bluuebunny/crossref_metadata_2025 huggingface dataset:
Applying Climate Adaptation Strategies for Improvement of Management Indexes of a River–Reservoir Irrigation System†
Authors: Ashofteh Parisa‐Sadat , Rajaee Taher , Golfam Parvin , Chu Xuefeng
Published: April 2019

Among the various water users, the agricultural sector is the largest consumer of water in the world. Thus, the implementation of agricultural adaptation strategies is essential for an optimal allocation of water resources in a changing climate. The objective of this study is to examine the changes in management criteria for a multi‐purpose reservoir system and its downstream Gharanghu irrigation network in Iran under climate change. Five management scenarios were evaluated by changing cropping patterns. First, simulations were performed by using HadCM3 (under the A2) for different climatic scenarios to quantify future reservoir inflows and estimate the future downstream demand (2040–2069). The results showed that water resources decreased by 20% and water use increased by 25% compared to the baseline (1971–2000). Then, eight management indexes were calculated based on the water resources and uses simulated by the WEAP model for the future. The indexes were compared for conditions with and without applying the climate adaptation strategies. Results showed that flexibility increased by 19% and vulnerability decreased by 1.7% with demand management and a 5% reduction of water consumption, while flexibility increased by 38% and vulnerability decreased by 28% with a 20% reduction of demand. Applying adaptation strategies in agriculture can significantly reduce the negative effects of climate change. © 2019 John Wiley & Sons, Ltd.
Body Weight and Body Mass Index Influence Bone Mineral Density in Late Adolescence in a Two‐Year Follow‐Up Study. The Tromsø Study: Fit Futures
Authors: Nilsen Ole Andreas , Ahmed Luai Awad , Winther Anne , Christoffersen Tore , Thrane Gyrd , Evensen Elin , Furberg Anne‐Sofie , Grimnes Guri , Dennison Elaine , Emaus Nina
Published: April 2019

Determinants of bone acquisition in late adolescence and early adulthood are not well‐described. This 2‐year follow‐up study explored the associations of body weight (BW), body mass index (BMI), and changes in weight status with adolescent bone accretion in a sample of 651 adolescents (355 girls and 296 boys) between 15 and 19 years of age from The Tromsø Study: Fit Futures. This Norwegian population‐based cohort study was conducted from 2010 to 2011 and was repeated from 2012 to 2013. We measured femoral neck, total hip, and total body bone mineral content and areal bone mineral density (aBMD) by dual‐energy X‐ray absorptiometry. We measured height, BW, calculated BMI (kg/m
2), and collected information on lifestyle at both surveys. Mean BMI (SD) at baseline was 22.17 (3.76) and 22.18 (3.93) in girls and boys, respectively. Through multiple linear regression, baseline BW and BMI were positively associated with ∆aBMD over 2 years of follow‐up at all skeletal sites in boys (
p < 0.05), but not in girls. ∆BW and ∆BMI predicted ∆aBMD and ∆BMC in both sexes, but the strength of the associations was moderate. Individuals who lost weight during follow‐up demonstrated a slowed progression of aBMD accretion compared with those gaining weight, but loss of BW or reduction of BMI during 2 years was not associated with net loss of aBMD. In conclusion, our results confirm that adequate BW for height in late adolescence is important for bone health. Associations between change in weight status and bone accretion during follow‐up were moderate and unlikely to have any clinical implication on adolescents of normal weight. Underweight individuals, particularly boys, are at risk of not reaching optimal peak bone mass and could benefit from an increase in BMI. © 2019 The Authors. JBMR Plus is published by Wiley Periodicals, Inc. on behalf of the American Society for Bone and Mineral Research.
Efficacy of three filgrastim‐intended copies for hematopoietic stem cell mobilization in healthy adult and pediatric donors in Mexico
Authors: Gómez‐De León Andrés , Bugarin‐Estrada Emmanuel , Colunga‐Pedraza Perla R. , Colunga‐Pedraza Julia E. , Salazar‐Riojas Rosario , Valdés‐Galván Mayra , López‐García Yadith K. , López‐Garza Mariana , Gutiérrez‐Aguirre César H. , Cantú‐Rodríguez Olga G. , Mancías‐Guerra Consuelo , González‐Llano Oscar , Gómez‐Almaguer David
Published: April 2019

Introduction

The use of filgrastim biosimilars for healthy adult and pediatric donor mobilization in hematopoietic stem cell transplantation has been met with increased safety and efficacy concerns in contrast to generic small molecule drugs. In Mexico, several filgrastim‐intended copies (FIC) have been available and marketed since 2001, while no clinical comparability studies to evaluate their use in this setting have been published and thus are not considered to be true biosimilars. In this study, we report our experience using three different FIC products currently available (Filatil, Dextrifyl, and Biofilgran).

Methods

We retrospectively evaluated 118 related donors of all ages who received any brand 5 μg/kg subcutaneously twice daily for 4 days and were harvested in a single apheresis system on day 5.

Results

Donors had a median age of 38 years (range, 1‐69). A successful harvest defined as ≥2 × 106 CD34+ cells/kg of recipient weight was achieved in 95.8% of cases, with a median CD34+ cell dose of 9.4 × 106/kg (range 1‐42.8). A single apheresis session was performed in 89.8% of cases. No significant difference in cell yield between each brand was observed. All pediatric donors had a successful harvest with similar results to adult donors. No immediate severe adverse effects were documented in any case.

