bluuebunny/crossref_metadata_2025 huggingface dataset:
Cucurbit[7]uril‐Dimethyllysine Recognition in a Model Protein
Authors: Guagnini Francesca , Antonik Paweł M. , Rennie Martin L. , O'Byrne Peter , Khan Amir R. , Pinalli Roberta , Dalcanale Enrico , Crowley Peter B.
Published: April 2018

Here, we provide the first structural characterization of host–guest complexation between cucurbit[7]uril (Q7) and dimethyllysine (KMe2) in a model protein. Binding was dominated by complete encapsulation of the dimethylammonium functional group. While selectivity for the most sterically accessible dimethyllysine was observed both in solution and in the solid state, three different modes of Q7‐KMe2 complexation were revealed by X‐ray crystallography. The crystal structures revealed also entrapped water molecules that solvated the ammonium group within the Q7 cavity. Remarkable Q7‐protein assemblies, including inter‐locked octahedral cages that comprise 24 protein trimers, occurred in the solid state. Cucurbituril clusters appear to be responsible for these assemblies, suggesting a strategy to generate controlled protein architectures.
From Open‐Shell Singlet Diradicaloid to Closed‐Shell Global Antiaromatic Macrocycles
Authors: Li Guangwu , Gopalakrishna Tullimilli Y. , Phan Hoa , Herng Tun Seng , Ding Jun , Wu Jishan
Published: April 2018

A dithieno[a,h]‐s‐indacene‐ (DTI‐) based diradicaloid DTI‐2Br was synthesized and its open‐shell singlet diradical character was validated by magnetic measurements. On the other hand, its macrocyclic trimer DTI‐MC3 and tetramer DTI‐MC4 turned out to be closed‐shell compounds with global antiaromaticity, which was supported by X‐ray crystallographic analysis and NMR spectroscopy, assisted by ACID and 2D‐ICSS calculations. Such change can be explained by a subtle balance between two types of antiferromagnetic spin–spin coupling along the π‐conjugated macrocycles. The dications of DTI‐MC3 and DTI‐MC4 turned out to be open‐shell singlet diradical dications, with a singlet–triplet energy gap of −2.90 and −2.60 kcal mol−1, respectively. At the same time, they are both global aromatic. Our studies show that intramolecular spin–spin interactions play important roles on electronic properties of π‐conjugated macrocycles.
Enhanced thermal and electrical insulation properties of polyimide films determined via a two‐dimensional layered double hydroxide–potassium perfluorooctane sulfonate material
Authors: Ma Lili , Lei Qingquan
Published: April 2018

Polyimide (PI) films used in aerospace and rail applications are degraded by thermal, chemical, and electric power under the effect of insulation aging. To prevent these types of degradation, we prepared nanocomposite films of PI and layered double hydroxide (LDH) modified with the potassium perfluorooctane sulfonate (FS) by an in situ method. On the whole, the glass‐transition temperature, dielectric constant (ɛ′), and corona‐resistance lifetime of the nanocomposite films increased over those of the pure PI film, but the temperature at 10 wt % weight loss, breakdown strength, and volume resistance decreased correspondingly as a whole. The PI matrix was protected by the inorganic material of LDH–FS with a high ɛ′ from corona corrosion. Furthermore, the heat and chemical interactions of the composite films improved the corona‐resistance lifetime, despite the decrease in the breakdown strength; this should result in promising applications for insulation parts of variable‐frequency motors. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46528.
Molecular insights into trypanothione reductase‐inhibitor interaction: A structure‐based review
Authors: Tiwari Neha , Tanwar Neetu , Munde Manoj
Published: April 2018

Information on how small molecules bind to the target enzyme has the potential to impact immensely on how medicinal chemists go about antiparasitic drug discovery. In this review, for the first time, we intend to make an assessment of the structural aspects of trypanothione reductase as drug target, and its complexes with several reversible drugs from the Protein Data Bank (PDB). We attempt to reveal the mechanism of these interactions by careful accounting of the X‐ray structures and their possible roles in biological activity to treat Trypanosomatidae diseases. We focus on some of the outstanding findings from structures that are relevant to anti‐trypanocidal drug discovery. We also review new interesting compounds that have appeared in the literature based on these X‐ray structures.
Efficacy and Safety of Subcutaneous Belimumab in Anti–Double‐Stranded DNA–Positive, Hypocomplementemic Patients With Systemic Lupus Erythematosus
Authors: Doria A. , Stohl W. , Schwarting A. , Okada M. , Scheinberg M. , van Vollenhoven R. , Hammer A. E. , Groark J. , Bass D. , Fox N. L. , Roth D. , Gordon D.
Published: April 2018

Objective

To investigate the efficacy and safety of belimumab, a human immunoglobulin monoclonal antibody against B lymphocyte stimulator, in a subset of patients with systemic lupus erythematosus (SLE) who were hypocomplementemic (C3 <90 mg/dl and/or C4 <10 mg/dl) and anti–double‐stranded DNA (anti‐dsDNA) positive (≥30 IU/ml) at baseline.

Methods

In this phase III, double‐blind, placebo‐controlled study (BEL112341; ClinicalTrials.gov identifier: NCT01484496), patients with moderate to severe SLE (Safety of Estrogens in Lupus Erythematosus National Assessment version of the Systemic Lupus Erythematosus Disease Activity Index [SELENA–SLEDAI] score ≥8) were randomized (2:1) to receive weekly subcutaneous (SC) belimumab 200 mg or placebo, plus standard SLE therapy, for 52 weeks. The primary end point was SLE Responder Index 4 (SRI‐4) response rate at week 52. Secondary end points were time to severe flare and reduction in corticosteroid dose (weeks 40–52). Safety was assessed throughout.

