bluuebunny/crossref_metadata_2025_split huggingface dataset:
Percutaneous left atrial appendage occlusion with the Amulet device: The impact of device disc position upon periprocedural and long‐term outcomes
Authors: Oraii Yazdani Kaveh , Mitomo Satoru , Ruparelia Neil , Candilio Luciano , Giannini Francesco , Jabbour Richard J. , Regazzoli Damiano , Mazzone Patrizio , Stella Stefano , Sora Nicoleta , Montorfano Matteo , Colombo Antonio , Latib Azeem 
Published: August 2018

AbstractObjectiveTo investigate the effect of left atrial appendage (LAA) occlusion device positioning upon periprocedural and long‐term outcomes.BackgroundThe Amulet device is designed to cover the ostium of the LAA. Prolapse of the device into the neck of the LAA is not uncommon resulting in incomplete coverage of the ostium. The clinical consequences of this remain uncertain.MethodsOutcomes of 87 patients with successful LAA closure were analyzed according to Amulet disc position: group A (n = 45) had complete LAA ostium coverage; group B (n = 42) had incomplete ostium coverage because of disc prolapse. Periprocedural major adverse events (MAE) (composite of all cause death, tamponade, device/air embolization, cerebrovascular events, myocardial infarction, and major bleeding not related to vascular access complications) and total device‐related periprocedural adverse events (defined as MAE and pericardial effusion) were evaluated. All patients were followed up longitudinally with long‐term events defined as a composite of: cardiovascular death, cerebrovascular events, systemic embolization, and major bleeding requiring transfusion or intervention.ResultsMedian follow‐up was 234 days (IQR 150–436 days). There was a trend toward more periprocedural MAE in group B (P = 0.07) with deep implantation of the Amulet device associated with significantly more periprocedural adverse events (P = 0.03). There were no differences in reposition attempts (P = 0.9) or long‐term events (P = 0.57).ConclusionsOur data suggest that suboptimal device positioning may be associated with worse periprocedural outcomes but no difference in long‐term clinical outcomes. The results of this relatively small cohort does not seem to be affected by repositioning attempts during the index procedure.
Poly(vinylidene difluoride) Membrane Assisted by Modified ZnO/ZIF Nanoparticles for Membrane Distillation
Authors: Salehi Setareh , Jahanshahi Mohsen , Peyravi Majid 
Published: August 2018

AbstractPoly(vinylidene difluoride) (PVDF) polymeric membranes incorporated by synthesized hydrophobic agents were applied for membrane distillation. ZnO nanoparticles were modified with a silane coupling agent (n‐octyltriethoxysilane) and coupled by zeolite imidazole framework (ZIF)‐8 crystals. In particular, hydrophobic and porous membranes were prepared with ZIF crystals and modified ZnO/ZIF‐coupled nanoparticles. The influences of feed concentration and temperature of NaCl solution and seawater during filtration were evaluated. The hydrophobic modified membranes showed a higher permeate flux than pure PVDF membranes at different feed concentrations and feed temperatures. After modification, the porosity increased significantly and the contact angle became larger.
Design and Control of Heterogeneous Azeotropic Distillation for Separating 2‐Methylpyridine/Water
Authors: Chen Jingxing , Ye Qing , Liu Tong , Xia Hui , Feng Shenyao 
Published: August 2018

AbstractIn industrial processes, 2‐methylpyridine/water mixtures can be separated via the conventional heterogeneous azeotropic distillation (HAD) using benzene as entrainer. 2‐Methylpyridine and water can form a heterogeneous azeotrope by themselves, based on which an improved HAD process is proposed. This allows for reducing the total operating cost and total annual cost (TAC) by more than one‐tenth compared with the conventional HAD process. Two different control structures were established for the enhanced HAD process. The results indicate that applying the feedforward ratio controllers to the control structure can handle the feed disturbances and maintain product purities with smaller transient deviations and shorter settling times.
Electronic Properties of Single‐Atom and ‐Molecule Junctions
Authors: Aiba Akira , Iwane Madoka , Fujii Shintaro , Kiguchi Manabu 
Published: August 2018

AbstractThe front cover artwork is provided by the group of Manabu Kiguchi and Shintaro Fujii from Tokyo Institute of Technology (Japan). The cover picture shows a single‐molecule junction, where a single molecule bridges the metal electrodes, and several fabrication techniques of the single‐molecule junction. Read the full text of the Review at 10.1002/celc.201800787.
Supramolecular Coordination Cages for Asymmetric Catalysis
Authors: Tan Chunxia , Chu Dandan , Tang Xianhui , Liu Yan , Xuan Weimin , Cui Yong 
Published: August 2018