Conclusions

In conclusion, three FICs available in Mexico were efficacious and without immediate severe adverse effects, resulting in significant cost savings. Evaluation of immunogenicity and establishment of a pharmacovigilance program with the use of FICs is warranted.
Amine‐based cationic surfactants: synthesis and utilization of their physical properties to prepare liposomes
Authors: Cho Jung‐Eun , Shin Hye‐Rin , Jeong Noh‐Hee
Published: April 2019

BACKGROUND

Liposomes were prepared from cationic surfactants synthesized using three amines, namely triethylamine (TEA), tripropylamine (TPA) and tributylamine (TBA), and their antimicrobial activities were examined. The structures of the synthesized cationic surfactants were analyzed by Fourier transform infrared spectroscopy and proton nuclear magnetic resonance spectroscopy.

RESULTS

The critical micelle concentration and surface tension of the surfactants were in the ranges 1.9 × 10−3–8.1 × 10−4 mol L−1 and 16.2–25.7 dyn cm−1, respectively. The resulting maximum surface excess concentration and minimum area per molecule were also reported. In addition, the foaming power and emulsion stability of the three synthesized surfactant types were measured. For the liposomes prepared using these surfactants, longer alkyl chains corresponded to larger‐sized clean zones. TEA‐16, TPA‐16 and TBA‐16 showed strong antimicrobial activity.

CONCLUSION

An easy synthetic method for cationic surfactants from TEA, TPA and TBA has been reported. By comparing the measured surfactant physical properties corresponding to the alkyl chain lengths of the three amines, it was determined that the clean area per molecule increased with increasing amine chain length. Liposomes were also synthesized using the cationic surfactants, and their associated antimicrobial properties were studied for application as future antimicrobial substances. © 2019 Society of Chemical Industry
Age‐related reproduction of female Mongolian racerunners (Eremias argus; Lacertidae): Evidence of reproductive senescence
Authors: Ma Li , Guo Kun , Su Shan , Lin Long‐Hui , Xia Yuan , Ji Xiang
Published: April 2019

The reproductive maturation hypothesis, the terminal investment hypothesis, and the senescence hypothesis are the most extensively evaluated hypotheses proposed to explain age‐related patterns of reproduction in iteroparous organisms. Here, we evaluated these hypotheses for the Mongolian racerunner (Eremias argus), a short‐lived lacertid lizard, by comparing reproductive traits between females that completed reproductive cycles under the same laboratory conditions in two consecutive years (2008 and 2009). Reproductive females gained linear size (snout‐vent length) not only as they got 1 year older but also during the breeding season. Larger females generally laid eggs earlier and invested more in reproduction than did smaller ones. Females switched from laying smaller eggs in the first clutch to larger eggs in the subsequent clutches but kept clutch size and postpartum body mass constant between successive clutches in a breeding season and between years. Females that laid more clutches or eggs in 2008 did not lay fewer clutches or eggs in 2009. Of the traits examined, only clutch frequency, annual fecundity, and annual reproductive output were susceptible to ageing. Specifically, the clutch frequency was reduced by 1.1 clutches, annual fecundity by 3.1 eggs and annual reproductive output by 1.0 g in 2009 compared with 2008. Our results suggest that the reproductive maturation hypothesis better explains patterns of reproduction in young or prime‐aged females of E. argus, whereas the senescence hypothesis better explains reproductive patterns in old females. The terminal investment hypothesis does not apply to any trait examined because no trait value was maximized in old females.
Metformin ameliorates experimental diabetic periodontitis independently of mammalian target of rapamycin (mTOR) inhibition by reducing NIMA‐related kinase 7 (Nek7) expression
Authors: Zhou Xinyi , Zhang Peng , Wang Qian , Ji Ning , Xia Sisi , Ding Yi , Wang Qi
Published: April 2019

Background

Metformin, a classical treatment for diabetes mellitus, has shown sound anti‐inflammatory effects. Emerging studies have focused on the mechanism underlying inflammation‐related diabetic complications, such as diabetic periodontitis. Herein, we investigated the anti‐inflammatory effects of metformin on the NIMA‐related kinase 7 (Nek7)/nucleotide‐binding oligomerization domain (NOD)‐like receptor family pyrin domain containing 3 (NLRP3) pathway both in vivo and in vitro in experimental diabetic periodontitis.

Methods

All procedures were conducted in Porphyromonas gingivalis (Pg)‐infected streptozotocin (STZ)‐induced diabetic mice and in lipopolysaccharide (LPS)‐treated RAW 264.7 cells under high‐glucose conditions. A range of techniques were performed in this study: microcomputed tomography, western blotting, and immunofluorescence were used to analyze periodontal tissues. Enzyme‐linked immunosorbent assay (ELISA) was for serum interleukin‐1β (IL‐1β) detection. Specific pharmacological inhibition was used to stimulate cells. Flow cytometry was implemented to analyze cell cycle.

Results

We found that metformin treatment can robustly ameliorate periodontal infection and tissue destruction and reduce blood glucose and serum IL‐1β levels in mice with diabetic periodontitis. Moreover, gingival tissue exhibited less macrophage infiltration and decreased expression of Nek7, NLRP3, caspase‐1, and mammalian target of rapamycin (mTOR), which were simultaneously observed in RAW 264.7 cell models stimulated with metformin. Metformin also affected the cell cycle in a dose‐dependent way. Furthermore, after stimulation with the mTOR inhibitor rapamycin, additional metformin treatment could still downregulate Nek7/NLRP3.

