bluuebunny/crossref_metadata_2025 huggingface dataset:
Polycyclic Aromatic Hydrocarbons in Soil Organic Horizons Depending on the Soil Burn Severity and Type of Ecosystem
Authors: Rey‐Salgueiro Ledicia , Martínez‐Carballo Elena , Merino Agustín , Vega José A. , Fonturbel M. Teresa , Simal‐Gandara Jesus
Published: August 2017

Because forest fires are a source of polycyclic aromatic hydrocarbons (PAHs), the influence of burnt conditions is of paramount importance and has not been thoroughly studied yet. In this study, two types of forest stands (Pinus nigra and Pinus pinaster) and two shrubland systems (Erica arborea and Ulex europaeus), differing in litter properties (composition and flammability), were considered. Changes in PAH levels were analysed in unburnt and charred litter, and they were related to different levels of soil burn severity and the organic matter composition of the charred litter, including charcoal and/or ashes. For monitoring PAH levels, an analytical method to determine them in unburnt and burnt woodland samples by pressure liquid extraction using a solid phase extraction cleanup was optimized. The highest levels of PAHs were found in the charred litter of P. pinaster (especially at soil burn severity = 200–400 °C), followed by U. europaeus, which presented similar concentration than Erica arborea and, finally, P. nigra. An association between the low molecular weight PAHs and 50% burn‐off temperature differential scanning calorimetry supports the idea of fire smoke as the main source of low molecular weight PAHs in charred biomass generated at temperatures of 200–400 °C. Instead, the fraction of high molecular weight PAHs is related to hydrogen‐to‐carbon and oxygen‐to‐carbon ash‐free dry weight, with charring depending on their organic matter content in the burnt material. PAH mobility will depend on the solubility of the organic matter, which is higher at higher pHs. The higher risk is the transport downstream to rivers or wet systems. Copyright © 2017 John Wiley & Sons, Ltd.
Open access publications in sciences and social sciences: A comparative analysis
Authors: Liu Weishu , Li Yanchao
Published: August 2017

In this paper, we conduct a comparative analysis to examine the characteristics and evolutionary trends of open access (OA) publications in natural and social sciences. We use data recorded by Science Citation Index Expanded, Social Sciences Citation Index, and Journal Citation Reports during 2001–2015 as the main source. We then comparatively analyse the characteristics of natural and social sciences in terms of historical evolution, main contributors, and distribution of OA journals and publications across different languages, disciplines, and impact factor quartiles. Our results suggest that both natural and social sciences experienced dramatic growth of OA journals since 2009, but the share of social science OA journals within journal impact factor quartile 1 is much lower than that of natural sciences. While natural and social sciences share some similarities in OA publishing activities, such as main countries of contribution, they differ greatly in dimensions such as OA ratio across specific disciplines, countries, and publishing languages. We acknowledge that OA publishing offers a level playing field for traditionally disadvantaged languages, countries, and scientific disciplines, but meanwhile, the advancement of high‐quality OA publishing needs more targeted and sophisticated approaches to tackle differences in natural and social sciences.
Numerical simulation and re‐design optimization of impressed current cathodic protection for an offshore platform with biofouling in seawater
Authors: Wang W. , Li W.‐H. , Song L.‐Y. , Fan W.‐J. , Liu X.‐J. , Zheng H.‐B.
Published: August 2017

A finite element model (FEM) of the offshore platform with biofouling is developed here to predict the effectiveness of the ICCP under seawater. Remotely operated vehicle (ROV) test verified that the offshore platform was fully covered by a coating‐like biofouling to protect the structures from corrosion. FE‐SEM and EDS tests demonstrated that the biofouling deposits on the offshore platform mainly contained magnesium oxides, biofouling deposits, and corrosion products doped with calcium oxides. The polarization relationships of platform steel with biofouling coverage were used as boundary conditions for the numerical simulation. Furthermore, the factors including output current, anode location, seawater conductivity, and biofouling coverage rate, which influenced the protective effectiveness, were comparatively evaluated by FEM. Then, a re‐design two‐anode ICCP system was employed to keep offshore platform in protective condition. A ROV monitored the potential distributions of the legs and demonstrated that numerical simulation results of ICCP had a good agreement with measured data.
Computational fluid dynamics investigation for austenitic AISI 904L stainless steel corrosion in a biodiesel stream piping
Authors: Ferreira D. J. O. , Torres C. E. A. S. , Lins V. F. C. , Park S. W.
Published: August 2017

A Brazilian biodiesel plant uses the transesterification of soybean oils with the methanol and sodium methoxide catalyst excess to convert these oils into alkyl esters and glycerin. Hydrochloric acid solution is injected in the piping to neutralize free NaOH and reduce saponification of oils. After the hydrochloric acid solution, several failures of pipelines of AISI 316L and 904L steels were registered. The objective of this work is to study the austenitic stainless steel corrosion observed in the downstream piping the hydrochloric acid injection, applying computational fluid dynamics and to evaluate pH and chloride profiles using different geometries for the acid solution injection in order to avoid or mitigate the corrosive attack. The obtained results showed a good agreement with in situ observations of the pipe degradation. All the studied geometries presented evidence of a weak mixture between the polar and non‐polar species, even under turbulent flow. The elbow geometry is more effective to reduce the local corrosive attack compared to two other simulated geometries.
Filling the dead‐time gap in zero echo time MRI: Principles compared
Authors: Froidevaux Romain , Weiger Markus , Brunner David O. , Dietrich Benjamin E. , Wilm Bertram J. , Pruessmann Klaas P.
Published: August 2017

Purpose

MRI of tissues with short coherence lifetimes T2 or
can be performed efficiently using zero echo time (ZTE) techniques such as algebraic ZTE, pointwise encoding time reduction with radial acquisition (PETRA), and water‐ and fat‐suppressed proton projection MRI (WASPI). They share the principal challenge of recovering data in central k‐space missed due to an initial radiofrequency dead time. The purpose of this study was to compare the three techniques directly, with a particular focus on their behavior in the presence of ultra–short‐lived spins.