Results

Of the 836 patients in the intent‐to‐treat (ITT) population, 356 were hypocomplementemic and anti‐dsDNA positive at baseline (108 in the placebo group and 248 in the SC belimumab 200 mg group). Compared with placebo, the belimumab group contained more SRI‐4 responders (47.2% versus 64.6%; P = 0.0014), had a lower incidence of severe flare according to the SELENA‐SLEDAI flare index (31.5% versus 14.1%), and had a greater percentage of patients who reduced corticosteroid dosage by ≥25% to ≤7.5 mg/day during weeks 40–52 (11.4% versus 20.7%; P = 0.0844). Adverse events (AEs) were similar between treatment groups.

Conclusion

Our findings indicate that in hypocomplementemic, anti‐dsDNA–positive SLE patients, weekly SC belimumab 200 mg significantly improves SRI‐4 response, decreases severe flare incidence, and reduces corticosteroid use versus placebo; a trend toward greater benefit compared with the overall ITT population was observed. AEs were consistent with the known safety profile of belimumab.
Brief Report: Lupus—An Unrecognized Leading Cause of Death in Young Females: A Population‐Based Study Using Nationwide Death Certificates, 2000–2015
Authors: Yen Eric Y. , Singh Ram R.
Published: April 2018

Objective

Mortality statistics from the Centers for Disease Control and Prevention (CDC) are used for planning health care policy and allocating resources. The CDC uses these data to compile its annual ranking of leading causes of death based on a selected list of 113 causes. Systemic lupus erythematosus (SLE) is not included on this list. Since the ranking is a useful tool for assessing the relative burden of cause‐specific mortality, this study was undertaken to rank SLE deaths among the CDC's leading causes of death to see whether SLE is a significant cause of death among females.

Methods

Death counts for the female population of the US were obtained from the CDC's Wide‐ranging Online Data for Epidemiologic Research database and then grouped by age and race/ethnicity. Data on the leading causes of death were obtained from the Web‐based Injury Statistics Query and Reporting System database.

Results

During 2000–2015, there were 28,411 deaths of females with SLE recorded as an underlying or contributing cause of death. SLE ranked among the top 20 leading causes of death in females between 5 and 64 years of age. SLE ranked tenth among those ages 15–24 years, fourteenth among those ages 25–34 years and 35–44 years, and fifteenth among those ages 10–14 years. For African American and Hispanic females, SLE ranked fifth among those ages 15–24 years, sixth among those ages 25–34 years, and eighth or ninth among those ages 35–44 years, after the 3 common external injury causes of death were excluded from the analysis.

Conclusion

SLE is among the leading causes of death in young females, underscoring its impact as an important public health issue.
Use of dynamic images in radiology education: Movies of CT and MRI in the anatomy classroom
Authors: Jang Hye Won , Oh Chang‐Seok , Choe Yeon Hyeon , Jang Dong Su
Published: April 2018

Radiology education is a key component in many preclinical anatomy courses. However, the reported effectiveness of radiology education within such anatomy classrooms has varied. This study was conducted to determine if a novel educational method using dynamic images of movies of computed tomography (CT) and magnetic resonance imaging (MRI) was effective in radiology education during a preclinical anatomy course, aided by clay modeling, specific hand gestures (digit anatomy), and reports from dissection findings uploaded to the anatomy course website (digital reports). Feedback surveys using a five‐point Likert scale were administered to better clarify students' opinions regarding their understanding of CT and MRI of anatomical structures, as well as to determine if such preclinical radiology education was helpful in their clinical studies. After completion of the anatomy course taught with dynamic images of CT and MRI, most students demonstrated an adequate understanding of basic CT and MR images. Additionally, students in later clinical years generally believed that their study of radiologic images during the preclinical anatomy course was helpful for their clinical studies and clerkship rotations. Moreover, student scores on imaging anatomy examinations demonstrated meaningful improvements in performance after using dynamic images from movies of CT and MRI.
Organocatalytic Strategies for the Synthesis of Cyclopenta‐Fused Arenes and Heteroarenes
Authors: Satpathi Bishnupada , Mondal Atanu , Ramasastry S. S. V.
Published: April 2018

Cyclopentanoids are omnipresent in natural products and pharmaceutically relevant compounds. Among them, cyclopenta‐fused arenes and heteroarenes possess impressive biological properties and play significant role in materials science. Consequently, several notable methods have been developed for their synthesis over the years. In this review, we mainly described metal‐free and organocatalytic approaches that led to the construction of pentannulated arenes and heteroarenes.
State‐Feedback Control for a Class of Timed Petri Nets Subject to Marking Constraints
Authors: Tebani Karima , Amari Said , Kara Redouane
Published: April 2018

