both Saudi Arabia (34.23%) and Egypt (36.23%). Yomogi alcohol (22.4%), artemesia alcohol (9.91%), and 1,8‐cineole (9.68%) were the major components of the EO of A. herba‐alba, whereas camphor (31.4%), piperitone (29.9%), and endo‐borneol (5.72%) were characterized as the main compounds in A. judaica. β‐Vinylnaphthalene (24.89%), β‐eudesmol (15.41%), and β‐pinene (20.67%) represented the main components of the EO of Saudi Arabian A. monosperma, but β‐pinene (11.89%), (–)‐spathulenol (8.84%), p‐cymene (8.83%), and shyobunone (7.05%) were the major components of the EO of Egyptian A. monosperma. Herein, a comparative analysis between the EOs of Egyptian Artemisia and those collected from Saudi Arabia was performed with principal components analysis (PCA) and agglomerative hierarchical clustering (AHC). The minimum inhibitory concentration (MIC) values ranged from 0.5 to2.5 μL per disc against different microorganisms. Artemisia judaica and A. monosperma (Saudi Arabia) plants had the highest MICs and A. monosperma (Egypt) had the lowest MIC, which may indicate different compositions as a result of climatic variation.
An unintended consequence of provider payment reform: The case of capitation grants in the National Health Insurance reform of Indonesia
Authors: Tan Si Ying , Qian Jiwei
Published: August 2019

One of the most important components of the ambitious 2014 National Health Insurance reform in Indonesia is the implementation of prospective payment system known as capitation grants, paid monthly to the primary health providers based on the enrolment rate. This has ushered in additional financial resources for the health managers in resource allocations, especially in the hiring of manpower. Drawing data from the Indonesia Family Life Survey (1993‐2015), this paper uses difference‐in‐differences method to evaluate the effects of the payment method reform on the allocation of human resources for health among the primary health providers. To our surprise, there was no statistically significant change in the total number of full‐time staff among the capitated facilities after the reform. However, capitation grants caused an increase in the number of full‐time equivalent and part‐time equivalent contract staff, but a significant decline in the number of full‐time permanent staff among the urban capitated facilities. It is likely that more contract health workers were hired at the expense of full‐time permanent staff among the capitated facilities in the urban regions. This unintended consequence shed light on the need to develop nuanced and contextual understanding of payment reforms in developing countries.
Comprehensive measurement of health system performance at district level in India: Generation of a composite index
Authors: Sharma Atul , Prinja Shankar , Aggarwal Arun Kumar
Published: August 2019

There have been limited attempts at measurement of health system performance at decentralized levels in low‐ and middle‐income countries. This study was undertaken to develop a composite indicator to measure health system performance at district level in India. Primary data were collected from 377 public health facilities in 21 districts of Haryana state in India using health facility surveys. In addition, 1700 health care providers and 800 clients visiting health facilities were interviewed. Routine health management information system data at district and state level were also analyzed. These data were used for computing 67 input and process indicators covering six health system building blocks. Indicators were normalized and aggregated to generate domain‐specific and overall composite health system performance index (HSPI) for each district. Several sensitivity analyses were performed to assess robustness of results. Overall, Panchkula and Ambala districts were found to be the best performing in the state (with HSPI scores of 0.64 and 0.62 out of 1), while Mewat, Faridabad, and Palwal districts had the poorest performance (with HSPI scores of 0.46, 0.49, and 0.48 out of 1). Significant variation in performance was observed for each health system building block. Sensitivity analyses results showed that study findings were robust to variations in methods of aggregation of indicators. Our study provides a framework and methods to measure health system performance at district level in a comprehensive manner. The composite indicator provides a summary snapshot to benchmark performance, while building block and domain scores provide critical information for programmatic action.
Effects of long‐term intermittent versus chronic calorie restriction on oxidative stress in a mouse cancer model
Authors: Cicekdal Munevver B. , Tuna Bilge G. , Charehsaz Mohammad , Cleary Margot P. , Aydin Ahmet , Dogan Soner
Published: August 2019

