bluuebunny/crossref_metadata_2025_split huggingface dataset:
2017 European League Against Rheumatism/American College of Rheumatology Classification Criteria for Adult and Juvenile Idiopathic Inflammatory Myopathies and Their Major Subgroups
Authors: Lundberg Ingrid E. , Tjärnlund Anna , Bottai Matteo , Werth Victoria P. , Pilkington Clarissa , de Visser Marianne , Alfredsson Lars , Amato Anthony A. , Barohn Richard J. , Liang Matthew H. , Singh Jasvinder A. , Aggarwal Rohit , Arnardottir Snjolaug , Chinoy Hector , Cooper Robert G. , Dankó Katalin , Dimachkie Mazen M. , Feldman Brian M. , Garcia‐De La Torre Ignacio , Gordon Patrick , Hayashi Taichi , Katz James D. , Kohsaka Hitoshi , Lachenbruch Peter A. , Lang Bianca A. , Li Yuhui , Oddis Chester V. , Olesinska Marzena , Reed Ann M. , Rutkowska‐Sak Lidia , Sanner Helga , Selva‐O'Callaghan Albert , Song Yeong‐Wook , Vencovsky Jiri , Ytterberg Steven R. , Miller Frederick W. , Rider Lisa G. ,   the International Myositis Classification Criteria Project Consortium, the Euromyositis Register, and the Juvenile Dermatomyositis Cohort Biomarker Study and Repository (UK and Ireland)
Published: October 2017

ObjectiveTo develop and validate new classification criteria for adult and juvenile idiopathic inflammatory myopathies (IIM) and their major subgroups.MethodsCandidate variables were assembled from published criteria and expert opinion using consensus methodology. Data were collected from 47 rheumatology, dermatology, neurology, and pediatric clinics worldwide. Several statistical methods were utilized to derive the classification criteria.ResultsBased on data from 976 IIM patients (74% adults; 26% children) and 624 non‐IIM patients with mimicking conditions (82% adults; 18% children), new criteria were derived. Each item is assigned a weighted score. The total score corresponds to a probability of having IIM. Subclassification is performed using a classification tree. A probability cutoff of 55%, corresponding to a score of 5.5 (6.7 with muscle biopsy) “probable IIM,” had best sensitivity/specificity (87%/82% without biopsies, 93%/88% with biopsies) and is recommended as a minimum to classify a patient as having IIM. A probability of ≥90%, corresponding to a score of ≥7.5 (≥8.7 with muscle biopsy), corresponds to “definite IIM.” A probability of <50%, corresponding to a score of <5.3 (<6.5 with muscle biopsy), rules out IIM, leaving a probability of ≥50–<55% as “possible IIM.”ConclusionThe European League Against Rheumatism/American College of Rheumatology (EULAR/ACR) classification criteria for IIM have been endorsed by international rheumatology, dermatology, neurology, and pediatric groups. They employ easily accessible and operationally defined elements, and have been partially validated. They allow classification of “definite,” “probable,” and “possible” IIM, in addition to the major subgroups of IIM, including juvenile IIM. They generally perform better than existing criteria.
Estimating multiple time‐fixed treatment effects using a semi‐Bayes semiparametric marginal structural Cox proportional hazards regression model
Authors: Cole Stephen R. , Edwards Jessie K. , Westreich Daniel , Lesko Catherine R. , Lau Bryan , Mugavero Michael J. , Mathews W. Christopher , Eron Joseph J. , Greenland Sander ,   for the CNICS Investigators
Published: October 2017

AbstractMarginal structural models for time‐fixed treatments fit using inverse‐probability weighted estimating equations are increasingly popular. Nonetheless, the resulting effect estimates are subject to finite‐sample bias when data are sparse, as is typical for large‐sample procedures. Here we propose a semi‐Bayes estimation approach which penalizes or shrinks the estimated model parameters to improve finite‐sample performance. This approach uses simple symmetric data‐augmentation priors. Limited simulation experiments indicate that the proposed approach reduces finite‐sample bias and improves confidence‐interval coverage when the true values lie within the central “hill” of the prior distribution. We illustrate the approach with data from a nonexperimental study of HIV treatments.
The polypeptide biophysics of proline/alanine‐rich sequences (PAS): Recombinant biopolymers with PEG‐like properties
Authors: Breibeck Joscha , Skerra Arne 
Published: October 2017