The paper contributes with an original method of designing a control for discrete event systems modeled by a class of timed Petri nets. Precisely, this work deals with the closed loop control of Timed Event Graphs (TEGs) under specifications expressed with linear marking constraints. The objective of the controller is to limit the number of tokens in some places of these TEGs. The behavior of TEGs is represented by a system of difference equations that are linear in Min‐Plus algebra and the constraints are described by a set of inequalities, which are also linear in Min‐Plus algebra. A formal approach to design control laws that guarantee compliance with these marking constraints is proposed. For this, two sufficient conditions for the existence of control laws are proposed. The computed controls are causal feedbacks, which can be represented by a set of marked and timed places. The proposed method is illustrated in two applications: a manufacturing production line and an assembly system.
Use of high‐resolution precipitation observations in quantifying the effect of urban extent on precipitation characteristics for different climate conditions over the Pearl River Delta, China
Authors: Wang Dashan , Wang Dagang , Qi Xiangyan , Liu Lin , Wang Xianwei
Published: April 2018

Few studies conduct a quantitative assessment between the urban extent and local precipitation characteristics. In this paper, high‐resolution precipitation data and urban extent data are used to investigate the correlation between precipitation frequency, intensity and extremes and urban extent under different climate conditions over the Pearl River Delta, China. Analysis reveals that extreme precipitation amount (R = 0.45 for 1‐hr maximum) and mean intensity (R = 0.56) are positively correlated with urban extent and that wet hours (R = −0.58) are negatively correlated with urban extent. The correlation coefficients between urban extent and extreme indices increase with the decrease in temporal scale of indices. The high coefficients of precipitation intensity and urban extent are mainly attributed to the precipitation under the tropical convection, and the negative coefficient of total wet hours is dominated by precipitation frequency under the Southwest monsoon. By contrast, the precipitation characteristics are less correlated with urban extent during typhoon events. Urban environments probably play a positive role in generating the short‐duration heavy precipitation through enhancing deep convections induced by higher surface temperature and higher aerosol concentration.
Grundinstandsetzung Wehr Geesthacht an der Elbe
Authors: Lühr Stefan , Jäppelt Ulrich
Published: April 2018

Die Wehranlage Geesthacht befindet sich etwa 140 km oberhalb der Elbmündung, südwestlich der Stadt Geesthacht, und wurde in den Jahren 1957–1960 als Bestandteil der Staustufe Geesthacht als vierfeldriges Sektorenwehr mit je 50 m Feldweite errichtet. Die Anlage war für einen angestrebten Stau im Oberwasser von NHN +5,65 m ausgelegt, und mit dem Bau des Wehrs sollte ursprünglich nördlich neben dem vierten Wehrfeld ein Laufkraftwerk errichtet werden. Im Zuge der Planfeststellung wurde der zulässige Stau im Oberwasser auf NHN +4,00 m beschränkt, also 1,65 m niedriger als angestrebt. Das Laufkraftwerk wurde dadurch unwirtschaftlich und nie errichtet. An dieser Stelle befindet sich heute eine feste Überlaufschwelle. Auf den Wehrpfeilern ist eine Straßenbrücke gegründet, die die Bundesstraße 404 über die Elbe führt.

Im Zuge des Betriebs sind am Wehr teils erhebliche Schäden am Massivbau sowie den stählernen Verschlusssystemen entstanden. Zur Sicherstellung der Dauerhaftigkeit und Betriebssicherheit der Wehranlage ist eine Grundinstandsetzung erforderlich.
Equivalence‐based instruction to establish a textual activity schedule in an adult with Down syndrome
Authors: Ortega Daniel , Lovett Sadie
Published: April 2018

Transfer of control from picture to text‐based activity schedules has been shown to occur following conditional discrimination training in children with autism. This study extended this research by evaluating if conditional discrimination training could promote transfer of control in an adult with Down syndrome. The participant was taught to select photographs and pictures of kitchen tools when provided with dictated names. Then, he completed a text‐based activity schedule, matched printed words to photographs, and orally named printed words without direct training.
CRISPR/Cas9 Mediated GFP Knock‐in at the MAP1LC3B Locus in 293FT Cells Is Better for Bona Fide Monitoring Cellular Autophagy
Authors: Wu Zhiqiang , Zhao Jinlin , Qiu Minghan , Mi Zeyun , Meng Maobin , Guo Yu , Wang Hui , Yuan Zhiyong
Published: April 2018

Accurately identifying and quantifying cellular autophagy is very important as the significance of autophagy in physiological and pathological processes becomes increasingly evident. Ectopically expressed fluorescent‐tagged microtubule‐associated protein light chain 3B (MAP1LC3B, LC3) is the most widely used reporter for monitoring autophagy activity thus far. However, this approach ignores the influence of constitutively overexpressed LC3 on autophagy itself and autophagy‐related processes and its accuracy in indicating autophagy is questionable. Here, we generated a knock‐in GFP‐LC3 reporter via the CRISPR/Cas9 system in 293FT cells to add GFP to the N‐terminal of and in frame with endogenous LC3. We proved that this knock‐in GFP‐LC3 was expressed at biological level driven by the endogenous transcriptional regulatory elements as the wild type alleles. Compared with the ectopically expressed GFP‐LC3, the endogenous knock‐in reporter exhibited much higher sensitivity and signal‐to‐noise ratio of GFP‐LC3 puncta upon the induction or inhibition of autophagy at certain step for monitoring autophagy activity. Thus, according to the previous reported concerning and the results presented here, we suggest that this knock‐in GFP‐LC3 reporter is better for bona fide monitoring cellular autophagy and should be employed for further study of autophagy in vitro and in vivo.
Discerning bias in forensic psychological reports in insanity cases
Authors: Neal Tess M. S.
Published: April 2018