Calorie restriction (CR) is one of the most effective methods to prevent many diseases including cancer in preclinical models. However, the molecular mechanism of how CR prevents cancer is unclear. The aim of this study was to understand the role of oxidative stress (OS) in the preventive effects of different types of CR in aging mouse mammary tumor virus‐transforming growth factor‐alpha (MMTV‐TGF‐α) female mice. Mice were enrolled in ad libitum (AL), chronic CR (CCR, 15% CR) or intermittent CR [ICR, 3 weeks AL (ICR‐Refeed, ICR‐RF) and 1 week 60% CR (ICR‐Restriction, ICR‐R) in cyclic periods] groups started at the age of 10 weeks and continued until 81/82 weeks of age. Blood samples were collected to measure malondialdehyde (MDA), glutathione (GSH), catalase (CAT), and superoxide dismutase (SOD) levels. There was no significant difference for MDA levels among the dietary groups although the chronic calorie restriction (CCR) group had lower MDA levels compared to intermittent calorie restriction (ICR) and AL group at different time points. There was also no change in MDA levels of CCR group with aging. On the other hand, the CCR group had higher CAT and SOD activity compared to ICR‐R, ICR‐RF, and AL groups. Moreover, GSH level was higher in CCR compared to ICR group at week 49/50 (p < .05). CAT and SOD activities were also positively correlated (p < .05). Here, for the first time, the long‐term (72 weeks) effects of different types of CR on OS parameters were reported. In conclusion, moderate that is, 15%, CCR is more likely to be protective compared to the same overall calorie deficit implemented by ICR against OS that may play role in the preventive effects of CR.
An automatic diagnostic system of coronary artery lesions in Kawasaki disease using intravascular optical coherence tomography imaging
Authors: Abdolmanafi Atefeh , Cheriet Farida , Duong Luc , Ibrahim Ragui , Dahdah Nagib
Published: August 2019

Intravascular optical coherence tomography (IV‐OCT) is a light‐based imaging modality with high resolution, which employs near‐infrared light to provide tomographic intracoronary images. Morbidity caused by coronary heart disease is a substantial cause of acute coronary syndrome and sudden cardiac death. The most common intracoronay complications caused by coronary artery disease are intimal hyperplasia, calcification, fibrosis, neovascularization and macrophage accumulation, which require efficient prevention strategies. OCT can provide discriminative information of the intracoronary tissues, which can be used to train a robust fully automatic tissue characterization model based on deep learning. In this study, we aimed to design a diagnostic model of coronary artery lesions. Particularly, we trained a random forest using convolutional neural network features to distinguish between normal and diseased arterial wall structure. Then, based on the arterial wall structure, fully convolutional network is designed to extract the tissue layers in normal cases, and pathological tissues regardless of lesion type in pathological cases. Then, the type of the lesions can be characterized with high precision using our previous model. The results demonstrate the robustness of the model with the approximate overall accuracy up to 90%.
Unmet mental health and substance use treatment needs among older homeless adults: Results from the HOPE HOME Study
Authors: Kaplan Lauren M. , Vella Lea , Cabral Elise , Tieu Lina , Ponath Claudia , Guzman David , Kushel Margot B.
Published: August 2019

Aims

To examine the prevalence of and factors associated with unmet need for mental health and substance use treatment in older homeless adults.

Methods

Among 350 homeless adults aged ≥50, we examined prevalence of mental health and substance use problems and treatment. Using logistic regression, we examined factors associated with unmet treatment need.

Results

Among those with a mental health problem, being aged ≥65 was associated with an increased odds, while having a regular healthcare provider and case manager were associated with a decreased odds of having unmet need for mental health treatment. A first homelessness episode at age ≥50 was associated with increased, while spending time in jail/prison or having a case manager was associated with decreased odds of unmet needs for substance use treatment.

Conclusion

Older homeless adults have a high prevalence of unmet behavioral health treatment need. There is a need for targeted services for this population.
Improvable models as scaffolds for promoting productive disciplinary engagement in an engineering design activity
Authors: Dasgupta Chandan
Published: August 2019

Background

There is a need to find ways of productively engaging K‐12 students with engineering design. I investigate a new class of physical models, referred to as Improvable Models, as scaffolds for helping middle school students productively engage in engineering design practices.

Purpose/Hypothesis

The purpose of this study is to answer two questions: (a) How do students use Improvable Models? and (b) How does the use of Improvable Models as scaffolds support students' design of engineering solutions?

Design/Method

Design‐based research was conducted in a sixth‐grade classroom. Students used a type of Improvable Model, specifically the Suboptimal System (SS) seed model. Improvable Models make the entire design space accessible and enable iterative design optimization. An SS seed model represents inefficient design decisions and is used as an initiator for iterative design optimization. The study spanned 10 lessons, each 45 min long, totaling 8 days of instructional activity spread across 1 month. Data sources included student conversations, design work, and presentations. The productive disciplinary engagement framework was used to analyze the data.