AbstractInspired by the high efficiency and specificity of enzymes in living systems, the development of artificial catalysts intrinsic to the key features of enzyme has emerged as an active field. Recent advances in supramolecular chemistry have shown that supramolecular coordination cages, built from non‐covalent coordination bonds, offer a diverse platform for enzyme mimics. Their inherent confined cavity, analogous to the binding pocket of an enzyme, and the facile tunability of building blocks are essential for substrate recognition, transition‐state stabilization, and product release. In particular, the combination of chirality with supramolecular coordination cages will undoubtedly create an asymmetric microenvironment for promoting enantioselective transformation, thus providing not only a way to make synthetically useful asymmetric catalysts, but also a model to gain a better understanding for the fundamental principles of enzymatic catalysis in a chiral environment. The focus here is on recent progress of supramolecular coordination cages for asymmetric catalysis, and based on how supramolecular coordination cages function as reaction vessels, three approaches have been demonstrated. The aim of this review is to offer researchers general guidance and insight into the rational design of sophisticated cage containers for asymmetric catalysis.
Radical Anions, Radical‐Anion Salts, and Anionic Complexes of 2,1,3‐Benzochalcogenadiazoles
Authors: Pushkarevsky Nikolay A. , Chulanova Elena A. , Shundrin Leonid A. , Smolentsev Anton I. , Salnikov Georgy E. , Pritchina Elena A. , Genaev Alexander M. , Irtegova Irina G. , Bagryanskaya Irina Yu. , Konchenko Sergey N. , Gritsan Nina P. , Beckmann Jens , Zibarev Andrey V. 
Published: August 2018

AbstractBy means of cyclic voltammetry (CV) and DFT calculations, it was found that the electron‐acceptor ability of 2,1,3‐benzochalcogenadiazoles1–3(chalcogen: S, Se, and Te, respectively) increases with increasing atomic number of the chalcogen. This trend is nontrivial, since it contradicts the electronegativity and atomic electron affinity of the chalcogens. In contrast to radical anions (RAs) [1].−and [2].−, RA [3].−was not detected by EPR spectroscopy under CV conditions. Chemical reduction of1–3was performed and new thermally stable RA salts [K(THF)]+[2].−(8) and [K(18‐crown‐6)]+[2].−(9) were isolated in addition to known salt [K(THF)]+[1].−(7). On contact with air, RAs [1].−and [2].−underwent fast decomposition in solution with the formation of anions [ECN]−, which were isolated in the form of salts [K(18‐crown‐6)]+[ECN]−(10, E=S;11, E=Se). In the case of3, RA [3].−was detected by EPR spectroscopy as the first representative of tellurium–nitrogen π‐heterocyclic RAs but not isolated. Instead, salt [K(18‐crown‐6)]+2[3‐Te2]2−(12) featuring a new anionic complex with coordinate Te−Te bond was obtained. On contact with air, salt12transformed into salt [K(18‐crown‐6)]+2[3‐Te4‐3]2−(13) containing an anionic complex with two coordinate Te−Te bonds. The structures of8–13were confirmed by XRD, and the nature of the Te−Te coordinate bond in [3‐Te2]2−and [3‐Te4‐3]2−was studied by DFT calculations and QTAIM analysis.
Crystal Structures of Expanded Poly(l‐leucine) Isomers Containing Bis(pyridine)silver(I) Moieties: Precise Formation of Secondary Structure Depending on the Side Chain
Authors: Okamura Taka‐aki 
Published: August 2018

AbstractPrecise construction of a three‐dimensional molecular structure is key for functional macromolecules, such as enzymes or proteins. Previously, a new concept, “expanded poly(α‐amino acid)s” containing rigid spacers, was proposed for strategic construction of chiral helices. Herein, expanded poly(l‐leucine) isomers containing bis(pyridine)silver(I) moieties were synthesized, and their crystal structures were determined by X‐ray analysis. Each expanded polypeptide forms a unique secondary structure, a left‐handed 61 helix or zigzag chain (21 helix), precisely depending on the chemical structure of the side chain, that is, slight branching. Distinct conformations were indicated by two main areas in the Ramachandran plot. These results suggest that the appropriate selection of the amino acid sequence and rigid spacers will lead to a new expanded protein with a tailor‐made three‐dimensional structure and desired functions.
Photocatalytic Additions of 1‐Sulfoximidoyl‐1,2‐Benziodoxoles to Styrenes
Authors: Wang Han , Zhang Duo , Bolm Carsten 
Published: August 2018