AbstractPAS polypeptides comprise long repetitive sequences of the small L‐amino acids proline, alanine and/or serine that were developed to expand the hydrodynamic volume of conjugated pharmaceuticals and prolong their plasma half‐life by retarding kidney filtration. Here, we have characterized the polymer properties both of the free polypeptides and in fusion with the biopharmaceutical IL‐1Ra. Data from size exclusion chromatography, dynamic light scattering, circular dichroism spectroscopy and quantification of hydrodynamic and polar properties demonstrate that the biosynthetic PAS polypeptides exhibit random coil behavior in aqueous solution astonishingly similar to the chemical polymer poly‐ethylene glycol (PEG). The solvent‐exposed PAS peptide groups, in the absence of secondary structure, account for strong hydrophilicity, with negligible contribution by the Ser side chains. Notably, PAS polypeptides exceed PEG of comparable molecular mass in hydrophilicity and hydrodynamic volume while exhibiting lower viscosity. Their uniform monodisperse composition as genetically encoded polymers and their biological nature, offering biodegradability, render PAS polypeptides a promising PEG mimetic for biopharmaceutical applications.
Probing the dynamics of restriction endonuclease NgoMIV‐DNA interaction by single‐molecule FRET
Authors: Tutkus Marijonas , Sasnauskas Giedrius , Rutkauskas Danielis 
Published: October 2017

AbstractMany type II restriction endonucleases require two copies of their recognition sequence for optimal activity. Concomitant binding of two DNA sites by such an enzyme produces a DNA loop. Here we exploit single‐molecule Förster resonance energy transfer (smFRET) of surface‐immobilized DNA fragments to study the dynamics of DNA looping induced by tetrameric endonuclease NgoMIV. We have employed a DNA fragment with two NgoMIV recognition sites and a FRET dye pair such that upon protein‐induced DNA looping the dyes are brought to close proximity resulting in a FRET signal. The dynamics of DNA‐NgoMIV interactions proved to be heterogeneous, with individual smFRET trajectories exhibiting broadly different average looped state durations. Distinct types of the dynamics were attributed to different types of DNA‐protein complexes, mediated either by one NgoMIV tetramer simultaneously bound to two specific sites (“slow” trajectories) or by semi‐specific interactions of two DNA‐bound NgoMIV tetramers (“fast” trajectories), as well as to conformational heterogeneity of individual NgoMIV molecules.
A “plug‐n‐play” modular metabolic system for the production of apocarotenoids
Authors: Zhang Congqiang , Chen Xixian , Lindley Nic D. , Too Heng‐Phon 
Published: October 2017

AbstractApocarotenoids, such as α‐, β‐ionone, and retinol, have high commercial values in the food and cosmetic industries. The demand for natural ingredients has been increasing dramatically in recent years. However, attempts to overproduce β‐ionone in microorganisms have been limited by the complexity of the biosynthetic pathway. Here, an Escherichia coli‐based modular system was developed to produce various apocarotenoids. Incorporation of enzyme engineering approaches (N‐terminal truncation and protein fusion) into modular metabolic engineering strategy significantly improved α‐ionone production from 0.5 mg/L to 30 mg/L in flasks, producing 480 mg/L of α‐ionone in fed‐batch fermentation. By modifying apocarotenoid genetic module, this platform strain was successfully re‐engineered to produce 32 mg/L and 500 mg/L of β‐ionone in flask and bioreactor, respectively (>80‐fold higher than previously reported). Similarly, 33 mg/L of retinoids was produced in flask by reconstructing apocarotenoid module, demonstrating the versatility of the “plug‐n‐play” modular system. Collectively, this study highlights the importance of the strategy of simultaneous modular pathway optimization and enzyme engineering to overproduce valuable chemicals in microbes.
Prognostic significance of postoperative pneumonia after curative resection for patients with gastric cancer
Authors: Tu Ru‐Hong , Lin Jian‐Xian , Li Ping , Xie Jian‐Wei , Wang Jia‐Bin , Lu Jun , Chen Qi‐Yue , Cao Long‐long , Lin Mi , Zheng Chao‐Hui , Huang Chang‐Ming 
Published: October 2017