Results

Students used the seed model for productively engaging with five disciplinary practices: decomposing the design challenge into individual design parameters, considering the relationship between design parameters, reasoning through multiple design parameters and making trade‐offs, weighing multiple solutions, and using design heuristics for ideation and design optimization. The seed model scaffolded students' productive engagement in various disciplinary practices such as informed decision‐making and systematic exploration.

Conclusion

This study provides an approach for designing learning environments for productively engaging K‐12 students in engineering design practices using a suboptimal model.
Functionalized Benzofurans via Microwave‐Promoted Tandem Claisen‐Rearrangement/5‐endo‐dig Cyclization
Authors: Schultze Christiane , Schmidt Bernd
Published: August 2019

Ortho‐allyloxy alkinyl benzenes undergo, upon microwave irradiation in dimethylformamide, a tandem sequence of Claisen‐rearrangement and 5‐endo‐dig cyclization to furnish 7‐allyl‐substituted benzofurans. With terminal alkynes, chroman‐4‐ones and enaminoketones become the main products. A mechanistic proposal for this observation relies on a reaction of the starting material with the solvent dimethylformamide under the microwave conditions.
Performance of fracture risk assessment tool in HIV‐positive male individuals aged ≥45 years on suppressive antiretroviral therapy
Authors: Tsai Mao‐Song , Zhang Jun‐Yu , Sun Hsin‐Yun , Liu Wen‐Chun , Wu Pei‐Ying , Yang Chia‐Jui , Hung Chien‐Ching
Published: August 2019

Introduction

An age‐specific evaluation and management algorithm for reduced bone mineral density (BMD) is suggested for HIV‐positive patients without major risk factors. Whether combination of BMD and the Fracture Risk Assessment Tool (FRAX) may detect more individuals for therapeutic interventions remains unclear. We aimed to determine the prevalence of middle‐aged or older HIV‐positive males fitting the criteria of therapeutic interventions with different approaches.

Methods

From July 2016 to February 2018, HIV‐positive male patients aged ≥45 years receiving suppressive antiretroviral therapy were recruited in a cross‐sectional study, at two designated hospitals for HIV care in northern Taiwan. Patients with malignancy, AIDS, pre‐existing bone disease or immobilization were excluded. Information on clinical and demographic characteristics, FRAX questionnaire, activity questionnaire, BMD and serum 25(OH)D was obtained. FRAX scores combined with BMD (FRAX/BMD) and without BMD (FRAX) were calculated. The data were analysed on the basis of major risk factors for fragility fracture and age stratification, FRAX score and BMD results respectively.

Results

We enrolled 330 patients with a mean age of 51.6 years and CD4 610 cells/μL, in whom 98.1% (n = 324) underwent BMD assessment of one site or more. By FRAX, 6.7% (n = 22) reached treatment thresholds (10‐year risk of major osteoporotic fracture ≥20% and/or hip fracture ≥3%). The prevalence of osteopenia (−2.5 <T‐score <−1) and osteoporosis (T‐score ≤−2.5) was 50.3% and 10.8% respectively. Compared with FRAX, FRAX/BMD identified 17.4% (95% CI 12.0% to 22.8%) more individuals who reached treatment thresholds (24.1% vs. 6.7%); even in the low‐risk group (without major risks for fragility fracture, 45 to 49 years, n = 129), FRAX/BMD identified 12.6% (95% CI 7.9% to 19.7%) more candidates (12.6% vs. 0%). Patients with BMI<22 kg/m2 (adjusted OR (aOR) 2.86, 95% CI 1.62 to 5.05) and aged ≥50 years (aOR 3.57, 95% CI 1.92 to 6.66) were more likely not to be identified as requiring treatment by FRAX but would be identified as requiring treatment by FRAX/BMD. The sensitivity and specificity of FRAX to detect candidates for interventions was 18.2% (95% CI 10.3% to 28.6%) and 97.9% (95% CI 95.2% to 99.3%) respectively.