AbstractSulfoximidoyl‐containing 1,2‐benziodoxoles add to styrenes by a photoredox radical process affording difunctionalized products with high regioselectivity. The solvent plays a significantly role in the reaction path, in which Eosin Y appears to have a dual role rendering the process diastereoselective.
Synthesis of Aryl Hydrazines via CuI/BMPO Catalyzed Cross‐Coupling of Aryl Halides with Hydrazine Hydrate in Water
Authors: Kumar Siripuram Vijay , Ma Dawei 
Published: August 2018

AbstractThe N,N’‐bis(2,6‐dimethylphenyl)oxalamide was discovered as a powerful ligand for Cu‐catalyzed cross‐coupling of aryl halides with hydrazine hydrate, leading to the formation of a variety of aryl hydrazines at 80 oC in water under the assistance of K3PO4 and 4 mol% cetyltrimethylammonium bromide from aryl bromides and aryl iodides. Good to excellent yields were observed in most cases.
Single‐Protein‐Specific Redox Targeting in Live Mammalian Cells and C. elegans
Authors: Van Hall‐Beauvais Alexandra , Zhao Yi , Urul Daniel A. , Long Marcus J. C. , Aye Yimon 
Published: August 2018

AbstractT‐REX (targetable reactive electrophiles and oxidants) enables electrophile targeting in living systems with high spatiotemporal precision and at single‐protein‐target resolution. T‐REX allows functional consequences of individual electrophile signaling events to be directly linked to on‐target modifications. T‐REX is accomplished by expressing a HaloTagged protein of interest (POI) and introducing a Halo‐targetable bioinert photocaged precursor to a reactive electrophilic signal (RES). Light exposure releases the unfettered RES on demand, enabling precision modification of the POI due to proximity. Using alkyne‐functionalized 4‐hydroxynonenal (HNE) as a representative RES, this protocol delineates optimized strategies to (1) execute T‐REX in live human cells and C. elegans, (2) quantitate the POI's RES‐sensitivity by either azido‐fluorescent‐dye conjugation or (3) enrich using biotin‐azide/streptavidin pulldown procedure in both model systems, and (4) identify the site of RES‐labeling on the POI using proteomics. Built‐in T‐REX controls that allow users to directly confirm on‐target/on‐site specificity of RES‐sensing are also described. © 2018 by John Wiley & Sons, Inc.
Deuterium Rotating Frame NMR Relaxation Measurements in the Solid State under Static Conditions for Quantification of Dynamics
Authors: Vugmeyster Liliya , Ostrovsky Dmitry 
Published: August 2018

AbstractThe feasibility of static deuterium rotating frame NMR relaxation measurements for characterization of slow timescale motions in powder systems is demonstrated. Using a model compound dimethyl sulfone‐d6, we show that these measurements yield conformational exchange rates and activation energy values in accordance with results obtained with other techniques. Furthermore, we demonstrate that the full Liouvillian approach as opposed to the Redfield approximation is necessary to analyze the experimental data.
Effectiveness and Limitations of Computational Chemistry and Mass Spectrometry in the Rational Design of Target‐specific Shift Reagents for Ion Mobility Spectrometry
Authors: Kune Christopher , Haler Jean R. N. , Far Johann , De Pauw Edwin 
Published: August 2018

AbstractIon mobility spectrometry (IMS) is a gas‐phase separation technique based on ion mobility differences in an electric field. It is largely used for the detection of specific ions such as small molecule explosives. IMS detection system includes the use of e. g. a Faraday cupor mass spectrometry (MS). The presence of interfering ion signals in standalone IMS may lead to the detection of false positives or negatives due to e. g. lacking resolving power. In this case, selective mobility shifts obtained using shift reagents (SR), i. e. ligands complexing a specific target, can bring help. The effectiveness of an SR strategy relies on the SR‐target ion selectivity. The crucial step lies in the SR design. The aim of this paper is to present an efficient interplay of experimental ion mobility mass spectrometry (IMMS) and predictive computational chemistry using various levels of computational efforts for rationally designing target‐specific SR. Mass spectrometry is used to evaluate the efficiency of the SR selectivity with identification and semi‐quantification of free and complexed ions. Minimal computational efforts allow the design of the SR, predicting the SR‐target ion relative stabilities, and predicting the ion mobility shifts. We demonstrate our approach using crown ethers and β‐cyclodextrin to selectively shift interfering perchlorate, amino acids and diaminonaphthalene isomers. We also release the software ParsIMoS for the straightforward use of ion mobility calculator IMoS.
The Role of Non‐Reactive Binding Sites in the AlVO4++CO/AlVO3++N2O Catalytic Cycle
Authors: Sweeny Brendan C. , Ard Shaun G. , Shuman Nicholas S. , Viggiano Albert A. 
Published: August 2018