Methods

The most direct comparison was enabled by aligning acquisition and reconstruction strategies of the three techniques. Image quality and short‐
performance were investigated using point spread functions, 3D simulations, and imaging of phantom and bone samples with short (<1 ms) and ultra‐short (<100 μs)
.

Results

Algebraic ZTE offers favorable properties but is limited to k‐space gaps up to approximately three Nyquist dwells. At larger gaps, PETRA enables robust imaging with little compromise in image quality, whereas WASPI may be prone to artifacts from ultra‐short
species.

Conclusion

For small k‐space gaps (<4 dwells) and
much larger than the dead time, all techniques enable artifact‐free short‐
MRI. However, if these requirements are not fulfilled careful consideration is needed and PETRA will generally achieve better image quality. Magn Reson Med 79:2036–2045, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Urate levels predict survival in amyotrophic lateral sclerosis: Analysis of the expanded Pooled Resource Open‐Access ALS clinical trials database
Authors: Paganoni Sabrina , Nicholson Katharine , Chan James , Shui Amy , Schoenfeld David , Sherman Alexander , Berry James , Cudkowicz Merit , Atassi Nazem ,   for the Pooled Resource Open‐Access ALS Clinical Trials Consortium
Published: August 2017

Introduction: Urate has been identified as a predictor of amyotrophic lateral sclerosis (ALS) survival in some but not all studies. Here we leverage the recent expansion of the Pooled Resource Open‐Access ALS Clinical Trials (PRO‐ACT) database to study the association between urate levels and ALS survival. Methods: Pooled data of 1,736 ALS participants from the PRO‐ACT database were analyzed. Cox proportional hazards regression models were used to evaluate associations between urate levels at trial entry and survival. Results: After adjustment for potential confounders (i.e., creatinine and body mass index), there was an 11% reduction in risk of reaching a survival endpoint during the study with each 1‐mg/dL increase in uric acid levels (adjusted hazard ratio 0.89, 95% confidence interval 0.82–0.97, P < 0.01). Discussion: Our pooled analysis provides further support for urate as a prognostic factor for survival in ALS and confirms the utility of the PRO‐ACT database as a powerful resource for ALS epidemiological research. Muscle Nerve 57: 430–434, 2018
Decoding the microstructural correlate of diffusion MRI
Authors: Caspers Svenja , Axer Markus
Published: August 2017

Diffusion imaging has evolved considerably over the past decade. While it provides valuable information about the structural connectivity at the macro‐ and mesoscopic scale, bridging the gap to the microstructure at the level of single nerve fibers poses an enormous challenge. This is particularly true for the human brain with its large size, its large white‐matter volume and availability of histological techniques for studying human whole‐brain sections and subsequent 3D reconstruction. Classic post‐mortem techniques for studying the fiber architecture of the brain, such as myeloarchitectonic staining or dye tracing, are complemented by novel histological approaches, such as 3D polarized light imaging or optical coherence tomography, enabling unique insight into the fiber architecture from large fiber bundles within deep white matter to single nerve fibers in the cortex. The present review discusses the benefits and challenges of these latest developments in comparison with the classic techniques, with particular focus on the mutual exchange between in vivo and post‐mortem diffusion imaging and post‐mortem microstructural approaches for understanding the wiring of the brain across different scales.
Orotracheal manganese‐enhanced MRI (MEMRI): An effective approach for lung tumor detection
Authors: Bianchi Andrea , Gobbo Oliviero L. , Dufort Sandrine , Sancey Lucie , Lux François , Tillement Olivier , Coll Jean‐Luc , Crémillieux Yannick
Published: August 2017

Lung cancer is a primary cause of cancer deaths worldwide. Timely detection of this pathology is necessary to delay or interrupt lung cancer progression, ultimately resulting in a possible better prognosis for the patient. In this context, magnetic resonance imaging (MRI) is especially promising. Ultra‐short echo time (UTE) MRI sequences, in combination with gadolinium‐based contrast agents, have indeed shown to be especially adapted to the detection of lung neoplastic lesions at submillimeter precision. Manganese‐enhanced MRI (MEMRI) increasingly appears to be a possible effective alternative to gadolinium‐enhanced MRI. In this work, we investigated whether low‐dose MEMRI can effectively target non‐small‐cell lung cancer in rodents, whilst minimizing the potential toxic effect of manganese. Both systemic and orotracheal administration modalities allowed the identification of tumors of submillimeter size, as confirmed by bioluminescence imaging and histology. Equivalent tumor signal enhancements and contrast‐to‐noise ratios were observed with orotracheal administration using 20 times lower doses compared with the more conventional systemic route. This finding is of crucial importance as it supports the observation that higher performances of contrast agents can be obtained using an orotracheal administration route when targeting lung diseases. As a consequence, lower concentrations of contrast media can be employed, reducing the dose and potential safety issues. The non‐detectable accumulation of ionic manganese in the brain and liver following orotracheal administration observed in vivo is extremely encouraging with regard to the safety of the orotracheal protocol with low‐dose Mn2+ administration. To our knowledge, this is the first time that a study has clearly allowed the high‐precision detection of lung tumor and its contours via the synergic employment of a strongly T1‐weighted MRI UTE sequence and ionic manganese, an inexpensive contrast agent. Overall, these results support the growing interest in drug and contrast agent delivery via the airways to target and diagnose several diseases of the lungs.
The Epigenomic Analysis of Human Obesity
Authors: Bell Christopher G.
Published: August 2017