Conclusions

Our research indicated that metformin significantly attenuated experimental diabetic periodontitis both in vivo and in vitro. Metformin suppressed the inflammatory state by inhibiting Nek7 expression to decrease NLRP3 inflammasome activity. Interestingly, mTOR inhibition was not involved in metformin‐induced Nek7 downregulation. The observed Nek7 reduction could be related to metformin‐mediated cell cycle arrest.
Magnetic mesoporous polyimide composite for efficient extraction of Rhodamine B in food samples
Authors: Hu Kai , Cheng Jiamin , Lu Binbin , Zhao Wenjie , Dong Chunhong , Yang Huaixia , Huang Yanjie , Zhang Shusheng
Published: April 2019

A core‐shell structured magnetic polyimide composite has been synthesized by the covalent coating of a mesoporous polyimide polymer onto the surface of magnetite nanoparticles. The nanocomposite was characterized by scanning electron microscopy, transmission electron microscopy, N2 adsorption‐desorption isotherms, X‐ray diffraction, infrared spectroscopy, and vibrating sample magnetometry. The results showed that the prepared composite had a large surface area (306.45 m²/g), a unique pore size (2.15 nm), and strong magnetic properties (45.7 emμ/g), rendering it a promising sorbent material for magnetic solid‐phase extraction. The parameters that affect the extraction efficiency of rhodamine B were optimized with the assistance of response surface methodology. Under the optimal conditions, the developed method has been successfully applied to determine the rhodamine B in food samples. The linearities and limits of detection of rhodamine B in hot pepper, red wine, and chili powder samples were measured. Satisfactory recoveries in the range of 94.8–103.3% with relative standard deviations <5.5% were obtained. Investigation of the adsorption mechanism of magnetic polyimide composite indicated that multiple interactions, including hydrophobic, π‐π, and hydrogen bonding interactions, were involved in the adsorption process.
Use of a Real‐Time Stress Map for Assessment of Applied Stress for Strain Elastography: Utility in Training and Computation of Strain Ratios
Authors: Barr Richard G. , Nikolov Svetoslav Ivanov
Published: April 2019

Objectives

There is a significant learning curve in strain elastography. Uniform appropriate levels of stress must be applied for accurate elastograms. If the stress is not applied appropriately, inaccurate results will be obtained, particularly when strain ratios are being estimated. This paper describes a new technique which allows the real‐time visualization of the applied stress with a color‐coded stress map. The potential use of this map is discussed.

Methods

Ten patients (5 breast, 5 thyroid) and phantoms were scanned using the stress map. The stress applied was varied and the resultant change in the strain image evaluated.

Results

The stress map was able to document if appropriate stress was applied when performing strain elastography. When inappropriate stress was applied or physiological process effected the strain image the stress map demonstrated the areas of inaccurate measurements in the stress map.

Conclusions

The display of a stress map that depicts the degree and uniformity of applied stress would be helpful both for training of the appropriate technique, for confirming that the elastogram is appropriate for evaluation, and that strain ratio estimates are accurate.
Modeling vertical gradients in water columns: A parametric autoregressive approach
Authors: Pujoni Diego G. F. , Brighenti Ludmila S. , Bezerra‐Neto José F. , Barbosa Francisco A. R. , Assunção Renato M. , Maia‐Barbosa Paulina M.
Published: April 2019

Vertical gradients (e.g., water temperature and density) are a measurable expression of the potential energy of a water body, which is a fundamental driver for biogeochemical processes in aquatic ecosystems. Seasonal vertical stratification is typically described by the mixed layer and thermocline depths, and these metrics are often estimated through visual assessment of graphical plots or using numerical methods. The most widely used numerical method estimates the derivative of temperature (or density) along the depth, but it is sensitive both to profile data resolution and presence of nonconforming observations. In this study, we propose a new method of modeling vertical gradients using a four‐parameter sigmoidal function, including temporal autocorrelation. The parameters were estimated through Bayesian nonlinear regression with conditional autoregressive errors. The proposed method provides a quantitative and automated way to estimate the mixed layer and thermocline depths even for data profiles with a poor resolution. It also showed good performance against high‐frequency measurement data.
Chronic Kidney Disease After Liver Transplantation: Impact of Extended Criteria Grafts
Authors: Kalisvaart Marit , Schlegel Andrea , Trivedi Palak J. , Roberts Keith , Mirza Darius F. , Perera Thamara , Isaac John I. , Ferguson James , de Jonge Jeroen , Muiesan Paolo
Published: April 2019

The use of extended criteria donor (ECD) grafts has been associated with acute kidney injury (AKI) after liver transplantation. However, the relation between graft quality and development of chronic kidney disease (CKD) remains unknown. Therefore, the aim of this study was to analyze the impact of ECD grafts for CKD after liver transplantation. All patients (2007‐2015) transplanted for end‐stage liver disease at our center were assessed. Longterm kidney function was divided into 4 groups: no CKD (estimated glomerular filtration rate [eGFR], ≥60 mL/minute/1.73 m2), mild CKD (eGFR, 30‐59 mL/minute/1.73 m2), severe CKD (eGFR, 15‐29 mL/minute/1.73 m2), and end‐stage renal disease (ESRD). Marginal donation after brain death (DBD) grafts (donor age, >70 years; body mass index, >35 kg/m2; cold storage, >12 hours) and donation after circulatory death (DCD) grafts were considered ECD grafts. Overall, 926 patients were included, and 43% received an ECD graft (15% marginal DBD; 28% DCD). After 5 years, 35% developed CKD; severe CKD and ESRD occurred in only 2% and 1%, respectively. CKD rates were comparable for all 3 graft groups (standard group, 36%; marginal DBD group, 29%; DCD group, 35%; standard versus marginal DBD groups, P = 0.16; standard versus DCD group, P = 0.80). None of the ECD criteria were identified as independent risk factors in a Cox regression model for CKD. Risk factors included recipient age, female sex, and preoperative kidney function. Furthermore, recipients who had severe acute kidney injury (AKI; Kidney Disease: Improving Global Outcomes stages 2 and 3) had a 1.8‐fold increased risk for CKD. Longterm kidney function of recipients with severe AKI depended on the recovery of kidney function in the first postoperative week. In conclusion, there is no direct relation between the use of ECD grafts and CKD after liver transplantation. However, caution should be taken in recipients who experience severe AKI, regardless of graft type.
Scanning Kelvin probe study of steel/oil interfaces for corrosion evaluation
Authors: Singh Arun Kumar , Rani Nitu
Published: April 2019

