bluuebunny/crossref_metadata_2025_split huggingface dataset:
Randomized clinical trial of 270° posterior versus 180° anterior partial laparoscopic fundoplication for gastro-oesophageal reflux disease
Authors: Roks D J , Koetje J H , Oor J E , Broeders J A , Nieuwenhuijs V B , Hazebroek E J 
Published: March 2017

Abstract

Background
Partial fundoplications provide similar reflux control with fewer post-fundoplication symptoms compared with Nissen fundoplication for gastro-oesophageal reflux disease (GORD). The best choice of procedure for partial fundoplication remains unclear. The aim of this study was to compare the outcome of two different types of partial fundoplication for GORD.

Methods
A double-blind RCT was conducted between 2012 and 2015 in two hospitals specializing in antireflux surgery. Patients were randomized to undergo either a laparoscopic 270° posterior fundoplication (Toupet) or a laparoscopic 180° anterior fundoplication. The primary outcome was postoperative dysphagia at 12 months, measured by the Dakkak score. Subjective outcome was analysed at 1, 3, 6 and 12 months after surgery. Objective reflux control was assessed before and 6 months after surgery.

Results
Ninety-four patients were randomized to laparoscopic Toupet or laparoscopic 180° anterior fundoplication (47 in each group). At 12 months, 85 patients (90 per cent) were available for follow-up. Objective scores were available for 76 (81 per cent). Postoperative Dakkak dysphagia score at 12 months was similar in the two groups (mean 5·9 for Toupet versus 6·4 for anterior fundoplication; P = 0·773). Subjective outcome at 12 months demonstrated no significant differences in control of reflux or post-fundoplication symptoms. Overall satisfaction and willingness to undergo surgery did not differ between the groups. Postoperative endoscopy and 24-h pH monitoring showed no significant differences in mean oesophageal acid exposure time or recurrent pathological oesophageal acid exposure.

Conclusion
Both types of partial fundoplication provided similar control of GORD at 12 months, with no difference in post-fundoplication symptoms. Registration number: NTR5702 (www.trialregister.nl).
Exploring protein structure and dynamics through a project‐oriented biochemistry laboratory module
Authors: Lipchock James M. , Ginther Patrick S. , Douglas Bonnie B. , Bird Kelly E. , Patrick Loria J. 
Published: March 2017

AbstractHere, we present a 10‐week project‐oriented laboratory module designed to provide a course‐based undergraduate research experience in biochemistry that emphasizes the importance of biomolecular structure and dynamics in enzyme function. This module explores the impact of mutagenesis on an important active site loop for a biomedically‐relevant human enzyme, protein tyrosine phosphatase 1B (PTP1B). Over the course of the semester students guide their own mutant of PTP1B from conception to characterization in a cost‐effective manner and gain exposure to fundamental techniques in biochemistry, including site‐directed DNA mutagenesis, bacterial recombinant protein expression, affinity column purification, protein quantitation, SDS‐PAGE, and enzyme kinetics. This project‐based approach allows an instructor to simulate a research setting and prepare students for productive research beyond the classroom. Potential modifications to expand or contract this module are also provided. © 2017 by The International Union of Biochemistry and Molecular Biology, 45(5):403–410, 2017.
Definition and Assessment of Disability in Mental Disorders under the Perspective of the International Classification of Functioning Disability and Health (ICF)
Authors: Linden Michael 
Published: March 2017

AbstractThis article provides an overview of definitions and assessment instruments of disability, an important topic in the diagnosis and treatment of chronic illnesses, and in expert appraisals in social and forensic medicine. Health problems are manifested not only in symptoms, but also regularly in impairment or disability in everyday life, which is especially true for mental disorders. According to the International Classification of Functioning, Disability and Health (ICF) of the World Health Organization, disability can be understood as chronic suffering from symptoms of illness, or limitations of executing capacities, or inability to participate in selected areas of life. Operationally, disability can be defined as “capacity limitations which hinder the ability to execute needed activities and thereby participation in a given environment”. This capacity–context–interaction model shows that there is no general disability but only context‐related disability, which has manifold consequences for diagnosis and care. Copyright © 2017 John Wiley & Sons, Ltd.
“This is an EU crisis requiring an EU solution”: Nation and transnational talk in negotiating warrants for further inclusion of refugees
Authors: Sambaraju Rahul , McVittie Chris , Nolan Philip 
Published: March 2017