Objective

Analysis of the epigenome—the chemical modifications and packaging of the genome that can influence or indicate its activity—enables molecular insight into cell type‐specific machinery. It can, therefore, reveal the pathophysiological mechanisms at work in disease. Detected changes can also represent physiological responses to adverse environmental exposures, thus enabling the epigenetic mark of DNA methylation to act as an epidemiological biomarker, even in surrogate tissue. This makes epigenomic analysis an attractive prospect to further understand the pathobiology and epidemiological aspects of obesity. Furthermore, integrating epigenomic data with known obesity‐associated common genetic variation can aid in deciphering their molecular mechanisms.

Methods and Conclusions

This review primarily examines epidemiological or population‐based studies of epigenetic modifications in relation to adiposity traits, as opposed to animal or cell models. It discusses recent work exploring the epigenome with respect to human obesity, which to date has predominately consisted of array‐based studies of DNA methylation in peripheral blood. It is of note that highly replicated BMI DNA methylation associations are not causal, but strongly driven by coassociations for more precisely measured intertwined outcomes and factors, such as hyperlipidemia, hyperglycemia, and inflammation. Finally, the potential for the future exploration of the epigenome in obesity and related disorders is considered.
Prior Endurance Training Enhances Beta‐Adrenergic Signaling in Epidydimal Adipose from Mice Fed a High‐Fat Diet
Authors: Snook Laelie A. , Trottier Sarah K. , Worndl Elizabeth A. , Bombardier Eric , Tupling A. Russell , MacPherson Rebecca E.K.
Published: August 2017

Objective

Adipose tissue beta‐adrenergic signaling is attenuated in obesity and insulin resistance. It has been previously demonstrated that prior exercise training protects against short‐term, high‐fat diet (HFD)‐induced weight gain and glucose intolerance. This study aimed to determine whether prior exercise training results in altered beta‐adrenergic and lipolytic signaling in adipose tissue when challenged with a HFD.

Methods

Male C57BL/6J mice underwent 4 weeks of treadmill training (1 h/d, 5 d/wk). Twenty‐four hours after the final bout of exercise, mice were fed a HFD (60% kcal lard) for 4 days.

Results

Serum fatty acids, beta‐adrenergic signaling (phosphorylated ERK, hormone‐sensitive lipase, and p38), and perilipin 1 content were greater in epididymal white adipose tissue (eWAT) from previously trained mice. These changes were not evident in eWAT from trained mice prior to the HFD and were not secondary to alterations in insulin responsiveness or catecholamine concentrations. CL 316,243‐mediated increases in hormone‐sensitive lipase phosphorylation and fatty acid accumulation in the media were greater in adipose tissue explants from previously trained mice fed a HFD.

Conclusions

These findings suggest that previous training increases adipose tissue beta‐adrenergic responsiveness to a short‐term HFD. This may help to explain the protective effect of prior exercise training against the deleterious effects of a HFD.
Rheological behavior of wood flour filled poly(lactic acid): Temperature and concentration dependence
Authors: Mazzanti Valentina , Mollica Francesco
Published: August 2017

The aim of this study is to evaluate the influence of temperature and filler concentration on the rheology of wood fiber filled poly(lactic acid). After measuring complex viscosity for various filler amounts (0–30 wt%) and temperatures (155–175°C), it has been found that a single master‐curve can be obtained by shifting the curves diagonally onto the one of the neat matrix at a reference temperature. Considering only the complex viscosity of the neat matrix at all temperatures, the resulting pure thermal shifts can be fitted by a Williams–Landel–Ferry equation. The same procedure can be employed considering the complex viscosity of all composites at the reference temperature. Here, the concentration shifts are approximated by a Krieger–Dougherty equation. We propose that these two pure shift factors can be combined together, independently of each other, for predicting the complex viscosity of the composites at any temperature and filler amount. The main assumption of this procedure is that temperature and filler concentration effects must be disjoint. For validation, the predicted shift factors have been compared with the experimental ones related to composites tested at temperatures other than reference. The agreement is satisfactory, thus the hypotheses at the basis of this methodology are justified. POLYM. COMPOS., 40:E169–E176, 2019. © 2017 Society of Plastics Engineers
Recent developments in investigation on buckling and post buckling responses of laminated composite shells
Authors: Praveen A Paul , Rajamohan Vasudevan , Mathew Arun Tom
Published: August 2017