Rust preventive oil (RPO) provides temporary protection to steel during storage and transit. Premature failure occurs as surface defects due to inefficient RPO quality. Conventional corrosion tests like salt spray and cyclic corrosion provide minimum information about corrosion mechanism. We applied separately three RPO, named here as A–C, on bearing steels and their corrosion performance was examined by scanning Kelvin probe (SKP). The corrosion potential of samples lowered after oil application. It seems that oil film delayed oxygen reduction reaction. Later, oiled samples were exposed in salt spray test (SST) and again examined by SKP at different time interval. The SKP result showed that oiled sample A corrosion potential increased during SST exposure. Oil A might develop passivity on steel surface. It is also supported by least red rust formed on oiled sample A in SST. Fourier transform infrared spectroscopy, inductively coupled plasma and chemical analysis of oils were performed to interpret the SKP outcome. Oil A possesses low oxidation peak, low total acid number, and high total base number that signify higher corrosion resistant. Finally, SKP findings are in‐line with the conventional corrosion tests‐salt spray and condensation water tests.
Re‐establishing the paradigm for evaluating halide salt compatibility to study commercial chloride salts at 600°C–800°C
Authors: Pint Bruce A. , McMurray Jake W. , Willoughby Adam W. , Kurley J. Matthew , Pearson Samuel R. , Lance Michael J. , Leonard Donovan N. , Meyer Harry M. , Jun Jiheon , Raiman Stephen S. , Mayes Richard T.
Published: April 2019

Chloride salts are one candidate for a >700°C concentrating solar power (CSP) cycle, however, many reports from the literature suggest very high reaction rates between chloride salts and structural alloys. Historically, a specific methodology was established for evaluating halide salt compatibility based on solution kinetics. This study returned to that paradigm where the salts are purified and evaluated in sealed capsules before moving to a flowing experiment to determine a true corrosion rate in a temperature gradient for a commercial K–Mg–Na chloride salt. Isothermal testing focused on Ni‐based alloys 230 and 600 at 600°C–800°C. The results indicated there were promising combinations of salt chemistry, temperature, and alloy composition that reduce the extent of reaction. The results of the first monometallic thermal convection loop of alloy 600 run for 1,000 hr with a peak temperature of 700°C showed low attack with rates ≤9 µm/yr.
Feasibility of utilizing 2304 duplex stainless steel rebar in seawater concrete: Passivation and corrosion behavior of steel rebar in simulated concrete environments
Authors: Shang Baihui , Ma Yuantai , Meng Meijiang , Li Ying
Published: April 2019

The feasibility of using 2304 duplex stainless steel rebar in seawater concrete was determined by studying the passivation and corrosion behavior of steel in solutions simulated curing and service stage of concrete, respectively. The results demonstrate that 2304 duplex stainless steel rebar could be used with seawater concrete because of a stable passive film formed on the steel surface during the curing stage of concrete even in the presence of 2 M chloride ions. However, due to the synergistic effect of concrete carbonation, the rebar suffered a corrosive attack by chloride due to the lack of OH− inhibition.
Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR
Authors: Rácz Anita , Bajusz Dávid , Héberger Károly
Published: April 2019

QSAR/QSPR (quantitative structure‐activity/property relationship) modeling has been a prevalent approach in various, overlapping sub‐fields of computational, medicinal and environmental chemistry for decades. The generation and selection of molecular descriptors is an essential part of this process. In typical QSAR workflows, the starting pool of molecular descriptors is rationalized based on filtering out descriptors which are (i) constant throughout the whole dataset, or (ii) very strongly correlated to another descriptor. While the former is fairly straightforward, the latter involves a level of subjectivity when deciding what exactly is considered to be a strong correlation. Despite that, most QSAR modeling studies do not report on this step. In this study, we examine in detail the effect of various possible descriptor intercorrelation limits on the resulting QSAR models. Statistical comparisons are carried out based on four case studies from contemporary QSAR literature, using a combined methodology based on sum of ranking differences (SRD) and analysis of variance (ANOVA).
Phase‐fitted, six‐step methods for solving x′′  =  f(t,x)
Authors: Liu Chenglian , Hsu Chieh‐Wen , Simos T. E. , Tsitouras Ch.
Published: April 2019

An explicit, six‐step method of sixth order is presented and tuned for the numerical solution of x′′  =  f(t,x). This method is explicit, hybrid, and uses two function evaluations (stages) per step. Its coefficients are varied and depend on the step size. This variance comes from the demand of the method to nullify the phase errors produced when solving the standard simple oscillator. The first and second derivative of this error vanish also. Numerical tests in a set of relevant problems illustrate the efficiency of the newly derived method.
Autonomic neurophysiologic implications of disorders comorbid with bladder pain syndrome vs myofascial pelvic pain
Authors: Chelimsky Gisela G. , Yang Sheng , Sanses Tatiana , Tatsuoka Curtis , Buffington C. A. Tony , Janata Jeffrey , McCabe Patrick , Dombroski Mary‐Alice , Ialacci Sarah , Hijaz Adonis , Mahajan Sangeeta , Zolnoun Denniz , Chelimsky Thomas C.
Published: April 2019

Aims

The neuropathophysiology of a debilitating chronic urologic pain condition, bladder pain syndrome (BPS), remains unknown. Our recent data suggests withdrawal of cardiovagal modulation in subjects with BPS, in contrast to sympathetic nervous system dysfunction in another chronic pelvic pain syndrome, myofascial pelvic pain (MPP). We evaluated whether comorbid disorders differentially associated with BPS vs MPP shed additional light on these autonomic differences.