AbstractFew studies have been designed to investigate the incidence of postoperative pneumonia after radical gastrectomy and its effect on prognosis of these patients. Incidences of postoperative pneumonia after radical gastrectomy in our department between January 1996 and December 2014 were summarized. Their effects on prognosis were retrospectively analyzed using survival curves and Cox regression. A total of 5237 patients were included in this study, 767 (14.4%) of them had complications, including 383 cases of postoperative pneumonia (7.2%). The 5‐year overall and disease‐specific survival of patients with postoperative pneumonia were both lower than those without this complication (P < 0.001). Stratified analysis demonstrated that this difference existed in all Stage I, II, and III patients (log‐rank, P < 0.05). Multivariate analysis revealed that age, neoadjuvant chemotherapy, tumor size, tumor stage, and postoperative pneumonia were independent risk factors for disease‐specific survival. Postoperative pneumonia after radical gastrectomy is an independent risk factor for prognosis of gastric cancer patients, especially in stage III.
Exploring the Substrate Scope of Baeyer–Villiger Monooxygenases with Branched Lactones as Entry towards Polyesters
Authors: Delgove Marie A. F. , Fürst Maximilian J. L. J. , Fraaije Marco W. , Bernaerts Katrien V. , De Wildeman Stefaan M. A. 
Published: October 2017

AbstractBaeyer–Villiger monooxygenases (BVMOs) are biocatalysts that are able to convert cyclic ketones into lactones by the insertion of oxygen. The aim of this study was to explore the substrate scope of several BVMOs with (biobased) cyclic ketones as precursors for the synthesis of branched polyesters. The product structure and the degree of conversion of several biotransformations were determined after conversions by using self‐sufficient BVMOs. Full regioselectivity towards the normal lactones of jasmatone and menthone was observed, whereas the oxidation of other substrates such as α,β‐thujone and 3,3,5‐trimethylcyclohexanone resulted in mixtures of regioisomers. This exploration of the substrate scope of both established and newly discovered BVMOs towards biobased ketones contributes to the development of branched polyesters from renewable resources.
Cancer and normal adipose‐derived mesenchymal stem cells (ASCs): Do they have differential effects on tumor and immune cells?
Authors: Razmkhah Mahboobeh , Mansourabadi Zahra , Mohtasebi Maryam Sadat , Talei Abdol‐Rasoul , Ghaderi Abbas 
Published: October 2017

AbstractAdipose‐derived mesenchymal stem cells (ASCs) are known to have immunomodulatory properties through soluble factors or by direct cell‐to‐cell contact. This study aimed to assess the expression of HLA‐G and IDO activity in breast cancer and normal ASCs and to see whether ASC is capable of modulating both tumor cells and immune system cells in vitro. ASCs were enzymatically isolated from 15 breast cancer patients and 10 normal individuals. Then they were cultured, and the impact of their conditioned media on the movement of the MDA‐MB‐231 breast cancer cell line was studied in wound healing scratch assay. Next, PBLs from the peripheral blood of normal individuals were separated and co‐cultured with breast cancer and normal ASCs. PBLs proliferation and apoptosis were assessed using CFSE labeling dye and annexin V/7AAD staining, respectively. IDO activity and HLA‐G protein expression in ASCs were examined using kynurenine assay and Western blotting, respectively. Tumor‐derived ASCs, especially those from higher stages of breast cancer, have stronger effects on the proliferation and movement of MDA‐MB‐231 cells than normal ASCs (P‐value < 0.05). Apoptosis in PBLs increased in the presence of ASCs compared to PBLs cultured alone (P‐value < 0.05). In contrast, necrosis of PBLs decreased in the presence of ASCs compared to apoptosis in these cells (P‐value < 0.001). Collectively, ASCs may have strategic effects on both tumor cells and cells of the immune system in the tumor microenvironment, resulting in tumor development, growth, and metastasis.
Evaluation of Consolidation Behavior by Combined Membrane Filtration and Stepped Cake Compression
Authors: Iritani Eiji , Katagiri Nobuyuki , Yoshida Tomotaka 
Published: October 2017

AbstractA method is proposed for determining the compression‐permeability (C‐P) data expressed as the dependences of the local specific cake resistance and local cake porosity on the solid compressive pressure from a combined membrane filtration and stepped cake compression test. Filtration employing a membrane with a high flow resistance, which provided the pressure dependence of the average specific cake resistance, was followed by step‐up compression, which gave cake porosities at several compressive pressures. On the basis of these data collected as the time variation of the dewatering volume, the compression‐permeability data of bentonite slurry were evaluated. Consolidation behaviors of the filter cake and semi‐solid material were accurately described on basis of the C‐P data.
Facile Preparation of Positively Charged and Solvent‐Resistant Cellulose Acetate/LSCF Nanofiltration Membranes
Authors: Han Runlin , Teng Da , Zhao Yaoli , Jian Xigao , Zhang Shouhai 
Published: October 2017