This project began as an attempt to develop systematic, measurable indicators of bias in written forensic mental health evaluations focused on the issue of insanity. Although forensic clinicians observed in this study did vary systematically in their report‐writing behaviors on several of the indicators of interest, the data are most useful in demonstrating how and why bias is hard to ferret out. Naturalistic data were used in this project (i.e., 122 real forensic insanity reports), which in some ways is a strength. However, given the nature of bias and the problem of inferring whether a particular judgment is biased, naturalistic data also made arriving at conclusions about bias difficult. This paper describes the nature of bias – including why it is a special problem in insanity evaluations – and why it is hard to study and document. It details the efforts made in an attempt to find systematic indicators of potential bias, and how this effort was successful in part, but also how and why it failed. The lessons these efforts yield for future research are described. We close with a discussion of the limitations of this study and future directions for work in this area.
Design of Carbon/Metal Oxide Hybrids for Electrochemical Energy Storage
Authors: Fleischmann Simon , Tolosa Aura , Presser Volker
Published: April 2018

Next generation electrochemical energy storage materials that enable a combination of high specific energy, specific power, and cycling stability can be obtained by a hybridization approach. This involves electrode materials that contain carbon and metal oxide phases linked on a nanoscopic level and combine characteristics of supercapacitors and batteries. The combination of the components requires careful design to create synergistic effects for an increased electrochemical performance. Improved understanding of the role of carbon as a substrate has advanced the power handling and cycling stability of hybrid materials significantly in recent years. This Concept outlines different design strategies for the design of hybrid electrode materials: (1) the deposition of metal oxides on readily existing carbon substrates and (2) co‐synthesizing both carbon and metal oxide phase during the synthesis procedure. The implications of carbon properties on the hybrid material's structure and performance will be assessed and the impact of the hybrid electrode architecture will be analyzed. The advantages and disadvantages of all approaches are highlighted and strategies to overcome the latter will be proposed.
Phase Transition Induced by Gas Adsorption in Metal‐Organic Frameworks
Authors: Luna‐Triguero Azahara , Vicent‐Luna Jose Manuel , Calero Sofia
Published: April 2018

We present a molecular simulation study with the aim of investigating the structural phase transition of ZJU‐198 metal‐organic framework. This material has been recently synthetized with the appropriate control of window size, which performs well for the separation of mixtures of gases containing nitrogen and methane. We find that the adsorption of small gases in this structure is unusual, and provide an explanation of the molecular mechanisms involved. Using molecular simulation, we analyze the structural distortions exerted by the adsorption of carbon dioxide, nitrogen, methane, acetylene, and ethene. We found that the separation of mixtures composed of these gases in ZJU‐198 is due to the organic linker of the structure. The rotation of this linker causes the expansion of the cavities and enhances gas separation by allowing the adsorption of molecules that a priori are too big to be adsorbed.
Two Macrocycles in One Shot: Synthesis, Spectroscopy, Photophysics, and Tautomerism of 23‐Oxahemiporphycene and 21‐Oxacorrole‐5‐carbaldehyde
Authors: Ostapko Jakub , Kelm Anna , Kijak Michał , Leśniewska Barbara , Waluk Jacek
Published: April 2018

The synthesis of 23‐oxahemiporphycene, the first monooxa analogue of hemiporphycene, a structural isomer of porphyrin, is reported. Its generation under McMurry reaction conditions is surprisingly accompanied by the appearance of a formyl derivative of oxacorrole, 21‐oxacorrole‐5‐carbaldehyde. A mechanism for the formation of the latter is proposed, relying on pinacol rearrangement of titanium pinacolate. The structures of the most stable tautomeric forms are established for both compounds based on IR and NMR spectra combined with DFT calculations. Spectral and photophysical characteristics are compared with those of structurally similar macrocycles. Replacement of one nitrogen by oxygen in hemiporphycene has only a minor impact. In contrast, for corrole it leads to the enhancement of stability and to strongly reduced rates of nonradiative deactivation of the lowest excited singlet state. This is explained by the planarity of oxacorroles, achieved by removing one of the inner hydrogen atoms from the inner cavity. Unusual crystal packing is observed for the protonated form of 23‐oxahemiporphycene, which exhibits a π–π stacked columnar alignment of positively charged macrocycle units.
Structural Mass Spectrometry of Membrane Proteins within Their Native Lipid Environments
Authors: Reading Eamonn
Published: April 2018

Mass spectrometry has emerged as an important structural biology tool for understanding membrane protein structure, function, and dynamics. Generally, structural mass spectrometry of membrane proteins has been performed on purified or reconstituted systems which lack the native lipid membrane and cellular environments. However, there has been progress in the use and adaptations of these methods for probing membrane proteins within increasingly more native contexts. In this Concept article the use and utility of structural mass spectrometry techniques for studying membrane proteins within native environments are highlighted.
Increased left atrial size is associated with higher atrial fibrillation recurrence in patients treated with antiarrhythmic medications
Authors: Mulukutla Saarang , Althouse Andrew D. , Jain Sandeep K. , Saba Samir
Published: April 2018

Background

Atrial fibrillation (AF) is highly prevalent, and antiarrhythmic therapy is often used to help with rhythm control. Some common echocardiographic parameters may be useful in predicting AF recurrence among these patients. The purpose of this study was to evaluate the association between 3 common echocardiographic parameters (left atrial [LA] size, left ventricular ejection fraction [LVEF], and mitral regurgitation [MR]) and AF recurrence among patients treated with antiarrhythmic medications.

Hypothesis

We hypothesized that LA size, LVEF, and severity of MR are predictors of AF recurrence in this population.