Methods

We compared the presence and relative time of onset of 27 other medical conditions in women with BPS, MPP, both syndromes, and healthy subjects. Analysis included an adjustment for multiple comparisons.

Results

Among 107 female subjects (BPS alone = 32; BPS with MPP = 36; MPP alone = 9; healthy controls = 30), comorbidities differentially associated with BPS included irritable bowel syndrome (IBS), dyspepsia, and chronic nausea, whereas those associated with MPP included migraine headache and dyspepsia, consistent with the distinct autonomic neurophysiologic signatures of the two disorders. PTSD (earliest), anxiety, depression, migraine headache, fibromyalgia, chronic fatigue, and IBS usually preceded BPS or MPP. PTSD and the presence of both pelvic pain disorders in the same subject correlated with significantly increased comorbid burden.

Conclusions

Our study suggests a distinct pattern of comorbid conditions in women with BPS. These findings further support our hypothesis of primary vagal defect in BPS as compared with primary sympathetic defect in MPP, suggesting a new model for chronic these pelvic pain syndromes. Chronologically, PTSD, migraine, dysmenorrhea, and IBS occurred early, supporting a role for PTSD or its trigger in the pathophysiology of chronic pelvic pain.
Conservative discretizations and parameter‐robust preconditioners for Biot and multiple‐network flux‐based poroelasticity models
Authors: Hong Qingguo , Kraus Johannes , Lymbery Maria , Philo Fadi
Published: April 2019

The parameters in the governing system of partial differential equations of multiple‐network poroelasticity models typically vary over several orders of magnitude, making its stable discretization and efficient solution a challenging task. In this paper, we prove the uniform Ladyzhenskaya–Babuška–Brezzi (LBB) condition and design uniformly stable discretizations and parameter‐robust preconditioners for flux‐based formulations of multiporosity/multipermeability systems. Novel parameter‐matrix‐dependent norms that provide the key for establishing uniform LBB stability of the continuous problem are introduced. As a result, the stability estimates presented here are uniform not only with respect to the Lamé parameter λ but also to all the other model parameters, such as the permeability coefficients Ki; storage coefficients
; network transfer coefficients βi j,i,j = 1,…,n; the scale of the networks n; and the time step size τ. Moreover, strongly mass‐conservative discretizations that meet the required conditions for parameter‐robust LBB stability are suggested and corresponding optimal error estimates proved. The transfer of the canonical (norm‐equivalent) operator preconditioners from the continuous to the discrete level lays the foundation for optimal and fully robust iterative solution methods. The theoretical results are confirmed in numerical experiments that are motivated by practical applications.
Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water
Authors: Estrada F. G. A. , Marques J. M. C. , Valente A. J. M.
Published: April 2019

The use of pesticides in agriculture is known to have environmental impacts, namely it leads to underground and spring water contamination. Thus, it turns out that nowadays general‐endeavor towards the sustainability of farmer production requires novel strategies to capture pesticides from water and soils. We propose a methodology based on molecular dynamics simulations to identify polymers that are potentially featured to be applied for pesticide remediation in water and soils. We have employed cymoxanil (CYM), glufosinate ammonium (GLF), imidacloprid (IMI) and mancozeb (MAN) as pesticides, and have tested polymers with different characteristics as removing agents. Specifically, we have investigated oligomers of polypropylene (PP), poly(acrylic acid) protonated (PAAH) and deprotonated (PAA), and chitosan protonated (CTH) and deprotonated (CT). It has been found that all oligomers show a certain degree of selectivity concerning the interaction with the tested pesticides.
The Balkan experience: Explanations of public affairs and interest group activity
Authors: Fink‐Hafner Danica , Thomas Clive S.
Published: April 2019

This final article is a synthesis of findings from the seven country studies in this special issue. Although there are characteristics common to all group systems, particularly those transitioning to democracy, there are also significant differences. Analysis of these differences reveals a direct relationship between both the level of socioeconomic and political development and the characteristics of the group systems in all Balkan countries. In addition, we provide new insights into group system development and operation. These are particularly related to the impact of war, inter‐ethnic cleavages, constitutional arrangements (majoritarian and consociational), economic crises, geopolitics, and the major presence of external interests.
Hugely enhanced flame retardancy and smoke suppression properties of UHMWPE composites with silicone‐coated expandable graphite
Authors: Wang Huaming , Cao Jingshi , Luo Fubin , Cao Changlin , Qian Qingrong , Huang Baoquan , Xiao Liren , Chen Qinghua
Published: April 2019

In this paper, silicone‐coated intumescent flame retardants was prepared by an efficient and simple approach, aiming at enhancing the flame‐retardant efficiency and smoke suppression properties. The surface of expandable graphite (EG) was treated prior to the coverage of nonflammable silicone. The resultant silicone‐modified EG hybrid (SEG) was combined with ammonium polyphosphate (APP) and applied as a flame‐retardant and smoke‐suppressant for ultrahigh molecular weight polyethylene (UHMWPE). Compared with UHMWPE/APP/EG (with 15 wt% APP/EG), UHMWPE/APP/SEG (with 15 wt% APP/SEG) gives decrement by 18.5% in the peaks of the heat release rate, 6.33% in total heat release and 13.6% in total smoke release, whereas increment by 23% in tensile strength and 12.1% in elongation at break, respectively. It is suggested that the introduction of silicone on the surface of EG can improve the interfacial compatibility between EG and UHMWPE. Moreover, it can lead to forming more char residue and reducing the release of smoke particulates during combustion process of the composites.
Utility of thromboelastography for the diagnosis of von Willebrand disease
Authors: Regling Katherine , Kakulavarapu Srikruthi , Thomas Ronald , Hollon Wendy , Chitlur Meera B.
Published: April 2019