AbstractThe mechanisms involved in catalytic oxidation of CO by N2O promoted by the AlVO3+ and AlVO4+ ions are evaluated using temperature‐dependent rate constants and statistical modeling. Reactions were studied from 300–600 K using a selected ion flow tube (SIFT) apparatus, and the data compared to statistical modeling of proposed mechanisms previously identified by density functional theory (DFT) calculations. Reduction of N2O by AlVO3+ was found to take place only by complexation to the Al site; however, attack on the V site also occurred and led to stable association complexes, reducing the overall efficiency of the reaction. As the AlVO3+(N2O) complex resulted from approach on the V site, it did not block the reactive Al site and was observed to further react with N2O to form AlVO4+(N2O). The oxidation of CO by AlVO4+ was found to proceed solely by activation on the Al−O site; however, isomerization of complexes formed with CO initially complexed to the V site were found to add to the reactivity, especially at lower temperatures.
The efficacy of narrative exposure therapy in a sample of Iranian women exposed to ongoing intimate partner violence—A randomized controlled trial
Authors: Orang Tahereh , Ayoughi Sarah , Moran James K. , Ghaffari Hakimeh , Mostafavi Saeedeh , Rasoulian Maryam , Elbert Thomas 
Published: August 2018

AbstractObjectiveThe mental health needs of women affected by intimate partner violence (IPV) and living under continuous domestic violence are currently not well understood. The present study investigates the feasibility and efficacy of narrative exposure therapy (NET), compared with commonly used counselling (treatment‐as‐usual, TAU), in a group of currently IPV‐affected women in Tehran, Iran.MethodForty‐five IPV‐affected women with a diagnosis of post‐traumatic stress disorder (PTSD) were randomized to 10 to 12 sessions of either NET (n = 24) or TAU (n = 21). Primary outcome measures, including PTSD, depression, and perceived stress symptoms, were examined at pretreatment and 3‐ and 6‐month follow‐ups. IPV experiences, general lifetime traumatic events, childhood adversities, borderline symptoms, and daily functioning impairment were also inspected.ResultsNET participants showed a significantly greater symptom reduction in comparison with the TAU group in PTSD, depression, and perceived stress at both follow‐ups. Improvement in daily functioning and reduction of IPV experiences and borderline symptoms at 3‐ and 6‐month follow‐ups were pronounced but not significantly different between the two treatment groups.ConclusionIPV‐affected women living under continuous threat and violence would benefit from trauma‐focused interventions such as NET.
Dental fear and anxiety in Estonian and Vietnamese schoolchildren: A comparative study of two populations
Authors: Nguyen Minh Son , Nguyen Thuy Trang , Nguyen Bui Bao Tien , Saag Mare , Olak Jana 
Published: August 2018

AbstractDental fear and anxiety (DFA) has the impact on the development of dental caries. Ethnic background and oral health care system may contribute to DFA model. The aim of the study was to compare DFA in relation to dental health between Estonian and Vietnamese schoolchildren and to determine DFA cutoff point for schoolchildren of two countries. The sample comprised 900 schoolchildren (344 from Estonia and 556 from Vietnam). DFA was measured by using 11 fear items of the modified Dental Subscale of the Children's Fear Survey Schedule (CFSS‐DS). Dental health was recorded by using the dental caries experience index of mixed dentition (dmft/DMFT). Results showed that the mean score of dmft/DMFT in Estonian and Vietnamese schoolchildren was 5.2 ± 3.1 and 4.1 ± 3.2, respectively. The mean score of 11‐item CFSS‐DS of Vietnamese schoolchildren (20.8 ± 9.1) was significantly higher compared with Estonian schoolchildren (15.4 ± 4.4, p < 0.001). The DFA cutoff point of 11‐item CFSS‐DS in Estonian schoolchildren was 17.5, whereas in Vietnamese, it was 24.5. The lower ranking of DFA was significantly associated with Estonian schoolchildren who had more FT (p < 0.001). In conclusion, the level of DFA of schoolchildren was different in Estonia and Vietnam. Vietnamese schoolchildren had higher DFA scores and cutoff point of the modified CFSS‐DS than Estonian schoolchildren. The obtained results suggest that DFA in schoolchildren can be related to oral health care system of each country.
The impact of water information disclosure on the cost of capital: An empirical study of China's capital market
Authors: Zhou Zhifang , Zhou Hong , Zeng Huixiang , Chen Xiaohong 
Published: August 2018