AbstractDiscursive social psychological research shows the centrality of treating arrival nations as unitary entities that are incompatible for nonnation others (immigrants, asylum seekers, and refugees) in legitimately warranting their exclusion. We extend these findings for the current Special Issue and for broader literature in examining inclusion issues in the European Union (EU) in the ongoing context of the “refugee crisis.” We offer a discursive analysis of transcribed talk in the Dáil Éireaan (Irish Parliament) for the year 2015 when issues of migration and refugees were prominent. Analysis shows that Deputies treat the adequacy of ongoing inclusion efforts as a concern. This was worked up through foregrounding possibilities for Ireland to take up inclusive efforts and managed through avowals of commitment to inclusion juxtaposed to treating the issue and responses to it as EU concerns. Findings show that unique aspects and sovereignty of nations can be downplayed in negotiating warrants for inclusion. Alongside this, in specific contexts and settings transnational collectives, such as the EU, can be treated as stand‐ins for nations and used to negotiate inclusion of nonnation others. These are discussed in relation to implications for inclusion advocacy.
The 5′‐AG5CC‐3′ Fragment from the Human CPEB3 Ribozyme Forms an Ultrastable Parallel RNA G‐Quadruplex
Authors: Kulikov Katharina , Nozinovic Senada , Kath‐Schorr Stephanie 
Published: March 2017

AbstractAn unusually thermostable G‐quadruplex is formed by a sequence fragment of a naturally occurring ribozyme, the human CPEB3 ribozyme. Strong evidence is provided for the formation of a uniquely stable intermolecular G‐quadruplex structure consisting of five tetrad layers, by using CD spectroscopy, UV melting curves, 2D NMR spectroscopy, and gel shift analysis. The cationic porphyrin TMPyP4 destabilizes the complex.
Aggressive lymphoma presenting as dysphagia: A rare cause of dysphagia
Authors: Castresana Daniel , Bansal Pranshu , Vasef Mohammed A. , Kapoor Vidit , Leone Christopher , Quintana Dulcinea 
Published: March 2017

Key Clinical MessageDiffuse large B‐cell lymphoma (DLBCL) can involve the esophagus from local spread, distant metastasis and very rarely can also be the primary site. Once DLBCL is diagnosed, caution should be exercised in further evaluation for local treatments of sites like adnexal masses as was seen in this case; sometimes it is DLBCL at atypical sites.
Core–Shell Zeolite Y@γ‐Al2O3 Nanorod Composites: Optimized Fluid Catalytic Cracking Catalyst Assembly for Processing Heavy Oil
Authors: Jiao Wenqian , Wu Xuezhong , Li Gang , Xue Teng , Wang Yimeng , Tang Yi 
Published: March 2017

AbstractCompositions, structures, and distributions of the active phases in fluid catalytic cracking (FCC) catalysts have an essentially important impact on their porosities, acidities, and thus cracking capabilities for processing heavy oil fractions. Here, we report a facile approach for fabrication of core–shell zeolite Y@γ‐Al2O3 nanorod composites by controlling the attachment of boehmite nanorods on the external surface of zeolite crystals, and thus regulating the dispersion and combination of the active alumina matrix on zeolite components in the FCC catalyst. The synthesized discrete boehmite nanorods possess a large quantity of positive charges and can directly electrostatically interact with the negative surface of zeolite crystals, leading to the formation of core–shell zeolite Y@γ‐Al2O3 nanorod composites (nY@Al2O3). The optimized 4Y@Al2O3 composite (Y/γ‐Al2O3 weight ratio of 4) with zeolite crystals fully embedded by alumina nanorods shows enhanced textural properties, acidity accessibilities, and improved cracking ability of 1,3,5‐triisopropyl benzene. Taking it as the main active component, the produced FCC catalyst shows better contaminant resistant ability and especially higher gasoline yield in the cracking of heavy oil, which could potentially bring practical economic profits for the oil‐refining industry.
Direct Solid Lewis Acid Catalyzed Wood Liquefaction into Lactic Acid: Kinetic Evidences that Wood Pretreatment Might Not be a Prerequisite
Authors: Swesi Youssef , Nguyen Chuc , Ha Vu Thi Thu , Rataboul Franck , Eternot Marion , Fongarland Pascal , Essayem Nadine 
Published: March 2017