Von Willebrand disease (VWD) is an inherited bleeding disorder that is caused by a quantitative or qualitative deficiency of von Willebrand factor (VWF). The National Heart, Lung, and Blood Institute (NHLBI) guidelines for the diagnosis of VWD state that a VWF activity (VWF:RCo) of <30 IU/dL or <50 IU/dL with symptoms of clinical bleeding are consistent with the diagnosis of VWD. However, current gold‐standard diagnostic testing takes days to have complete results. Thromboelastography (TEG) is a testing method that provides a graphical trace that represents the viscoelastic changes seen with fibrin polymerization in whole blood, therefore providing information on all phases of the coagulation process. This study describes the TEG characteristics in 160 patients who presented for workup of a bleeding disorder and a subset of those were subsequently diagnosed with VWD. The TEG parameters, K‐time (representing the dynamics of clot formation) and the maximal rate of thrombus generation (MRTG), were found to be sensitive in detecting patients with VWF:RCo <30 IU/dL. The TEG, unlike VWF:RCo, can be done in real time, and results are available to the clinician within an hour. This will definitely be beneficial in acute situations such as evaluation of and management of acute bleeding in patients with acquired deficiencies of VWF and may play an important role in the surgical management of patients with VWD.
Risk of second breast cancer events with chronic opioid use in breast cancer survivors
Authors: Boudreau Denise M. , Chen Lu , Yu Onchee , Bowles Erin J. Aiello , Chubak Jessica
Published: April 2019

Purpose

Opioids may increase cancer risk and progression through multiple pathways. Our objective was to estimate the association between chronic opioid use and risk of second breast cancer events (SBCEs).

Methods

Cohort study of women greater than or equal to 18 years, diagnosed with early stage breast cancer between January 1, 1990, and December 31, 2008, and enrolled in a large health plan for 1+ years before and after (unless died) diagnosis. SBCEs were defined as evidence of recurrence or second primary breast cancer in the medical chart. Chronic opioid use was defined as 75+ days of use in any moving 90‐day window after breast cancer diagnosis and varied to 150+ days in a 180‐day window in a sensitivity analysis. Using Cox proportional hazards models, we estimated hazard ratios (HRs) and 95% confidence intervals (CIs) for SBCE and components of SBCE by chronic opioid use.

Results

Almost 10% met the criteria for chronic use and almost a third of users were taking opioids for greater than 3 years. Risk of SBCEs (HR = 1.20; 95% CI, 0.85‐1.70), including second primary breast cancer (HR = 1.38; 95% CI, 0.71‐2.70), was nonsignificantly higher among chronic users vs nonchronic/nonusers. The HR for recurrence was 1.14 (95% CI, 0.76‐2.70). Results of the sensitivity analyses on longer opioid use does support an association with SBCE or recurrence.

Conclusion

This first US‐based study on chronic opioid use and cancer outcomes provides some reassurance on safety. However, the question warrants further exploration in other populations and settings.
Polyaniline modified mesoporous titanium dioxide that enhances oxo‐biodegradation of polyethylene films for agricultural plastic mulch application
Authors: Xu Jiezhen , Wang Xiao , Yuan Xiaoming , Tao Junjie , Peng Shujing , Yang Wei , Dong Xianming , Zhang Chaoqun , Luo Ying
Published: April 2019

Mesoporous titanium dioxide (M‐TiO2) nanoparticles were successfully prepared followed by chemical modification with different contents of polyaniline (PANI/M‐TiO2) and were used to accelerate the photo‐oxidation and biodegradation process of low‐density polyethylene (LDPE) film. The influence of these additives as a pro‐oxidant additive on the accelerated degradation of LDPE was investigated by photocatalytic oxidation under UV light irradiation and biodegradation with fungal strains. It was found that the as‐prepared PANI modified M‐TiO2 particles exhibited an obvious light response from 400 to 800 nm which can improve the utilization of solar light. Compared with M‐TiO2, PANI/M‐TiO2 exhibited better photocatalytic performance when irradiated under UV light and the subsequent biodegradation efficiency was enhanced. Enhancement of the photocatalytic performance of PANI/M‐TiO2 could be attributed to good dispersibility and compatibility of PANI/M‐TiO2 in the LDPE matrix, a narrow band gap, effective separation of photogenerated electron–hole pairs and the chromophoric group of PANI which was used as a photosensitizer in the LDPE/PANI/M‐TiO2 composite film. © 2019 Society of Chemical Industry
Fabrication of Al and Ga Co‐Doped ZnO Films on Flexible Substrates and Control Charts Monitor Deposition Process
Authors: Lin Chuanjin , Li Xiuyan , Xu Chunyao
Published: April 2019