AbstractPositively charged nanofiltration membranes often exhibit excellent antibacterial and antifouling properties. Nanofiltration membranes with high solvent resistance also find special applications in industrial waste water separation. Cellulose acetate is used to prepare various separation membranes due to its comprehensive performance. LSCF (La0.6Sr0.4Co0.2Fe0.8O3), a kind of cathode and electrolyte material, shows good conductivity in water solution. The nanosized hydrophilic inorganic additive LSCF is added to the casting solution to improve the performance of cellulose acetate nanofiltration membranes. After reaction with glutaraldehyde and trichloro dihydroxypropyl trimethylammonium chloride (TTAC), the prepared membrane demonstrates positively charged characteristics and excellent solvent resistance.
Thin‐Film Nanocomposite Nanofiltration Membranes Incorporated with Graphene Oxide for Phosphorus Removal
Authors: Koo Chai Hoon , Lau Woei Jye , Lai Gwo Sung , Lai Soon Onn , Thiam Hui San , Ismail Ahmad Fauzi 
Published: October 2017

AbstractFor the first time, thin‐film nanocomposite (TFN) nanofiltration membranes incorporated with graphene oxide (GO) were synthesized and used to separate phosphorus from water sources of varying properties. Prior to phosphorus removal tests, two different TFN membranes and one control thin‐film composite (TFC) membrane were subject to standard characterization in order to determine pure water flux, salt rejection, surface hydrophilicity, pore size, and porosity. By incorporation of GO, the water flux of composite membranes could be significantly improved with minimum decrease in salt rejection, mainly due to improved surface hydrophilicity coupled with enlarged pore size and overall structural porosity. Especially the TFN‐1 membrane was found to perform better owing to its good combination of water flux and solute rejection, higher water flux, and comparable phosphorus rejection in comparison to the TFC membrane.
Periodic Trends in the Binding of a Phosphine‐Tethered Ketone Ligand to Fe, Co, Ni, and Cu
Authors: Verhoeven Dide G. A. , van Wiggen Maxime A. C. , Kwakernaak Joost , Lutz Martin , Klein Gebbink Robertus J. M. , Moret Marc‐Etienne 
Published: October 2017

Abstractπ‐Coordinating ligands are commonly found in intermediate structures in homogeneous catalysis, and are gaining interest as supporting ligands for the development of cooperative catalysts. Herein, we systematically investigate the binding of the ketone group, a strongly accepting π ligand, to mid‐to‐late metals of the first transition series. To this end, the coordination of 2,2′‐bis(diphenylphosphino)benzophenone (Phdpbp), which features a ketone moiety flanked by two strongly binding P‐donor groups, to Fe, Co, Ni, and Cu was explored. The ketone moiety does not bind to the metal in MII complexes, whereas MI complexes (Fe, Co, Ni) adopt an η2(C,O) coordination. A structural and computational investigation of periodic trends in this series was performed. These data suggest that the coordination of the ketone to MI can mostly be described by the resonance extremes of the Dewar–Chatt–Duncanson model, that is, the π complex and the metallaoxacycle extreme, with a possible minor contribution from a ketyl radical resonance structure in the case of the iron complex.
Amino Acid Coordinated Self‐Assembly
Authors: Zou Qianli , Yan Xuehai 
Published: October 2017

AbstractSelf‐assembly of highly important biomolecules, such as proteins and peptides, has attracted tremendous interest in supramolecular construction of functional materials. However, as proteins and peptides are often immunogenic and their structures are complex, there is a strong demand to use amino acids as simpler building blocks. Still, mimicking the sophisticated structures and functions of natural materials by self‐assembly of simpler and more basic units of biomolecules, such as amino acids, remains a formidable challenge. Inspired by metal‐ion‐associated crystallization of l‐cystine in the urinary system, amino acid coordinated self‐assembly is discussed as an original strategy for supramolecular construction of biomimetic materials. The resulting materials possess the features of uniform size, hierarchical architecture, and structural resemblance to biological structures. In addition, the self‐assembly process can readily be adapted to simultaneous integration of various functional modules, providing materials with promising properties for biomimetic and biomedical applications.
Mapping the Assembly of Metal–Organic Cages into Complex Coordination Networks
Authors: Yadav Ashok , Gupta Arvind K. , Steiner Alexander , Boomishankar Ramamoorthy 
Published: October 2017