Methods

A real‐world cohort of AF patients who had transthoracic echocardiograms was analyzed. Data on LA size, LVEF, and MR were collected retrospectively from echocardiography reports. Patients were followed from the time of the echocardiogram until first recurrence of AF.

Results

A total of 2522 patients had echocardiography reports available for review. LA size showed the strongest prognostic relationship with AF recurrence; neither LVEF nor MR was significantly associated with AF recurrence. These results persisted after adjusting for age, sex, race, tobacco use, alcohol use, drug use, body mass index, and Charlson Comorbidity Index in a multivariable model.

Conclusions

In a cohort of patients treated with antiarrhythmic medications that had transthoracic echocardiogram data, LA size was a significant predictor of AF recurrence. The clinical utility of this finding would be strengthened by replication in a multicenter setting.
Harnessing mHealth technologies to increase physical activity and prevent cardiovascular disease
Authors: Feldman David I. , Theodore Robison W. , Pacor Justin M. , Caddell Luke C. , Feldman Erica B. , Deitz Rachel L. , Feldman Theodore , Martin Seth S. , Nasir Khurram , Blaha Michael J.
Published: April 2018

Research into prevention of cardiovascular disease has increasingly focused on mobile health (mHealth) technologies and their efficacy in helping individuals adhere to heart‐healthy recommendations, including daily physical activity levels. By including the use of mHealth technologies in the discussion of physical activity recommendations, clinicians empower patients to play an active daily role in modifying their cardiovascular risk‐factor profile. In this review, we critically evaluate the mHealth and physical activity literature to determine how these tools may lower cardiovascular risk while providing real‐time tracking, feedback, and motivation on physical activity levels. We analyze the various domains—including user knowledge, social support, behavioral change theory, and self‐motivation—that potentially influence the effectiveness of smartphone applications to impact individual physical activity levels. In doing so, we hope to provide a thorough overview of the mHealth landscape, in addition to highlighting many of the administrative, reimbursement, and patient‐privacy challenges of using these technologies in patient care. Finally, we propose a behavioral change model and checklist for clinicians to assist patients in utilizing mHealth technology to best achieve meaningful changes in daily physical activity levels.
Structural Reversibility of LaCo1‐xCuxO3 Followed by In Situ X‐ray Diffraction and Absorption Spectroscopy
Authors: Pereñíguez Rosa , Ferri Davide
Published: April 2018

Combinations of perovskite‐type oxides with transition and precious metals exhibit a remarkable self‐regenerable property that could be exploited for numerous practical applications. The objective of the present work was to study the reversibility of structural changes of perovskite‐type oxides under cyclic reducing/oxidizing atmosphere by taking advantage of the reducibility of LaCoO3. LaCoO3±δ and LaCo0.8Cu0.2O3±δ were prepared by ultrasonic spray combustion and were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD), X‐ray absorption spectroscopy (XAS) and temperature‐programmed reduction (TPR). XRD and XAS data confirmed that copper adopted the coordination environment of cobalt at the B‐site of the rhombohedral LaCoO3 under the selected synthesis conditions. The structural evolution under reducing atmosphere was studied by in situ XRD and XANES supporting the assignment of the observed structural changes to the reduction of the perovskite‐type oxide from ABB'O3 (B’=Cu) to B’0/ABO3 and to B’0B0/A2O3. Successive redox cycles allowed the observation of a nearly complete reversibility of the perovskite phase, i. e. copper was able to revert into LaCoO3 upon oxidation. The reversible reduction/segregation of copper and incorporation at the B‐site of the perovskite‐type oxides could be used in chemical processes where the material can be functionalized by segregation of Cu and protected against irreversible structural changes upon re‐oxidation.
The Electrochemical Performance of Silicon Nanoparticles in Concentrated Electrolyte
Authors: Chang Zeng‐hua , Wang Jian‐tao , Wu Zhao‐hui , Gao Min , Wu Shuai‐jin , Lu Shi‐gang
Published: April 2018

Silicon is a promising material for anodes in energy‐storage devices. However, excessive growth of a solid–electrolyte interphase (SEI) caused by the severe volume change during the (de)lithiation processes leads to dramatic capacity fading. Here, we report a super‐concentrated electrolyte composed of lithium bis(fluorosulfonyl)imide (LiFSI) and propylene carbonate (PC) with a molar ratio of 1:2 to improve the cycling performance of silicon nanoparticles (SiNPs). The SiNP electrode shows a remarkably improved cycling performance with an initial delithiation capacity of approximately 3000 mAh g−1 and a capacity of approximately 2000 mAh g−1 after 100 cycles, exhibiting about 6.8 times higher capacity than the cells with dilute electrolyte LiFSI‐(PC)8. Raman spectra reveal that most of the PC solvent and FSI anions are complexed by Li+ to form a specific solution structure like a fluid polymeric network. The reduction of FSI anions starts to play an important role owing to the increased concentration of contact ion pairs (CIPs) or aggregates (AGGs), which contribute to the formation of a more mechanically robust and chemically stable complex SEI layer. The complex SEI layer can effectively suppress the morphology evolution of silicon particles and self‐limit the excessive growth, which mitigates the crack propagation of the silicon electrode and the deterioration of the kinetics. This study will provide a new direction for screening cycling‐stable electrolytes for silicon‐based electrodes.
Evaluation of photoshop based image analysis in cytologic diagnosis of pleural fluid in comparison with conventional modalities
Authors: Jafarian Amir Hossein , Tasbandi Aida , Mohamadian Roshan Nema
Published: April 2018

Background

The aim of this study is to investigate and compare the results of digital image analysis in pleural effusion cytology samples with conventional modalities.