This paper presents the state of art in the field of composite shells with focus on stress analysis, buckling and post‐buckling responses under mechanical and thermal loading. Many researchers have investigated the buckling and post‐buckling responses of cylindrical, conical, spherical, thin and thick composite shells with single and doubly curved shells under mechanical and thermal loading. From the literature it can be inferred that hydrostatic pressure, axial compression and thermal environment influence the buckling behavior of laminated composite shell significantly. An effort is taken to review the research on buckling and post‐buckling responses of cylindrical and conical shaped shells under mechanical and thermal loading and their behavior during buckling and post‐buckling conditions. POLYM. COMPOS., 39:4231–4242, 2018. © 2017 Society of Plastics Engineers
Impact of the black triangle label on prescribing of new drugs in the United Kingdom: lessons for the United States at a time of deregulation
Authors: Horton Daniel B. , Gerhard Tobias , Davidow Amy , Strom Brian L.
Published: August 2017

Purpose

Newly approved novel drugs in Europe receive a black triangle label to promote pharmacovigilance. With growing momentum for earlier drug approvals and reliance on real‐world evidence, we studied if the black triangle label promotes more judicious prescribing.

Methods

We examined whether general practitioners prescribed escitalopram, tadalafil, and vardenafil with a black triangle more cautiously than the same or similar drugs without a black triangle in The Health Improvement Network (UK). We performed interrupted time‐series analyses to estimate changes in new prescription rates and nested case‐control studies to compare characteristics of new users before and after removal of a black triangle.

Results

Prescribing rates to the 33 441 new users of these new drugs were highest shortly after initial approval and declined subsequently; there were no increases in rates of new prescriptions after a black triangle's removal (new prescriptions/million/month postlabel: escitalopram −1.5 [95% CI, −1.9 to −1.2]; tadalafil and vardenafil: −0.1 [95% CI, −0.6 to 0.4]). Among drugs in the same class, loss of a patent had more impact on prescribing rates than loss of a black triangle. People who began taking black triangle drugs were less likely to be young or to have multiple comorbidities or recent hospitalization compared with those starting the same drugs after the label's removal. However, these differences generally reflected secular trends seen also in similar, unlabeled medicines.

Conclusions

Accelerated drug approvals could cause more uncertainty about drug effectiveness and safety, but specific labeling of newly approved medicines is unlikely to promote more judicious prescribing.
Cyclic polylactides via simultaneous ring‐opening polymerization and polycondensation catalyzed by dibutyltin mercaptides
Authors: Kricheldorf Hans R. , Weidner Steffen M. , Scheliga Felix
Published: August 2017

l‐Lactide is polymerized in bulk at 160 °C either with dibutyltin bis(benzylmercaptide) (SnSBzl), dibutyltin bis(benzothiazole 2‐mercaptide) (SnMBT), or with dibutyltin bis(pentafluorothiophenolate) (SnSPF) as catalysts. SnSBzl yields linear polylactides having benzylthio‐ester end groups in addition to cyclic polylactides, whereas SnMBT and SnSPF mainly or exclusively yield cyclic polylactides. This finding, together with model reactions, indicates that the SnS catalysts promote a combined ring‐opening polymerization and polycondensation process including end‐to‐end cyclization. SnMBT caused slight racemization (3%–5%), when used at 160 °C. With SnSPF optically pure cyclic poly(l‐lactide)s with high‐molecular weights can be prepared at 160 °C. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3767–3775
A cross‐cultural convergent parallel mixed methods study of what makes a cancer‐related symptom or functional health problem clinically important
Authors: Giesinger Johannes M. , Aaronson Neil K. , Arraras Juan I. , Efficace Fabio , Groenvold Mogens , Kieffer Jacobien M. , Loth Fanny L. , Petersen Morten Aa. , Ramage John , Tomaszewski Krzysztof A. , Young Teresa , Holzner Bernhard ,   on behalf of the EORTC Quality of Life Group
Published: August 2017

Objective

In this study, we investigated what makes a symptom or functional impairment clinically important, that is, relevant for a patient to discuss with a health care professional (HCP). This is the first part of a European Organisation for Research and Treatment of Cancer (EORTC) Quality of Life Group project focusing on the development of thresholds for clinical importance for the EORTC QLQ‐C30 questionnaire and its corresponding computer‐adaptive version.

Methods

We conducted interviews with cancer patients and HCPs in 6 European countries. Participants were asked to name aspects of a symptom or problem that make it clinically important and to provide importance ratings for a predefined set of aspects (eg, need for help and limitations of daily functioning).

Results

We conducted interviews with 83 cancer patients (mean age, 60.3 y; 50.6% men) and 67 HCPs. Participants related clinical importance to limitations of everyday life (patients, 65.1%; HCPs, 77.6%), the emotional impact of a symptom/problem (patients, 53.0%; HCPs, 64.2%), and duration/frequency (patients, 51.8%; HCPs, 49.3%). In the patient sample, importance ratings were highest for worries by partner or family, limitations in everyday life, and need for help from the medical staff. Health care professionals rated limitations in everyday life and need for help from the medical staff to be most important.