Al and Ga co‐doped zinc oxide (AGZO) films are deposited onto flexible poly(ethylene terephthalate) (PET) substrates by radio frequency magnetron sputtering. Before the AGZO film coating, oxygen plasma etching is used to modify the surface of the PET substrate. The results show that the substrate is very hydrophilic. This study determines the effect of the deposition parameters on the structural, morphological, and optoelectronic performances of AGZO films. Based on the gray Taguchi analysis for the AGZO film coatings show that the electrical resistivity is decreased to 6.30 × 10−3 Ω cm and the optical transmittance is increased to 81.0%. The XRD diffraction and TEM images show that the AGZO films exhibit a hexagonal ZnO wurtzite structure. A comparison of the PET substrates that do or do not undergo plasma pretreatment, shows that the AGZO films coating there is a 4.7% improvement in elastic recovery, a 13.65% improvement in hardnessH, a 1.69% improvement in the elastic modulusE, a 12.15% improvement in inH/E, and a 42.06% improvement inH3/E2. Shewhart control charts are used to monitor the deposition processes for the AGZO films. Finding shown that the deposition parameters for the films and process performance are in control and stable.
SnO­2 Tailored by CuO for Improved CH4 Sensing at Low Temperature
Authors: Das Arindam , Panda Dipankar
Published: April 2019

Trace level methane (CH4) detection is demonstrated at low temperature. Functional metal oxide of SnO2 tailored by CuO is prepared via a co‐precipitation chemical route followed by annealing in air. Raman spectroscopy confirms presence of Ag mode of CuO at 290 cm−1 along with A1g mode of SnO2 at 630 cm−1. Results from the X‐ray diffraction and transmission electron microscope indicate that both crystalline SnO2 and CuO are present in the composite. Particle size of SnO2 is found to be larger in the composite than the pristine‐annealed SnO2 of 25 nm at 800 °C. However, sensor studies with CH4 reveal stronger response and low operational temperature of 100 °C for the composite in comparison to the pristine‐annealed SnO2 which shows poor response (<1%) even at higher temperature of 150 °C. Current–voltage measurements support the formation of local p–n junctions in the CuO–SnO2 composite. The role of n–p junction in the composite is elaborated and correlated to the improved response.
Non‐Stoichiometry Induced Switching Behavior of Ferroelectric Photovoltaic Effect in BaTiO3 Ceramics
Authors: Xiang Hao , Zhang Faqiang , Yi Zhiguo , Ma Mingsheng , Gu Yan , Liu Feng , Li Yongxiang , Liu Zhifu
Published: April 2019

Ferroelectric photovoltaic (FPV) effect has been studied among a series of non‐stoichiometric BaTiO3 (Ba/Ti = 0.92–1.05) ceramic chips prepared by tape casting method. The FPV performance increases abruptly when the Ba/Ti molar ratio deviates from the stoichiometry within 1%. Meanwhile, a photocurrent direction switching behavior is observed between Ti‐excess and Ba‐excess samples. The TEM analysis shows their significant difference in grain‐boundary (GB), where abnormal GB with a width of 10–15 nm is observed in Ba‐excess sample. The photocurrent switching phenomenon is described to the competition between the asymmetrical Schottky barriers induced PV effect and intrinsic FPV effect. Widen GB in Ba‐excess BaTiO3 ceramics restrains the intrinsic FPV effect and results in the switching behavior. This study offers direct evidence of the vital role of GB in FPV effect and may promote the development of photovoltaic devices.
Technological revolution, sustainability, and development in Africa: Overview, emerging issues, and challenges
Authors: Amankwah‐Amoah Joseph
Published: April 2019

The paper examines the silent technological revolution in sub‐Saharan Africa focusing on emerging issues and challenges. In view of the centrality of technology diffusion in fostering local innovations and economic development in developing countries, it is surprising that our understanding of the challenges and opportunities in scaling‐up technologies remains limited. This paper capitalises on the ongoing silent technological revolution in sub‐Saharan Africa to present an overview of how new technologies have been adopted and utilised to achieve sustainability. The study identified a host of factors such as weak regulatory enforcement systems, lack of financial credit availability, and limited banking services, which have created conditions for technological innovations such as mobile phone‐based banking, mPedigree, “cardiopad,” and M‐PEPEA to emerge. The public policy implications and directions for future research are identified and examined.
Palladium Impregnated Amine Co‐condensed Hexagonal Mesoporous Silica: A Novel Catalyst in Tailoring Suzuki and Heck Coupling Reactions in Base Free Condition
Authors: Paramita Das Prangya , Prabhakaran Vinod C , Nanda Samik , Sen Debasis , Chowdhury Biswajit
Published: April 2019

Palladium impregnated amine co‐condensed hexagonal mesoporous silicas (HMS−X) were synthesized (sol‐gel process) using different amines (Ethylene diamine and pyridine) of various concentrations (0.25 equiv. and 2 equiv.). The effect of amine concentration on the local structure of hexagonal mesoporous silica was studied. The catalyst shows excellent catalytic activity and high TOF towards both Suzuki and Heck coupling reactions without using any base in reaction medium with the solvent DMF:water in (1:1) ratio. The catalyst was reused and it was recyclable up to three cycle without any appreciable loss of activity and the kinetics of the reaction varying different parameters also have been studied thoroughly.
Synthesis and Catalytic Properties of a Sandwich‐Type Tungstogermanate [Co4(H2O)2(GeW9O34)2]12−
Authors: Xu Li , Tian Hongrui , Lu Ying , Li Xiaohui , Sun Xiuwei , Zhang Zhong , Dang Tianyi , Liu Shuxia
Published: April 2019