AbstractStructural transformations of supramolecular assemblies play an important role in the synthesis of complex metal–organic materials. Nonetheless, often little is known of the assembly pathways that lead to the final product. This work describes the conversion of cubic metal–organic polyhedra to connected‐cage networks of varying topologies. The neutral cubic cage assembly of formula {Pd3[PO(NiPr)3]}8(PZDC)12 has been synthesized from {Pd3[(NiPr)3PO](OAc)2(OH)}2⋅2 (CH3)2SO and 2,5‐pyrazenedicarboxilic acid (PZDC‐2H). This 42‐component self‐assembly is the largest known among the neutral cages with PdII ions. The cage contains twenty‐four vacant carboxylate O‐sites at the PZDC ligands that are available for further coordination. Post‐assembly reactions of the cubic cage with FeII and ZnII ions produced cage‐connected networks of dia and qtz topologies, respectively. During these reactions, the discrete cubic cage transforms into a network of tetrahedral cages that are bridged by the 3D metal ions. The robustness of the [Pd3{[PO(NiPr)3}]3+ molecular building units made it possible to map the post‐assembly reactions in detail, which revealed a variety of intermediate 1D and 2D cage networks. Such step‐by‐step mapping of the transformation of discrete cages to cage‐connected frameworks is unprecedented in the chemistry of coordination driven assemblies.
α,α‐Alkylation‐Halogenation and Dihalogenation of Sulfoxonium Ylides. A Direct Preparation of Geminal Difunctionalized Ketones
Authors: Gallo Rafael D. C. , Ahmad Anees , Metzker Gustavo , Burtoloso Antonio C. B. 
Published: October 2017

AbstractA one‐pot alkylation–halogenation of ketosulfoxonium ylides in the presence of alkyl halides is described. The method furnishes several gem‐difunctionalized haloketones (an alkyl and F, Cl, Br, or I) in good yields. Replacing alkyl halides with a mixture of electrophilic halogen species and various halide anions led to gem‐dihalogenated ketones containing a combination of the same or two different halogens. Kinetic isotopic effects as well as reaction kinetic experiments give insight to the mechanism of these reactions.
Heterobimetallic Complexes Featuring Fe(CO)5 as a Ligand on Gold
Authors: Wang Guocang , Ponduru Tharun T. , Wang Qing , Zhao Lili , Frenking Gernot , Dias H. V. Rasika 
Published: October 2017

AbstractIron(0) pentacarbonyl complexes of gold(I), [Mes3PAu‐Fe(CO)5][SbF6] (1) and [(IPr*)Au‐Fe(CO)5][SbF6] (2) (Mes=2,4,6‐trimethylphenyl; IPr*=1,3‐bis(2,6‐bis(diphenylmethyl)‐4‐methylphenyl)imidazol‐2‐ylidene) have been synthesized using Mes3PAuCl and (IPr*)AuCl as the gold(I) precursor, AgSbF6 halide ion abstractor, and the Lewis base Fe(CO)5. The Au−Fe bond lengths of these metal‐only Lewis pair complexes are significantly shorter than the sum of the experimentally derived covalent radii of Au and Fe. The v̄(CO) bands of the molecules show a notable blueshift relative to those observed for free Fe(CO)5, indicating a substantial reduction in Fe→CO backbonding upon its coordination to gold(I) with either Mes3P or IPr* supporting ligands (L). The analysis of the electronic structure with quantum chemical method suggests that the Au−Fe bond consists mainly of [LAu]+←Fe(CO)5 σ‐donation and weaker [LAu]+→Fe(CO)5 π‐backdonation. The donor strength of Fe(CO)5 is similar to that of CO.
Free‐Standing Metal Oxide Nanoparticle Superlattices Constructed with Engineered Protein Containers Show in Crystallo Catalytic Activity
Authors: Lach Marcel , Künzle Matthias , Beck Tobias 
Published: October 2017

AbstractThe construction of defined nanostructured catalysts is challenging. In previous work, we established a strategy to assemble binary nanoparticle superlattices with oppositely charged protein containers as building blocks. Here, we show that these free‐standing nanoparticle superlattices are catalytically active. The metal oxide nanoparticles inside the protein scaffold are accessible for a range of substrates and show oxidase‐like and peroxidase‐like activity. The stable superlattices can be reused for several reaction cycles. In contrast to bulk nanoparticle‐based catalysts, which are prone to aggregation and difficult to characterize, nanoparticle superlattices based on engineered protein containers provide an innovative synthetic route to structurally defined heterogeneous catalysts with control over nanoparticle size and composition.