Conclusions

With FRAX as a screening approach among HIV‐positive male patients aged ≥45 years, addition of BMD assessment may detect more candidates for therapeutic management.
Born and raised to be a fraudster
Authors: Brody Richard G. , Knight Ryan C. , Nunez Jessica N.
Published: August 2019

Although a great deal of research has focussed on and continues to focus on fraud prevention and detection, there is still no reliable way to predict who will become a white‐collar criminal/fraudster. Significant benefits would result if and when this can be done. This paper recognizes that there are many common characteristics that exist among fraudsters and investigates whether fraud can be predicted based on the psychological, sociological, and environmental state of children throughout their upbringing. Research shows that children with a negative childhood develop negative habits, emotions, and mentalities, including disorders that can linger well into their adult lives. These negative characteristics can ruin relationships and possibly even influence an individual to commit fraud. This paper provides initial evidence regarding the potential significance of some childhood characteristics that may contribute to the likelihood that someone will become a white‐collar criminal. Given that no other similar research exists, this paper may help guide future researchers who are also attempting to solve this complex problem.
CCL2 But Not CCR2 Is Required for Spontaneous Articular Cartilage Regeneration Post‐Injury
Authors: Jablonski Christina L. , Leonard Catherine , Salo Paul , Krawetz Roman J.
Published: August 2019

The role of the inflammatory response in articular cartilage degeneration and/or repair is often debated. Chemokine networks play a critical role in directing the recruitment of immune cells to sites of injury and have been shown to regulate cell behavior. In this study, we investigated the role of the CCL2/CCR2 signaling axis in cartilage regeneration and degeneration. CCL2−/−, CCR2−/−, CCL2−/−CCR2−/−, and control (C57) mice were subjected to full‐thickness cartilage defect (FTCD) injuries (n = 9/group) within the femoral groove. Cartilage regeneration at 4 and 12 weeks post‐FTCD was assessed using a 14‐point histological scoring scale. Mesenchymal stem cells (MSCs) (Sca‐1+, CD140a+), macrophages (M1:CD38+, M2:CD206+, and M0:F4/80+) and proliferating cells (Ki67+) were quantified within joints using immunofluorescence. The multi‐lineage differentiation capacity of Sca1+ MSCs was determined for all mouse strains. ACL transection (ACL‐x) was employed to determine if CCL2−/−CCR2−/− mice were protected against osteoarthritis (OA) (n  = 6/group). Absence of CCR2, but not CCL2 nor both (CCL2 and CCR2), enhanced spontaneous articular cartilage regeneration by 4 weeks post‐FTCD. Furthermore, increased chondrogenesis was observed in MSCs derived from CCR2−/− mice. CCL2 deficiency promoted MSC homing to the adjacent synovium and FTCD at both 4 and 12 weeks post‐injury; with no MSCs present at the surface of the FTCD in the remaining strains. Lower OA scores were observed in CCL2−/−CCR2−/− mice at 12 weeks post‐ACL‐x compared with C57 mice. Our findings demonstrate an inhibitory role for CCR2 in cartilage regeneration after injury, while CCL2 is required for regeneration, acting through a CCR2 independent mechanism. © 2019 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 37:2561–2574, 2019
Osteoarthritic Milieu Affects Adipose‐Derived Mesenchymal Stromal Cells
Authors: Manferdini Cristina , Paolella Francesca , Gabusi Elena , Cattini Luca , Rojewski Markus , Schrezenmeier Hubert , Addimanda Olga , Meliconi Riccardo , Lisignoli Gina
Published: August 2019