Conclusions

Limitations in everyday life, need for (medical) help, and emotional impact on the patient or family/partner were found to be relevant aspects of clinical importance. Based on these findings, we will define anchor items for the development of thresholds for clinical importance for the EORTC measures in a Europe‐wide field study.
Engineered, highly reactive substrates of microbial transglutaminase enable protein labeling within various secondary structure elements
Authors: Rachel Natalie M. , Quaglia Daniela , Lévesque Éric , Charette André B. , Pelletier Joelle N.
Published: August 2017

Microbial transglutaminase (MTG) is a practical tool to enzymatically form isopeptide bonds between peptide or protein substrates. This natural approach to crosslinking the side‐chains of reactive glutamine and lysine residues is solidly rooted in food and textile processing. More recently, MTG's tolerance for various primary amines in lieu of lysine have revealed its potential for site‐specific protein labeling with aminated compounds, including fluorophores. Importantly, MTG can label glutamines at accessible positions in the body of a target protein, setting it apart from most labeling enzymes that react exclusively at protein termini. To expand its applicability as a labeling tool, we engineered the B1 domain of Protein G (GB1) to probe the selectivity and enhance the reactivity of MTG toward its glutamine substrate. We built a GB1 library where each variant contained a single glutamine at positions covering all secondary structure elements. The most reactive and selective variants displayed a >100‐fold increase in incorporation of a recently developed aminated benzo[a]imidazo[2,1,5‐cd]indolizine‐type fluorophore, relative to native GB1. None of the variants were destabilized. Our results demonstrate that MTG can react readily with glutamines in α‐helical, β‐sheet, and unstructured loop elements and does not favor one type of secondary structure. Introducing point mutations within MTG's active site further increased reactivity toward the most reactive substrate variant, I6Q‐GB1, enhancing MTG's capacity to fluorescently label an engineered, highly reactive glutamine substrate. This work demonstrates that MTG‐reactive glutamines can be readily introduced into a protein domain for fluorescent labeling.
Extracellular vesicles for personalized therapy decision support in advanced metastatic cancers and its potential impact for prostate cancer
Authors: Soekmadji Carolina , Corcoran Niall M. , Oleinikova Irina , Jovanovic Lidija ,   The Australian Prostate Cancer Collaboration BioResource, Ramm Grant A. , Nelson Colleen C. , Jenster Guido , Russell Pamela J.
Published: August 2017

The use of circulating tumor cells (CTCs) and circulating extracellular vesicles (EVs), such as exosomes, as liquid biopsy‐derived biomarkers for cancers have been investigated. CTC enumeration using the CellSearch based platform provides an accurate insight on overall survival where higher CTC counts indicate poor prognosis for patients with advanced metastatic cancer. EVs provide information based on their lipid, protein, and nucleic acid content and can be isolated from biofluids and analyzed from a relatively small volume, providing a routine and non‐invasive modality to monitor disease progression. Our pilot experiment by assessing the level of two subpopulations of small EVs, the CD9 positive and CD63 positive EVs, showed that the CD9 positive EV level is higher in plasma from patients with advanced metastatic prostate cancer with detectable CTCs. These data show the potential utility of a particular EV subpopulation to serve as biomarkers for advanced metastatic prostate cancer. EVs can potentially be utilized as biomarkers to provide accurate genotypic and phenotypic information for advanced prostate cancer, where new strategies to design a more personalized therapy is currently the focus of considerable investigation.
Administering steroids with HIV treatment‐boosting agents
Authors: Singh Gurmit Kaur Jagjit , Jones Rachael , Shotliff Kevin
Published: August 2017

Co‐administration of a steroid with an HIV treatment‐boosting agent such as ritonavir or cobicistat increases the risk of iatrogenic Cushing syndrome and subsequent secondary adrenal suppression. This article discusses the strategies to help prevent this and describes how to identify and manage such interactions.
Impact of an Interfacial Layer on the Electrical Performance of p‐Channel Tin Monoxide Field‐Effect Transistors
Authors: Han Sang Jin , Kim Sungmin , Jeong Jae Kyeong , Kim Hyeong Joon
Published: August 2017

This study examined the insertion effect of an interfacial, 7‐nm‐thick SiNx and SiOF layer on the performance of p‐channel tin monoxide (SnO) field‐effect transistors (FETs). The control SnO FETs, which had a thermal SiO2 gate dielectric, exhibited a mobility, gate swing, threshold voltage (VTH) and ION/OFF ratio of 2.8 cm2 V−1s−1, 6.9 V decade−1, 19.0 V, and 1.8 × 103, respectively. The SiNx‐inserted SnO FETs showed a loss in drain current modulation due to the creation of interfacial trap states. In contrast, the gate swing and VTH values were improved substantially to 5.4 V decade−1 and 2.0 V for the SiOF‐inserted SnO FETs, respectively, whereas the comparable mobility and ION/OFF ratio were preserved. The rationale of the improvement is discussed with respect to Fermi‐energy pinning based on the valence band spectra.
An adaptive EWMA scheme‐based CUSUM accumulation error for efficient monitoring of process location
Authors: Zaman Babar , Lee Muhammad Hisyam , Riaz Muhammad , Abujiya Mu'azu Ramat
Published: August 2017

The examination of product characteristics using a statistical tool is an important step in a manufacturing environment to ensure product quality. Several methods are employed for maintaining product quality assurance. Quality control charts, which utilize statistical methods, are normally used to detect special causes. Shewhart control charts are popular; their only limitation is that they are effective in handling only large shifts. For handling small shifts, the cumulative sum (CUSUM) and the exponential weighted moving average (EWMA) are more practical. For handling both small and large shifts, adaptive control charts are used. In this study, we proposed a new adaptive EWMA scheme. This scheme is based on CUSUM accumulation error for detection of wide range of shifts in the process location. The CUSUM features in the proposed scheme help with identification of prior shifts. The proposed scheme uses Huber and Tukey bisquare functions for an efficient shift detection. We have used average run length (ARL) as performance indicator for comparison, and our proposed scheme outperformed some of the existing schemes. An example that uses real‐life data is also provided to demonstrate the implementation of the proposed scheme.
Theoretical assessing on the coordination mode and bonding in heteronuclear group‐13 dimetallocene
Authors: Lu Feifei , Yang Lihua , Dang Yaru , Li Qingzhong , Li Xiaoyan
Published: August 2017