AbstractThe objective of the present work was to determine if wood sawdust can be used instead of isolated cellulose in the general solid‐acid‐catalyzed production of chemicals. The kinetics of model cellulose and pine‐wood sawdust liquefaction into lactic acid were determined in the presence of a solid Lewis acid, ZrW. The catalytic hydrolysis of pine wood was performed at 190 °C in a large‐scale batch reactor (2.5 L). Similar kinetic curves of lactic formation were obtained for cellulose and wood as substrates. Moreover, the initial lactic acid production rate of pine‐wood sawdust was higher than that of model cellulose, proving that, in spite of the presence of lignin/hemicellulose, the catalyst drives the transformation towards lactic acid formation. However, our results give also evidence of solid‐catalyst deactivation for both cellulose and wood substrates. This result indicates that if wood pretreatment can be bypassed, the bottleneck will be the solid‐catalyst regeneration and recycling.
Supramolecular Covalence in Bifurcated Chalcogen Bonding
Authors: Bora Pankaj Lochan , Novák Martin , Novotný Jan , Foroutan‐Nejad Cina , Marek Radek 
Published: March 2017

AbstractSupramolecular interactions are generally classified as noncovalent. However, recent studies have demonstrated that many of these interactions are stabilized by a significant covalent component. Herein, for systems of the general structure [MX6]2−:YX2(M=Se or Pt; Y=S, Se, or Te; X=F, Cl, Br, I), featuring bifurcated chalcogen bonding, it is shown that, although electrostatic parameters are useful for estimating the long‐range electrostatic component of the interaction, they fail to predict the correct order of binding energies in a series of compounds. Instead, the Lewis basicity of the individual substituents X on the chalcogen atom governs the trends in the binding energies through fine‐tuning the covalent character of the chalcogen bond. The effects of substituents on the binding energy and supramolecular electron sharing are consistently identified by an arsenal of theoretical methods, ranging from approaches based on the quantum chemical topology to analytical tools based on the localized molecular orbitals. The chalcogen bonding investigated herein is driven by orbital interactions with significant electron sharing; this can be designated as supramolecular covalence.
Improved Infrared Spectra Prediction by DFT from a New Experimental Database
Authors: Katari Madanakrishna , Nicol Edith , Steinmetz Vincent , van der Rest Guillaume , Carmichael Duncan , Frison Gilles 
Published: March 2017

AbstractThis work aims to improve the computation of infrared spectra of gas‐phase cations using DFT methods. Experimental infrared multiple photon dissociation (IRMPD) spectra for ten Zn and Ru organometallic complexes have been used to provide reference data for 64 vibrational modes in the 900–2000 cm−1 range. The accuracy of the IR vibrational frequencies predicted for these bands has been assessed over five DFT functionals and three basis sets. The functionals include the popular B3LYP and M06‐2X hybrids and the range‐separated hybrids (RSH) CAM‐B3LYP, LC‐BLYP, and ωB97X‐D. B3LYP gives the best mean absolute error (MAE) and root‐mean‐square error (RMSE) values of 7.1 and 9.6 cm−1, whilst the best RSH functional, ωB97X‐D, gives 12.8 and 16.6 cm−1, respectively. Using linear correlations instead of scaling factors improves the prediction accuracy significantly for all functionals. Experimental and computed spectra for a single complex can show significant differences even when the molecular structure is calculated correctly, and a means of defining confidence limits for any given computed structure is also provided.
Chemical synthesis of long RNAs with terminal 5′‐phosphate groups
Authors: Pradère Ugo , Halloy François , Hall Jonathan 
Published: March 2017