The objective of this study was to define the effects of osteoarthritic (OA) milieu on good manufactured practice‐adipose‐derived mesenchymal stromal cells (GMP‐ASC) that are commonly utilized in cell therapies. Two different OA milieu: OA synovial fluid (SF) and OA‐conditioned medium (CM) from synoviocytes were used to treat GMP‐ASC both in normoxia or hypoxia. GMP‐ASC were tested for cell migration, proliferation, cytokine receptors expression (CXCR1, CXCR2, CXCR3, CXCR4, CXCR7, CCR1, CCR2, CCR3, CCR5, IL6R), and cytokines (CXCL8/IL8, CXCL10/IP10, CXCL12/SDF‐1, CCL2/MCP1, CCL3/MIP1α, CCL4/MIP1β, CCL5/RANTES, IL6) release. Healthy SF was used as controls. We demonstrated that GMP‐ASC show an increase in proliferation, migration, and modulation of CXCR1, CXCR3, CCR1, and CCR5 receptors in hypoxic condition. Moreover, GMP‐ASC migration increased 15‐fold when treated either with OA‐SF or OA‐CM compared with healthy SF both in normoxia and hypoxia. GMP‐ASC treated in both OA milieu showed an increase in CXCR3, CCR3, and IL6R and a decrease in CCR1 and CCR2 receptors. In OA‐SF, we detected higher amount of CXCL10/IP10 than in OA‐CM, while CCL2/MCP1 and CCL4/MIP1β were higher in OA‐CM compared with OA‐SF. CXCL10/IP10 was the only chemokine of the OA milieu, which was down‐modulated after treatment with GMP‐ASC. In conclusion, we demonstrated specific effects of OA milieu on both GMP‐ASC proliferation, migration, and cytokine receptor expression that were strictly dependent on the inflammatory and hypoxic environment. The use of characterized OA milieu is crucial to define the therapeutic effect of GMP‐ASC and indicates that CXCL10/IP10–CXCR3 axis is partially involved in the GMP‐ASC effect on synovial macrophages. © 2019 The Authors.Journal of Orthopaedic Research® published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 38:336‐347, 2020
Application Properties of Bath Liquids for Children Based on Sodium Laureth Sulfate with Addition of Different Molecular Weight Collagens Derived from Marine Sources
Authors: Klimaszewska Emilia , Ogorzałek Marta , Seweryn Artur , Wasilewski Tomasz
Published: August 2019

This article investigates the influence of marine collagen of various molecular weights (Collagen Amino Acids—150 Da, Hydrolyzed Collagen—12,000 Da and Soluble Collagen—300,000 Da) on the functional properties of bath liquids for children based on anionic surfactants—sodium laureth sulfate. In addition to the aspects related to safety‐in‐use, which were presented in the authors' first work about marine collagen, consumers also expect bath cosmetics for children to have specific functional characteristics including viscosity or foaming properties. An increase in the molecular mass of marine collagen was found to be accompanied by an increase in dynamic viscosity and foaming ability and a decrease in the ability to emulsify fatty soil in the formulations under study. It can, therefore, be concluded that the addition of the highest molecular weight of marine collagen (300,000 Da) to bath liquids for children contributes not only to reducing the irritant effect caused by anionic surfactants, but also improves the usable properties of these types of cosmetics.
Accuracy of the Ultrasound Estimate of the Amniotic Fluid Volume (Amniotic Fluid Index and Single Deepest Pocket) to Identify Actual Low, Normal, and High Amniotic Fluid Volumes as Determined by Quantile Regression
Authors: Hughes Dawn S. , Magann Everett F. , Whittington Julie R. , Wendel Michael P. , Sandlin Adam T. , Ounpraseuth Songthip T.
Published: August 2019

Objectives

To identify abnormal amniotic fluid volumes (AFVs), normal volumes must be determined. Multiple statistical methods are used to define normal amniotic fluid curves; however, quantile regression (QR) is gaining favor. We reanalyzed ultrasound estimates in identifying oligohydramnios, normal fluid, and polyhydramnios using normal volumes calculated by QR.

Methods

Data from 506 dye‐determined or directly measured AFVs along with ultrasound estimates were analyzed. Each was classified as low, normal, or high for both the single deepest pocket (SDP) and amniotic fluid index (AFI). A weighted κ statistic was used to assess the level of agreement between the AFI and SDP compared to actual AFVs by QR.

Results

The overall level of agreement for the AFI was fair (κ = 0.26), and that for the SDP was slight (κ = 0.19). Although not statistically significant (P = .792), the positive predictive value to classify a low volume using the AFI was lower compared to the SDP (35% vs 43%). The positive predictive value for a high volume was higher using the AFI compared to the SDP (55% versus 31%) but not statistically significant. The missed‐call rate for high‐volume identification by the SDP versus AFI was statistically significant (odds ratio, 5.5; 95% confidence interval, 2.04–14.97). The missed‐call rate for low‐volume identification by the AFI versus SDP was not statistically significant (odds ratio, 3.3; 95% confidence interval, 0.96–11.53).

Conclusions

Both the AFI and SDP identify actual normal AFVs by QR, with sensitivity higher than 90%. The SDP is superior for identification of oligohydramnios, and the AFI superior for identification of polyhydramnios.
More than BOLD: Dual‐spin populations create functional contrast
Authors: Taylor Amanda J. , Kim Jung H. , Singh Vimal , Halfen Elizabeth J. , Pfeuffer Josef , Ress David
Published: August 2019

Purpose

Functional MRI contrast has generally been associated with changes in transverse relaxivity caused by blood oxygen concentration, the so‐called blood oxygen level dependent contrast. However, this interpretation of fMRI contrast has been called into question by several recent experiments at high spatial resolution. Experiments were conducted to examine contrast dependencies that cannot be explained only by differences in relaxivity in a single‐spin population.