Materials and Methods

In this cross‐sectional study, 53 pleural fluid cytology smears from Qaem hospital pathology department, located in Mashhad, Iran were investigated. Prior to digital analysis, all specimens were evaluated by two pathologists and categorized into three groups as: benign, suspicious, and malignant. Using an Olympus microscope and Olympus DP3 digital camera, digital images from cytology slides were captured. Appropriate images (n = 130) were separately imported to Adobe Photoshop CS5 and parameters including area and perimeter, circularity, Gray Value mean, integrated density, and nucleus to cytoplasm area ratio were analyzed.

Results

Gray Value mean, nucleus to cytoplasm area ratio, and circularity showed the best sensitivity and specificity rates as well as significant differences between all groups. Also, nucleus area and perimeter showed a significant relation between suspicious and malignant groups with benign group. Whereas, there was no such difference between suspicious and malignant groups.

Conclusion

We concluded that digital image analysis is welcomed in the field of research on pleural fluid smears as it can provide quantitative data to apply various comparisons and reduce interobserver variation which could assist pathologists to achieve a more accurate diagnosis.
Liquid‐based cytology in the diagnosis of Langerhans cell sarcoma: A case report
Authors: Iwasaki Kazumi , Sakai Yasuhiro , Mori Masaki , Imamura Yoshiaki
Published: April 2018

Langerhans cell sarcoma (LCS) is an extremely rare malignant dendritic cell neoplasm with Langerhans cell differentiation. Conventional cytology, based on cell morphology alone, cannot render a cytological diagnosis of LCS because immunochemical analysis is essential to identify the Langerhans cell immunophenotype. We present a case illustrating the value of liquid‐based cytology with immunocytochemistry as compared with conventional cytology, along with histological and immunohistochemical findings. A 92‐year‐old woman presented with a 1‐month history of progressive right cervical lymphadenopathy. Cytology of a fine needle aspiration sample from the right superior internal jugular lymph node revealed proliferation of atypical, pleomorphic, and histiocytoid cells with one or more irregular‐shaped nuclei. Compared with conventional cytology, liquid‐based cytology demonstrated more clustered and spatial cells, slightly less marked nuclear atypia, more intense light green staining of the cytoplasm, and a clearer background. Immunocytochemical analysis of the abnormal cells revealed expression of vimentin, CD1a, langerin, CD68, and S‐100. The combined morphologic and immunocytochemical results strongly indicated LCS. Histological and immunohistochemical examination of a subsequent excisional biopsy specimen closely coincided with the results of liquid‐based cytology. Thus, this technique, including the use of immunocytochemistry, is very useful and valuable for the pathological diagnosis of nonepithelial and hematopoietic neoplasms. There are subtle but considerable differences in cell morphology between conventional and liquid‐based cytology; these differences include clusterability, spatial findings, dyeability, and atypism as illustrated in this case of LCS.
Regulation of neural crest development by the formin family protein Daam1
Authors: Ossipova Olga , Kerney Ryan , Saint‐Jeannet Jean‐Pierre , Sokol Sergei Y.
Published: April 2018

The neural crest (NC) multipotent progenitor cells form at the neural plate border and migrate to diverse locations in the embryo to differentiate into many cell types. NC is specified by several embryonic pathways, however the role of noncanonical Wnt signaling in this process remains poorly defined. Daam1 is a formin family protein that is present in embryonic ectoderm at the time of NC formation and can mediate noncanonical Wnt signaling. Our interference experiments indicated that Daam1 is required for NC gene activation. To further study the function of Daam1 in NC development we used a transgenic reporter Xenopus line, in which GFP transcription is driven by sox10 upstream regulatory sequences. The activation of the sox10:GFP reporter in a subset of NC cells was suppressed after Daam1 depletion and in embryos expressing N‐Daam1, a dominant interfering construct. Moreover, N‐Daam1 blocked reporter activation in neuralized ectodermal explants in response to Wnt11, but not Wnt8 or Wnt3a, confirming that the downstream pathways are different. In complementary experiments, a constitutively active Daam1 fragment expanded the NC territory, but this gain‐of‐function activity was eliminated in a construct with a point mutation in the FH2 domain that is critical for actin polymerization. These observations suggest a new role of Daam1 and actin remodeling in NC specification.
Reactions of Amine–Boranes with Oxalic Acid: Substitution on the N or B Atom Leads to Different Spiroborate Compounds
Authors: Zhao Qianyi , Li Jiaxuan , Ma Na‐Na , Wei Chang‐Geng , Xu Ting , Li Bao , Zhang Jie , Chen Xuenian
Published: April 2018

A mild and convenient reaction of amine–boranes and oxalic acid to bi‐ or tricyclic spiroborate compounds is presented. The substitution position (on the N or B atom) of amine–boranes plays an important role on the divergence of reaction pathways: ammonia–borane (NH3·BH3, AB) or N‐substituted amine–boranes NHnMe3–n·BH3 (n = 0, 1, 2) give bicyclic spiroborate compounds 1a–d, whereas B‐substituted amine–borane NH3·BH2Me leads to tricyclic spiroborate compound 3. Fortunately, acyloxyboranes were detected as important intermediates by NMR spectroscopy in the reaction of ammonia–borane and oxalic acid, uncovering a stepwise dehydrogenation pathway.
Palladium‐Catalyzed Direct Approach to α‐Trifluoromethyl Alcohols by Selective Hydroxylfluorination of gem‐Difluoroalkenes
Authors: Zhang Bin , Zhang Xiaofei , Hao Jian , Yang Chunhao
Published: April 2018