AbstractLong structured RNAs are useful biochemical and biological tools. They are usually prepared enzymatically, but this precludes their site‐specific modification with functional groups for chemical biology studies. One solution is to perform solid‐phase synthesis of multiple RNAs loaded with 5′‐terminal phosphate groups, so that RNAs can be concatenated using template ligation reactions. However, there are currently no readily available reagents suitable for the incorporation of the phosphate group into long RNAs by solid‐phase synthesis. Here we describe an easy‐to‐prepare phosphoramidite reagent suitable for the chemical introduction of 5′‐terminal phosphate groups into long RNAs. The phosphate is protected by a dinitrobenzhydryl group that serves as an essential lipophilic group for the separation of oligonucleotide by‐products. The phosphate is unmasked quantitatively by brief UV irradiation. We demonstrate the value of this reagent in the preparation of a library of long structured RNAs that are site‐specifically modified with functional groups.
Coordination of N2and Other Small Molecules to the Phosphorus Centre of RPW(CO)5: A Theoretical Study on the Janus Facets of the Stabilization/Activation Problem
Authors: Espinosa Ferao Arturo , Streubel Rainer 
Published: March 2017

AbstractBonding of neutral terminal phosphinidene tungsten(0) complexes stabilized by ligands bound to phosphorus (ligand‐to‐P) have been studied using a large testbed of predominantly N‐ligands. Most complexes (1 a–r,v–zand2 l) exhibit a pyramidal P centre with a formal single ligand‐to‐P bond order. Three ligand‐to‐P complexes (1 s–u) exhibit planar sp2‐hybridization of P and P,N bonds featuring double bond character. All derivatives with C‐ligands (1 v,x–z) exhibit a ligand‐to‐P bond strength intermediate between the P−N single and double bonded species. Remarkably, dinuclear complexes containing CN−(1 p,w), N3−(1 r) and N2(1–3 t) as bridging ligands between two phosphorus centres show intertwined terminal W(CO)5fragments. In particular, the case of N2bridging ligand (1–3 t) represents a noteworthy example of activation, displaying a weakened N,N bond and two sets of very strong P,N double bonds, the latter resembling the activation‐picture of dinitrogen by transition metal complexes. Bond dissociation energies (BDEs) of ligand‐to‐P bonds do not show any correlation with a range of bond strength descriptors, but display some meaningful, roughly linear variation with the ligand softness. Based on Haaland's definition of dative bonding, a reasonable linear correlation of BDE with dativity (d1) and the dative covalence energy (DCE1) was found. A moderate correlation was also obtained with the vertical ionization potential of the ligand (I(L)) as well as with the ligands HOMO energy.
An Optically Active Polymer for Broad‐Spectrum Enantiomeric Recognition of Chiral Acids
Authors: Yan Jijun , Kang Chuanqing , Bian Zheng , Ma Xiaoye , Jin Rizhe , Du Zhijun , Gao Lianxun 
Published: March 2017

AbstractRecognition of enantiomers of chiral acids by anion–π or lone pair–π interactions has not yet been investigated but is a significant and attractive challenge. This study reports an optically active polymer‐based supramolecular system with capabilities of discriminating enantiomers of various chiral acids. The polymer featuring alternate π‐acidic naphthalenediimides (NDIs) and methyl l‐phenylalaninates in the backbone exhibits an unprecedented slow self‐assembly process that is susceptible to perturbation by various chiral acids. Thus, the combination of anion–π or lone pair–π interactions and sensitivity of the polymeric self‐assembly process to external chiral species endows the system with recognition capabilities. This is the first time that anion–π or lone pair–π interactions have been applied in the recognition of enantiomers of various chiral acids with a single system. The results shed light on new strategies for material design by integrating π‐acidic aromatic systems and chiral building blocks to afford relevant advanced functions.
Protection of Platinum‐Based Micromotors from Thiol Toxicity by Using Manganese Oxide
Authors: Minh Tam Do , Safdar Muhammad , Jänis Janne 
Published: March 2017

AbstractPlatinum‐based micromotors have shown many exciting applications when functionalized using gold–thiol chemistry. However, thiols are known to bind to the Pt surface, which can lead to serious deactivation of the catalyst. In this paper, it is demonstrated that MnO2can be used to protect Pt‐based micromotors prior to the thiol treatment, thus fully avoiding the catalyst poisoning. This approach will greatly facilitate the use of the functionalized Pt micromotors for which the thiol toxicity has been a limiting factor.
Metallapentalenofurans and Lactone‐Fused Metallapentalynes
Authors: Lu Zhengyu , Zhu Congqing , Cai Yuanting , Zhu Jun , Hua Yuhui , Chen Zhixin , Chen Jiangxi , Xia Haiping 
Published: March 2017