AbstractThis study seeks to understand the underlying relationship between water information disclosure and the cost of capital in Chinese high‐water risk firms. With continuous strengthening of the Chinese Government's water regulation policy, water resources have begun to affect the sustainable development of enterprises. Many stakeholders have begun to pay attention to a series of water resources issues that companies face. As an important means of transmitting signals between enterprises and capital markets, water information disclosure can help enterprises achieve more favourable views of stakeholders. Using a sample of 334 listed companies in the Chinese high‐water sensitivity industry from 2010 to 2015, this paper examines the influence of these firms' water information disclosure on the cost of capital, and analyses the function mechanism of political connection on the relationship between water information disclosure and enterprise capital cost by using a panel regression model.
Low‐power and wide‐band delay‐locked loop with switching delay line
Authors: Rezaeian Adel , Ardeshir Gholamreza , Gholami Mohammad 
Published: August 2018

SummaryA low‐power and wide‐band delay‐locked loop (DLL) is presented. Switching the delay line is used to enhance the input frequency range of the DLL. First delay line with short delay times is designed for high frequencies, and second delay line with long delay times is designed for low frequencies. Also, a switching circuit is used to control the delay lines. Proposed delay lines give delay range 0.5 to 34 nanoseconds in which DLL can operate input frequency range of 30 MHz to 2 GHz. This DLL has been simulated in 0.18‐μm CMOS technology. The simulated root‐mean‐square and peak‐to‐peak jitters are 3.12 and 11.03 picoseconds at 2 GHz, respectively. The power dissipation at 2 GHz is 3.24 mW for a supply voltage of 1.8 V.
Can light‐based approaches overcome antimicrobial resistance?
Authors: Hamblin Michael R. , Abrahamse Heidi 
Published: August 2018

AbstractThe relentless rise of antibiotic resistance is considered one of the most serious problems facing mankind. This mini‐review will cover three cutting‐edge approaches that use light‐based techniques to kill antibiotic‐resistant microbial species, and treat localized infections. First, we will discuss antimicrobial photodynamic inactivation using rationally designed photosensitizes combined with visible light, with the added possibility of strong potentiation by inorganic salts such as potassium iodide. Second, the use of blue and violet light alone that activates endogenous photoactive porphyrins within the microbial cells. Third, it is used for “safe UVC” at wavelengths between 200 nm and 230 nm that can kill microbial cells without damaging host mammalian cells. We have gained evidence that all these approaches can kill multidrug resistant bacteria in vitro, and they do not induce themselves any resistance, and moreover can treat animal models of localized infections caused by resistant species that can be monitored by noninvasive bioluminescence imaging. Light‐based antimicrobial approaches are becoming a growing translational part of anti‐infective treatments in the current age of resistance.
Tropical dung beetle morphological traits predict functional traits and show intraspecific differences across land uses
Authors: Raine Elizabeth H. , Gray Claudia L. , Mann Darren J. , Slade Eleanor M. 
Published: August 2018

AbstractFunctional traits and functional diversity measures are increasingly being used to examine land use effects on biodiversity and community assembly rules. Morphological traits are often used directly as functional traits. However, behavioral characteristics are more difficult to measure. Establishing methods to derive behavioral traits from morphological measurements is necessary to facilitate their inclusion in functional diversity analyses. We collected morphometric data from over 1,700 individuals of 12 species of dung beetle to establish whether morphological measurements can be used as predictors of behavioral traits. We also compared morphology among individuals collected from different land uses (primary forest, logged forest, and oil palm plantation) to identify whether intraspecific differences in morphology vary among land use types. We show that leg and eye measurements can be used to predict dung beetle nesting behavior and period of activity and we used this information to confirm the previously unresolved nesting behavior for Synapsis ritsemae. We found intraspecific differences in morphological traits across different land use types. Phenotypic plasticity was found for traits associated with dispersal (wing aspect ratio and wing loading) and reproductive capacity (abdomen size). The ability to predict behavioral functional traits from morphology is useful where the behavior of individuals cannot be directly observed, especially in tropical environments where the ecology of many species is poorly understood. In addition, we provide evidence that land use change can cause phenotypic plasticity in tropical dung beetle species. Our results reinforce recent calls for intraspecific variation in traits to receive more attention within community ecology.