A sandwich‐type tungstogermanate, namely, {H2[Co(2,2′‐bpy)3][Co(2,2′‐bpy)]2[Co(2,2′‐bpy)2(H2O)]2[Co4(H2O)2(Ge‐W9O34)2]}⋅4H2O (1) was isolated by hydrothermal method. 1 has been identified by single crystal X‐ray diffraction, elemental analysis, thermogravimetric analysis, powder X‐ray diffraction and FTIR. Structural analysis revealed that 1 was composed of sandwich‐like polyoxoanion [Co4(H2O)2(GeW9O34)2]12− and two [Co(2,2’‐bpy)]2+ and two [Co(2,2’‐bpy)2(H2O)]2+ units. 1 showed excellent Lewis acid catalytic activity for synthesis of cyclohexanone glycol ketal with 98% conversion. The energy gap (Eg) of 1 was 1.67 eV indicating 1 is a semiconductor material and its photodecomposition rate of RhB was 99%. In addition, the magnetic properties showed that antiferromagnetic interactions exist between Co2+ ions.
Comparison of N‐Hydroxy Compounds as Mediators in Laccase‐Catalysed Decolorization of Indigo Carmine
Authors: Kushch Olga V. , O. Iryna , Hordieieva  , Zosenko Olha O. , Shendrik Alexander N.
Published: April 2019

A comparative study of N‐hydroxy compounds – violuric acid, 1‐hydroxybenzotriazole and N‐hydroxyphthalimide as the redox mediators during laccase‐catalyzed Indigo Carmine decolorization has been carried out. It is shown that the enzymatic oxidation of N‐hydroxy‐mediators to radicals >N‐O•, which act as a real oxidizing agent for indigo carmine, is a rate‐limiting stage. The effectiveness of N‐hydroxy compounds as the mediators in the Indigo Carmine decolorization in the presence of laccase Trametes versicolor increases in the following order: N‐hydroxyphthalimide < 1‐hydroxybenzotriazole < violuric acid. The main reason for the low activity of N‐hydroxyphthalimide is the low rate of generation of phthalimide‐N‐oxyl radicals in the process of oxidation by laccase of N‐hydroxyphthalimide, which is confirmed by inhibition of the studied process by ascorbic acid. The initiation rate corresponds to the total process rate and is equal to 4.20×10−8, 2.82×10−8, 2.90×10−9 M s−1 with the participation of violuric acid, 1‐hydroxybenzotriazole and N‐hydroxyphthalimide, respectively.
Probing the Mechanism of CAL‐B‐Catalyzed aza‐Michael Addition of Aniline Compounds with Acrylates Using Mutation and Molecular Docking Simulations
Authors: Gu Bo , E Hu Zu− , Yang Zeng‐Jie , Li Jun , Zhou Zi‐Wen , Wang Na , Yu Xiao‐Qi
Published: April 2019

CAL−B (Lipase B from Candida antarctica) catalyzed aza‐Michael addition of a set of aniline compounds with acrylates under mild conditions was described. A systematic study allowed to determine the appropriate solvent, enzyme loading, reaction temperature and time. In order to speculate and verify its mechanism, the wild‐type and three mutants (S105 A, H224 A and I189 A) of CAL−B were expressed. Some control experiments demonstrated the active site was responsible for the enzymatic process, in which Ser105 and His224 played a crucial role. Besides, the mutation of Ile189 also affected its activity a lot. Based on these results, a docking experiment was performed to speculate the mechanism: the oxyanion hole (Thr40 and Gln106) of the active site activated the acrylates and stabilized the transition states. The Ile189 residues, as an important part of active cavity, could form a strong hydrophobic interaction with substrates. And the Ser105 and His224 residues were responsible for proton transfer during the catalytic process. This would help to understand the promiscuity of CAL−B, and provide ideas to design novel enzyme to improve the efficiency of its promiscuity.
A Stable Amine‐Functionalized Microporous Metal–Organic Framework for Thermodynamically and Kinetically Selective Gas Separations
Authors: Tian Yuanyuan , Mu Bin , Li Bo , Li Xing , Xu Wei , Lin Yichao
Published: April 2019

An amine‐functionalized microporous metal‐organic framework (MOF)capable of thermodynamically capturing CO2 from flue gas/natural gas and kinetically separating n‐butane from iso‐butane is reported. The compound, Co2(abim)(im)3 (abim=2‐aminobenzimidazole, im=imidazole) is both thermally and chemically robust. According to our computational modeling, it has a sharp pore size distribution with a pore diameter of ∼4.9 Å. Two functionalities are proposed for this new compound: the basic amine groups provide higher affinity to acidic CO2 molecules than N2 and CH4 based on a thermodynamic mechanism which is demonstrated by the single component measurements and binary gas mixture breakthrough experiments; the pore aperture is optimal for the kinetic separation of n‐butane and iso‐butane which have kinetic diameters of 4.3 and 5.0 Å, respectively, which is confirmed from the pressure decay measurements and the breakthrough experiment. The new MOF is promising to simultaneously confront the challenges in both CO2 capture and the separation of n‐butane from iso‐butane in industrial practice.
Narrow‐Band Red‐Emitting Phosphor K2SiF6:Mn4+: HF‐Free Synthesis, Surface Modification, and Application for Warm White LEDs
Authors: Yang Lei , Wang Song , Wang Yige , Wang Jing
Published: April 2019

Narrow‐band red‐emitting fluoride phosphors with Mn4+‐doped are used as WLED backlight display source with its unique advantages. Its synthesis involving HF and its humidity‐sensitive feature hinder the application in white LED. Here, we synthesized the fluoride phosphors K2SiF6:Mn4+ in a HF‐free environment and improved the chemical stability. Soaked in water for 6 h, the emission intensity of modified phosphor was measured to maintain 86% of the original state compared with that of K2SiF6:Mn4+ which was kept at 72%. The as‐synthesized phosphor has an excellent color stability and thermal quenching behavior within the temperature range of 298–498 K. The white light‐emitting devices fabricated with encapsulated KSFM phosphor demonstrated the correlated color temperature (CCT) of 3334 K, color render index (CRI) of 88.91, chromaticity coordinates of (0.4176, 0.402). These considerable capabilities exhibit that this phosphor qualifies excellent performance for application in warm white LED.