AbstractMetalla‐aromatics are attractive species because they exhibit the properties of both organometallics and aromatics. Reported metal‐bridged polycyclic aromatic complexes, as well as Möbius aromatic species, are still rare. Herein, we present the construction of two new metal‐bridged polycyclic aromatic frameworks, α‐metallapentalenofurans and lactone‐fused metallapentalynes, by the reactions of osmapentalyne with terminal aryl alkynes in the presence of H2O or HBF4/H2O, respectively. DFT calculations show that the α‐metallapentalenofurans possess rare planar Craig‐type Möbius aromaticity derived from the 11‐center‐12‐electron dπ–pπ π‐conjugation. This study offers a new route for the construction of polycyclic metalla‐aromatics as well as planar Möbius aromatic species.
Designer Metallic Acceptor‐Containing Halogen Bonds: General Strategies
Authors: Zhang Xinxing , Bowen Kit 
Published: March 2017

AbstractBeing electrostatic interactions in nature, hydrogen bonding (HB) and halogen bonding (XB) are considered to be two parallel worlds. In principle, all the applications that HB have could also be applied to XB. However, there has been no report on an anionic, metallic XB acceptor, but metal anions have been observed to be good HB acceptors. This missing mosaic piece of XB theory is because common metal anions are reactive for XB donors. In view of this, two strategies are proposed for designing metallic acceptor‐containing XB using ab initio calculations. The first one is to utilize a metal cluster anion with a high electron detachment energy, such as the superatom, Al13− as the XB acceptor. The second strategy is to design a ligand‐passivated/protected metal core that can maintain the negative charge; several exotic clusters, such as PtH5−, PtZnH5−, and PtMgH5−, are used as examples. Based on these two strategies, it is anticipated that more metallic acceptor‐containing XBs will be discovered.
Predictors and long‐term outcome of super‐responders to cardiac resynchronization therapy
Authors: Ghani Abdul , Delnoy Peter Paul H.M. , Adiyaman Ahmet , Ottervanger Jan Paul , Ramdat Misier Anand R. , Smit Jaap Jan J. , Elvan Arif 
Published: March 2017

BackgroundThe level of improvement in left ventricular ejection fraction (LVEF) in super‐responders to cardiac resynchronization therapy (CRT) is exceptional. However, the long‐term prognosis remains unknown in a large population.HypothesisWhether super‐responders haven good long‐term outcomes.MethodsWe registered 347 patients with primary CRT‐D indication. Super‐response was defined by LVEF >50% at follow‐up echocardiogram. Best‐subset regression analysis identified predictors of super‐response. Endpoints were major adverse cardiac events (MACE; eg, all‐cause mortality or heart failure hospitalization, cardiac death, and appropriate ICD therapy).ResultsFifty‐six (16%) patients with LVEF >50% were classified as super‐responders. Female sex (OR: 3.06, 95% CI: 1.54‐6.05), nonischemic etiology (OR: 2.70, 95% CI: 1.29‐5.68), higher LVEF at baseline (OR: 1.07, 95% CI: 1.02‐1.13), and wider QRS duration (OR: 1.17, 95% CI: 1.04‐1.32) were predictors of super‐response. Cumulative incidence of MACE at a median of 5.3 years was 18% in super‐responders, 22% in responders, and 51% in nonresponders (P < 0.001). None of super responders died from cardiac death, compared to 9% of responders and 25% of non‐responders (P < 0.001). None of super‐responders experienced appropriate ICD therapy, compared with 10% of responders and 21% of non‐responders (P < 0.001). In super‐responders, the adjusted hazard ratio was 0.37 (95% CI: 0.19‐0.73) for MACE and 0.44 (95% CI: 0.20‐0.95) for total mortality, compared with non‐responders.ConclusionsFemale sex, non‐ischemic etiology, higher baseline LVEF, and wider QRS duration were independently associated with super‐response. Super‐response was associated with persistent excellent prognosis regarding survival and appropriate ICD therapy during long‐term follow‐up.