In this article, the coordination mode, the nature of metal–ligand interaction and dimetallic bonding in heteronuclear group‐13 dimetallocene (CpMM′CpI2; Cp = C5H5, M/M′=B, Al, Ga, In, and Tl) have been investigated within the framework of the atoms in molecules theory, electron localization function, and energy decomposition analysis. The calculated results show that the symmetries of the title compounds, the coordination modes between the metal and ligand, the strength and nature of M‐ligand interaction and MM′ bond are well correlated with the periodicity changing of group‐13 metal atom going from the lighter to the heavier (B, Al, Ga, In, and Tl). The heavier group 13 metal atom is corresponding to the higher symmetry, stronger metal–ligand interaction, and weaker dimetallic bond. The covalent characters of both metal–ligand interaction and dimetallic bond are decreasing in the sequence of M′=Al, Ga, In, and Tl, for the same M atom.
Direct analysis of volatile organic compounds in foods by headspace extraction atmospheric pressure chemical ionisation mass spectrometry
Authors: Perez‐Hurtado P. , Palmer E. , Owen T. , Aldcroft C. , Allen M.H. , Jones J. , Creaser C.S. , Lindley M.R. , Turner M.A. , Reynolds J.C.
Published: August 2017

Rationale

The rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently, the technique of choice for VOC analysis is gas chromatography/mass spectrometry (GC/MS). However, the long chromatographic run times and elaborate sample preparation associated with this technique have led a movement towards direct analysis techniques, such as selected ion flow tube mass spectrometry (SIFT‐MS), proton transfer reaction mass spectrometry (PTR‐MS) and electronic noses. The work presented here describes the design and construction of a Venturi jet‐pump‐based modification for a compact mass spectrometer which enables the direct introduction of volatiles for qualitative and quantitative analysis.

Methods

Volatile organic compounds were extracted from the headspace of heated vials into the atmospheric pressure chemical ionization source of a quadrupole mass spectrometer using a Venturi pump. Samples were analysed directly with no prior sample preparation. Principal component analysis (PCA) was used to differentiate between different classes of samples.

Results

The interface is shown to be able to routinely detect problem analytes such as fatty acids and biogenic amines without the requirement of a derivatisation step, and is shown to be able to discriminate between four different varieties of cheese with good intra and inter‐day reproducibility using an unsupervised PCA model. Quantitative analysis is demonstrated using indole standards with limits of detection and quantification of 0.395 μg/mL and 1.316 μg/mL, respectively.

Conclusions

The described methodology can routinely detect highly reactive analytes such as volatile fatty acids and diamines without the need for a derivatisation step or lengthy chromatographic separations. The capability of the system was demonstrated by discriminating between different varieties of cheese and monitoring the spoilage of meats.
Event‐triggered adaptive backstepping control for parametric strict‐feedback nonlinear systems
Authors: Li Yuan‐Xin , Yang Guang‐Hong
Published: August 2017

This paper proposes a novel adaptive backstepping control method for parametric strict‐feedback nonlinear systems with event‐sampled state and input vectors via impulsive dynamical systems tools. In the design procedure, both the parameter estimator and the controller are aperiodically updated only at the event‐sampled instants. An adaptive event sampling condition is designed to determine the event sampling instants. A positive lower bound on the minimal intersample time is provided to avoid Zeno behavior. The closed‐loop stability of the adaptive event‐triggered control system is rigorously proved via Lyapunov analysis for both the continuous and jump dynamics. Compared with the periodic updates in the traditional adaptive backstepping design, the proposed method can reduce the computation and the transmission cost. The effectiveness of the proposed method is illustrated using 2 simulation examples.
Output consensus for heterogeneous multiagent systems with Markovian switching network topologies
Authors: Meng Min , Liu Lu , Feng Gang
Published: August 2017

This paper investigates the output consensus problem of heterogeneous continuous‐time multiagent systems under randomly switching communication topologies. The switching mechanism is governed by a time‐homogeneous Markov process, whose states correspond to all possible communication topologies among agents. A novel dynamic consensus controller is proposed. The controller gains are designed based on the information of the expectation graph and the solutions to regulator equations. Furthermore, a necessary and sufficient condition is presented for output consensus of the controlled multiagent system in mean square sense. Finally, a simulation example is provided to corroborate the effectiveness of the proposed controller.
Simultaneous confidence regions for multivariate bioequivalence
Authors: Pallmann Philip , Jaki Thomas
Published: August 2017

Demonstrating bioequivalence of several pharmacokinetic (PK) parameters, such asAUCandCmax, that are calculated from the same biological sample measurements is in fact a multivariate problem, even though this is neglected by most practitioners and regulatory bodies, who typically settle for separate univariate analyses. We believe, however, that a truly multivariate evaluation of all PK measures simultaneously is clearly more adequate. In this paper, we review methods to construct joint confidence regions around multivariate normal means and investigate their usefulness in simultaneous bioequivalence problems via simulation. Some of them work well for idealised scenarios but break down when faced with real‐data challenges such as unknown variance and correlation among the PK parameters. We study the shapes of the confidence regions resulting from different methods, discuss how marginal simultaneous confidence intervals for the individual PK measures can be derived, and illustrate the application to data from a trial on ticlopidine hydrochloride. An R package is available.
Size‐Selective Silver‐Induced Evolution of Mn3O4−Ag Nanocomposites for Effective Ethanol Sensing
Authors: Rahaman Hasimur , Kundu Susmita , Ghosh Sujit Kumar
Published: August 2017