A novel palladium‐catalyzed selective hydroxylfluorination of gem‐difluoroalkenes has been developed. By employing easily obtainable gem‐difluoroalkenes and NFSI as the fluorine source, the scope, advantages, and limitations of this reaction were investigated. The reaction presents an efficient synthesis to afford a series of α‐trifluoromethyl alcohols in good to excellent yields. Furthermore, this reaction probably proceeds via oxidation of Pd0 to PdII fluoride complex by NFSI, followed by fluoropalladation of gem‐difluoroalkenes to generate an α‐trifluoromethylbenzyl–Pd intermediate. And this strategy offers more possibilities for the construction of other bonds, such as C–C, C–N and C–S.
Direct Coupling of PEM Fuel Cell to Supercapacitors for Higher Durability and Better Energy Management
Authors: Gérardin K. , Raël S. , Bonnet C. , Arora D. , Lapicque F.
Published: April 2018

A single polymer electrolyte fuel cell has been directly hybridized to a stack of three supercapacitors: the system formed has been investigated in operation in the fuel cell dynamic load cycle, which emulates the energy demand in transported applications. Comparison with regular, non‐hybridized fuel cell operation was analyzed in terms of hydrogen consumption in the case that the gas flow rates are directly controlled by cell current during the cycles with constant gas stoichiometric factors: the smoothening effect of the supercapacitors in the overall circuit leads to more even profiles of the cell current and voltage in the cycle, which allows safer and better hydrogen consumption management in this regime: the average H2 consumption per cycle could be reduced by 16% without change of the overall energy produced. Besides, the runs were conducted over more than 1,300 hours with evaluation of the fuel cell performance and capacity at regular intervals, with or without hybridization. A moderate positive effect of hybridization was observed in the time variations of the voltage‐current curves and the fuel crossover. However, the resistances for ohmic, charge transfer and diffusion phenomena, were not so much improved by the hybridization, in spite of less sharp voltage.
Evolution of formation pressure and accumulation of natural gas in the Upper Palaeozoic, eastern‐central Ordos Basin, Central China
Authors: Wang Weili , Zhang Yamin , Zhao Jing
Published: April 2018

The exploration achievements in the eastern‐central Ordos Basin have attracted tremendous attention in recent years. However, only a few studies were carried out on the relationship between formation pressure and distribution of natural gas in this area. The formation pressure of 293 wells, logging data of 154 wells, and fluid inclusion samples of 53 wells were analysed in this paper, and the results show that the mudstones from Permian Upper Shihezi Formation to Permian Taiyuan Formation are mostly undercompacted. Four gas‐bearing layers with significant differences in pressure profile can be further divided into Permian negative pressure system and Carboniferous normal pressure system. The distribution of current formation pressure is high in the east and north areas but low in the west and south areas. The sedimentary facies and distribution of formation pressure in Permian have a good consistency. The vertical development (zonation) of gas reservoirs is controlled by the undercompacted mudstone layers, and the reservoirs can be found in the “low pressure” areas of negative pressure strata in the Permian and “high pressure” regions of normal pressure strata in the Carboniferous. The pressure evolution and accumulation process can be divided into 3 stages: hydrocarbon‐generation supercharging accumulation during Late Jurassic—end of Early Cretaceous, sandstone resilience discharging accumulation during end of Early Cretaceous—Paleogene, and adjusting accumulation during Paleogene—Quaternary. The discovery of the relationship between formation pressure and gas reservoirs is significant to the future natural gas exploration in this area.
Using dolls for therapeutic purposes: A study on nursing home residents with severe dementia
Authors: Cantarella A. , Borella E. , Faggian S. , Navuzzi A. , De Beni R.
Published: April 2018

Objectives

Among the psychosocial interventions intended to reduce the behavioral and psychological symptoms of dementia (BPSD), doll therapy (DT) is increasingly used in clinical practice. Few studies on DT have been based on empirical data obtained with an adequate procedure; however, none have assessed its efficacy using an active control group, and the scales used to assess changes in BPSD are usually unreliable. The aim of the present study was to measure the impact of DT on people with severe dementia with a reliable, commonly used scale for assessing their BPSD, and the related distress in formal caregivers. Effects of DT on the former's everyday abilities (ie, eating behavior) were also examined.

Method

Twenty‐nine nursing home residents aged from 76 to 96 years old, with severe dementia (Alzheimer's or vascular dementia), took part in the experiment. They were randomly assigned to an experimental group that used dolls or an active control group that used hand warmers with sensory characteristics equivalent to the dolls. Benefits of DT on BPSD and related formal caregiver distress were examined with the Neuropsychiatric Inventory. The effects of DT on eating behavior were examined with the Eating Behavior Scale.

Results

Only the DT group showed a reduction in BPSD scores and related caregiver distress. DT did not benefit eating behavior, however.