Methods

Measurements of functional signal and contrast were obtained in human early visual cortex during a high‐contrast visual stimulation over a large range of TEs and for several flip angles. Small voxels (1.5 mm) were used to restrict the measurements to cortical gray matter in early visual areas identified using retinotopic mapping procedures.

Results

Measurements were consistent with models that include 2 spin populations. The dominant population has a relatively short transverse lifetime that is strongly modulated by activation. However, functional contrast is also affected by volume changes between this short‐lived population and the longer‐lived population.

Conclusion

Some of the previously observed “nonclassical” behaviors of functional contrast can be explained by these interacting dual‐spin populations.
Feasibility of neurochemically profiling mouse embryonic brain and its development in utero using 1H MRS at 14.1 T
Authors: Lei Hongxia , Montessuit Sylvie , Herzig Sébastien , Martinou Jean‐Claude
Published: August 2019

We aimed to evaluate the feasibility of neurochemical profiling of embryonic mouse brain developments in utero and to seek potential in vivo evidence of an energy shift in a mitochondrial pyruvate carrier 1 (MPC1) deficient mouse model. C57BL/6 embryonic mouse brains were studied in utero by anatomical MRI and short echo localized proton (1H) MRS at 14.1 T. Two embryonic stages were studied, the energy shift (e.g., embryonic day 12.5–13, E12.5–13) and close to the birth (E17.5–18). In addition, embryonic brains devoid of MPC1 were studied at E12.5–13. The MRI provided sufficient anatomical contrasts for visualization of embryonic brain. Localized 1H MRS offered abundant metabolites through the embryonic development from E12.5 and close to the birth, e.g., E17.5 and beyond. The abundant neurochemical information at E12.5 provided metabolic status and processes relating to cellular development at this stage, i.e., the energy shift from glycolysis to oxidative phosphorylation, evidenced by accumulation of lactate in E12.5–13 embryonic brain devoid of MPC1. The further evolution of the neurochemical profile of embryonic brains at E17.5–18 is consistent with cellular and metabolic processes towards the birth. Localized 1H MRS study of embryonic brain development in utero is feasible, and longitudinal neurochemical profiling of embryonic brains offers valuable insight into early brain development.
Repurposing an anti‐cancer agent for the treatment of hypertrophic heart disease
Authors: Dukinfield Matthew , Maniati Eleni , Reynolds Louise E , Aubdool Aisah , Baliga Reshma S , D'Amico Gabriela , Maiques Oscar , Wang Jun , Bedi Kenneth C , Margulies Kenneth B , Sanz‐Moreno Victoria , Hobbs Adrian , Hodivala‐Dilke Kairbaan
Published: August 2019

Coronary microvascular dysfunction combined with maladaptive cardiomyocyte morphology and energetics is a major contributor to heart failure advancement. Thus, dually enhancing cardiac angiogenesis and targeting cardiomyocyte function to slow, or reverse, the development of heart failure is a logical step towards improved therapy. We present evidence for the potential to repurpose a former anti‐cancer Arg‐Gly‐Asp (RGD)‐mimetic pentapeptide, cilengitide, here used at low doses. Cilengitide targets αvβ3 integrin and this protein is upregulated in human dilated and ischaemic cardiomyopathies. Treatment of mice after abdominal aortic constriction (AAC) surgery with low‐dose cilengitide (ldCil) enhances coronary angiogenesis and directly affects cardiomyocyte hypertrophy with an associated reduction in disease severity. At a molecular level, ldCil treatment has a direct effect on cardiac endothelial cell transcriptomic profiles, with a significant enhancement of pro‐angiogenic signalling pathways, corroborating the enhanced angiogenic phenotype after ldCil treatment. Moreover, ldCil treatment of Angiotensin II‐stimulated AngII‐stimulated cardiomyocytes significantly restores transcriptomic profiles similar to those found in normal human heart. The significance of this finding is enhanced by transcriptional similarities between AngII‐treated cardiomyocytes and failing human hearts. Taken together, our data provide evidence supporting a possible new strategy for improved heart failure treatment using low‐dose RGD‐mimetics with relevance to human disease. © 2019 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of Pathological Society of Great Britain and Ireland.