Trimanganese tetraoxide (Mn3O4)−silver (Ag) nanocomposites have been synthesized by seed‐mediated growth of manganese oxide by alkaline hydrolysis of manganese precursor on preformed silver nanoparticles at water/n‐heptane interface. The morphology of the nanocomposites has been varied by individual addition of five size‐selective silver nanoparticles for the evolution of the manganese components. Varieties of spectroscopic and microscopic techniques have been used to characterize these materials. Now, the efficacy of these as‐synthesized nanocomposites has been demonstrated towards the sensing of various hazardous volatile organic compounds, exhibiting high sensitivity to ethanol compared to other components. Moreover, the structure‐function relationship of the Mn3O4−Ag nanocomposites upon variation of the size of silver particles towards the sensory activity of ethanol has been elucidated.
In Situ Growth of 3D Nano‐array Ni0.85Se/NF Structure Supercapattery Electrode with Excellent Cyclic Stability and Superior Energy Density
Authors: An Weidan , Gao Yanfang , Liu Jinrong
Published: August 2017

The growth of three‐dimensional(3D) nano‐array Ni0.85Se structure on Ni foam (Ni0.85Se/NF) in situ by hydrothermal treatment using Na2SeO3⋅5H2O as Se source is presented in this article. Moreover, when fabricated as binder‐free supercapattery electrode, the 3D nano‐array Ni0.85Se/NF structure demonstrates an excellent specific capacitance of 1344 and 686.50 F⋅g−1 at current densities of 0.5 and 5 A⋅g−1, which was calculated by 4 mg active mass of Ni0.85Se. Impressively, the areal capacitance of 5.38 and 2.75 F⋅cm−2 can be got at the current densities of 2 and 20 mA⋅cm−2. Furthermore, the supercapattery electrode exhibits a superior cyclic stability with 70.1 % capacity retention after 5000 cycles, which is notable for a selenide based supercapacitor. When assembled into Ni0.85Se//AC asymmetric supercapacitor, the operating voltage was expanded to 1.6 V, a good specific capacitance of 184.70 C⋅g−1 at 0.5 A⋅g−1 and remains 35.33 C⋅g−1 at 4 A⋅g−1 is achieved. The supercapattery electrode demonstrates an outstanding rate performance as a coin type asymmetric device, obtaining a great energy density of 38.48 Wh⋅kg−1 at the power density of 375 W⋅kg−1. The aforementioned results suggested that the 3D nano‐array Ni0.85Se structure may a potential electrode for next generation supercapacitors.
Ammonia‐Treated Ordered Mesoporous Carbons with Hierarchical Porosity and Nitrogen‐Doping for Lithium‐Sulfur Batteries
Authors: Liu Dan , Li Yabo , Zheng Dong , Wang Gongwei , Qu Deyu , Xie Zhi‐zhong , Li Chunlei , Lei Jiaheng , Qu Deyang
Published: August 2017

Developed porosity and high‐level heteroatom‐doping are necessary to acquire the advanced carbon materials as sulfur hosts for lithium‐sulfur batteries with high sulfur loading. We herein demonstrated that hierarchical ordered micro/mesoporous carbons with controllable porosity and nitrogen functionality could be prepared via two scalable steps which are based on aqueous self‐assembly and ammonia activation processes. The effects of porosity and nitrogen doping upon the electrochemical performances of the carbon/sulfur hybrids as the cathodes in lithium‐sulfur batteries were investigated. It demonstrated that the carbon materials with balanced porosity and nitrogen‐doping level could effectively increase the conductivity of sulfur and alleviate the “shuttle effect” and exhibit high specific capacity, good rate performance, and superior cycling stability.
Fabrication of Nano‐CuO@ZnO for the Synthesis of Functionalized β‐Enaminone Derivatives from β‐Nitrostyrenes, Aliphatic/Aromatic Amines and 1,3‐Dicarbonyl/4‐Hydroxy Coumarin
Authors: Saha Arijit , Payra Soumen , Akhtar Sohel , Banerjee Subhash
Published: August 2017

Here, we have reported synthesis, characterization of CuO doped ZnO nanoparticles (CuO@ZnO NPs) and its applications for the synthesis of functionalized β‐enaminone derivatives via one‐pot three component reactions of β‐nitrostyrenes, aliphatic/aromatic amines or alcohols and 5,5‐dimethylcyclohexane‐1,3‐dione/4‐hydroxycoumarin. The present CuO@ZnO NPs‐catalyzed sustainable protocol has enabled access to variety of β‐enaminone derivatives in moderate to excellent yields (61‐96%) in comparatively short reaction time periods (2‐3 h). The catalyst was found to be very stable under the reaction conditions and easily recovered from reaction mixture by filtration and recycled for at least ten times without significant loss in its catalytic efficiency.
Oxidation Decomposition Mechanism of Fluoroethylene Carbonate‐Based Electrolytes for High‐Voltage Lithium Ion Batteries: A DFT Calculation and Experimental Study
Authors: Xia Lan , Tang Bencan , Yao Linbin , Wang Kai , Cheris Anastasia , Pan Yueyang , Lee Saixi , Xia Yonggao , Chen George Z. , Liu Zhaoping
Published: August 2017