Conclusions

This study suggests that DT is a promising approach for reducing BPSD in people with dementia, supporting evidence emerging from previous anecdotal studies.
Glecaprevir/Pibrentasvir Treatment in Liver or Kidney Transplant Patients With Hepatitis C Virus Infection
Authors: Reau Nancy , Kwo Paul Y. , Rhee Susan , Brown Robert S. , Agarwal Kosh , Angus Peter , Gane Edward , Kao Jia‐Horng , Mantry Parvez S. , Mutimer David , Reddy K. Rajender , Tran Tram T. , Hu Yiran B. , Gulati Abhishek , Krishnan Preethi , Dumas Emily O. , Porcalla Ariel , Shulman Nancy S. , Liu Wei , Samanta Suvajit , Trinh Roger , Forns Xavier
Published: April 2018

Well‐tolerated, ribavirin‐free, pangenotypic hepatitis C virus (HCV) treatments for transplant recipients remain a high priority. Once‐daily glecaprevir/pibrentasvir demonstrates high rates of sustained virologic response at 12 weeks posttreatment (SVR12) across all major HCV genotypes (GTs). This trial evaluated the safety and efficacy of glecaprevir/pibrentasvir for patients with chronic HCV GT1‐6 infection who had received a liver or kidney transplant. MAGELLAN‐2 was a phase 3, open‐label trial conducted in patients who were ≥3 months posttransplant. Patients without cirrhosis who were HCV treatment‐naive (GT1‐6) or treatment‐experienced (GT1, 2, 4‐6; with interferon‐based therapy with or without sofosbuvir, or sofosbuvir plus ribavirin) received glecaprevir/pibrentasvir (300/120 mg) once daily for 12 weeks. The primary endpoint compared the percentage of patients receiving glecaprevir/pibrentasvir with SVR12 to a historic SVR12 rate based on the standard of care. Safety of glecaprevir/pibrentasvir was assessed. In total, 80 liver transplant and 20 kidney transplant patients participated in the trial. Most patients had no or minimal fibrosis (80% had fibrosis scores F0‐F1) and were infected with HCV GT1 (57%) or GT3 (24%). The overall SVR12 was 98% (n/N = 98/100; 95% confidence interval, 95.3%–100%), which exceeded the prespecified historic standard‐of‐care SVR12 threshold of 94%. One patient experienced virologic failure. One patient discontinued because of an adverse event considered to be unrelated to treatment; this patient achieved SVR12. Adverse events were mostly mild in severity, and laboratory abnormalities were infrequent. Conclusion: Once‐daily glecaprevir/pibrentasvir for 12 weeks is a well‐tolerated and efficacious, ribavirin‐free treatment for patients with chronic HCV GT1‐6 infection who have received a liver or kidney transplant. (ClinicalTrials.gov NCT02692703.) (Hepatology 2018; 00:000‐000).
Prevention of work‐related musculoskeletal disorders in a chemical plant in Taiwan and a comparison of three assessment tools
Authors: Chao Chin‐Jung , Chen Ming ‐ Chun , Yau Yi‐Jan
Published: April 2018

Work‐related musculoskeletal disorders (WMSDs) caused by a poor working environment or an improper work design are the most common occupational diseases seriously affecting workers’ health, causing huge economic losses in many countries. Thus, the prevention of WMSDs is considered a priority issue worldwide. In this study, three ergonomics analysis tools and a statistic analysis were used to assess the risk level of exposure to WMSDs and to find improvements for the operations in a chemical plant. The applicability of these tools was also evaluated. Results of the analysis suggest that, to greatly prevent the incidence of WMSDs, a mobile elevating platform should be adopted to adjust the handling height of material bags at 90 cm, allowing the operators to stand in front of them to hold their short or long sides. Among the tools, key indicator methods–manual handling operation methods (KIM‐MHO) have the highest sensitivity.
Evaluation of remote sensing‐based evapotranspiration estimates using a water transfer numerical simulation under different vegetation conditions in an arid area
Authors: Lian Jinjiao , Li Danfeng , Huang Mingbin , Chen Hongsong
Published: April 2018

Daily actual evapotranspiration (AET) and seasonal AET values are of great practical importance in the management of regional water resources and hydrological modelling. Remotely sensed AET models and Landsat satellite images have been used widely in producing AET estimates at the field scale. However, the lack of validation at a high spatial frequency under different soil water conditions and vegetation coverages limits their operational applications. To assess the accuracies of remote sensing‐based AET in an oasis‐desert region, a total of 59 local‐scale daily AET time series, simulated using HYDRUS‐1D calibrated with soil moisture profiles, were used as ground truth values. Of 59 sampling sites, 31 sites were located in the oasis subarea and 28 sites were located in the desert subarea. Additionally, the locally validated mapping evapotranspiration at high resolution with internalized calibration surface energy balance model was employed to estimate instantaneous AET values in the area containing all 59 of the sampling sites using seven Landsat subimages acquired from June 5 to August 24 in 2011. Daily AET was obtained using extrapolation and interpolation methods with the instantaneous AET maps. Compared against HYDRUS‐1D, the remote sensing‐based method produced reasonably similar daily AET values for the oasis sites, while no correlation was observed for daily AET estimated using these two methods for the desert sites. Nevertheless, a reasonable monthly AET could be estimated. The correlation analysis between HYDRUS‐1D‐simulated and remote sensing‐estimated monthly AET values showed relative root‐mean‐square error values of 15.1%, 12.1%, and 12.3% for June, July, and August, respectively. The root mean square error of the summer AET was 10.0%. Overall, remotely sensed models can provide reasonable monthly and seasonal AET estimates based on periodic snapshots from Landsat images in this arid oasis‐desert region.