The oxidative decomposition mechanism of fluoroethylene carbonate (FEC) used in high‐voltage batteries is investigated by using density functional theory (DFT). Radical cation FEC•+ is formed from FEC by transferring one electron to electrode and the most likely decomposition products are CO2 and 2‐fluoroacetaldehyde radical cation. Other possible products are CO, formaldehyde and formyl fluoride radical cations. These radical cations are surrounded by much FEC solvent and their radical center may attack the carbonyl carbon of FEC to form aldehyde and oligomers of alkyl carbonates, which is similar with the oxidative decomposition of EC. Then, our experimental result reveals that FEC‐based electrolyte has rather high anodic stability. It can form a robust SEI film on the positive electrode surface, which can inhibit unwanted electrolyte solvent and LiPF6 salts decomposition, alleviate Mn/Ni dissolution and therefore, improve the coulombic efficiency and the cycling stability of high voltage LiNi0.5Mn1.5O4 positive electrodes. This work displays that FEC‐based electrolyte systems have considerable potential replacement of the EC‐based electrolyte for the applications in 5 V Li‐ion batteries.
Modulation of Protolytic Equilibrium of Bichromophoric Coumarin‐30 Dye with Cucurbit[8]uril Encapsulation
Authors: Barooah Nilotpal , Khurana Raman , Mohanty Jyotirmayee , Bhasikuttan Achikanath C.
Published: August 2017

Host‐guest interaction of macrocyclic receptor, cucurbit[8]uril (CB8), with neutral bichromophoric coumarin 30 (C30) dye has been investigated using various spectroscopic tools. Absorption and fluorescence emission results along with 1H NMR data have demonstrated the existence of host‐guest complex of C30 dye with CB8 host in a 1:2 and 3:2 (CB8:C30) stoichiometries. Comparative studies with the photophysical aspects of the protonated C30 dye (at pH 3) confirmed that interaction of neutral C30 dye (at pH 7) with CB8 has led to the host assisted protonation of C30 in the CB8:C30 complex, registering an upward supramolecular pKa shift of about 3 units. The 3:2 stoichiometric complex exhibits strong excimer emission and is dictated by the structural features of C30. Due to this complexation not only we accomplish modulation in the photophysics of the dye, but also it enhances the aqueous solubility of C30, especially at pH 7. Taking advantage of CB8 assisted tunable pKa shift, currently we are pursuing the prospects of using photostable coumarin dyes for cellular imaging studies as well as their applicability as aqueous dye laser systems.
Extraction of Base from Eichhornia crassipes and Its Implication in Palladium‐Catalyzed Suzuki Cross‐Coupling Reaction
Authors: Sarmah Manashi , Dewan Anindita , Thakur Ashim J , Bora Utpal
Published: August 2017

The utilization of a sustainable and eco‐friendly alternative medium derived from water borne species Eichhornia crassipes (Common name: Water Hyacinth) for the Suzuki cross‐coupling reaction at room temperature was reported. The system provides an in situ basic condition via metal extraction from ash water extract of Eichhornia crassipes, which delivers a dual performance in the catalytic application. The distribution of metal contents in the ash was characterized by EDX (Energy‐dispersive X‐ray spectroscopy) analysis. The basicity of the medium may possibly be due to the formation of corresponding metal oxides or hydroxides in its water extract. The application of this ash water extract results in an effective cross‐coupling in palladium catalyzed Suzuki reaction without any external promoter or ligand. The central attraction of our reaction system is the fruitful utilization of highly abundant unwanted weeds instead of destruction of ecologically important plants or plant parts. The present system highlights an excellent green pathway that fits the global urge of sustainable development and will prevail wide application in variable synthetic studies.
Regioselective Transition‐Metal‐Free Synthesis of Diverse Benzothiazoles by Thermally Induced Cyclization of ortho‐Halobenzanilides
Authors: Jang Keun Sam , Shin Dong Seok , Song Ho Rim , Lee Byoung Se , Chi Dae Yoon
Published: August 2017

The highly regioselective and efficient synthesis of diverse substituted‐benzothiazoles, including heterocyclic units and amino groups, was achieved in moderate to high yields from ortho‐bromothiobenzanilides, ortho‐bromoarylthioureas, ortho‐bromobenzanilides, and ortho‐dibromobenzanilides, regardless of the electron density and substituted positions, via the prevalent carbon‐sulfur bond formation by thermally induced intramolecular cyclization reaction without using any metal sources or other additives. Polysubstituted‐benzothiazoles, particularly 2,4‐, 2,6‐disubstituted, and 2,4,6‐trisubstituted benzothiazoles, could be efficiently synthesized by a facile cascade reaction from appropriate ortho‐bromobenzanilides under general thiolation conditions. This benign reaction represents a straightforward and practical approach toward diverse substituted‐benzothiazoles. In addition, the remaining bromine substituent of the resulting products was further utilized as a functional handle for the additional diversification and exploited as a complementary solution for the adjustment of harsh reaction condition. This methodology not only allows for the elaboration of benzothiazole molecules, but also provides a new valuable synthetic tool for a range of pharmaceutical applications.