bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of eculizumab treatment on paroxysmal nocturnal hemoglobinuria: a treatment versus no‐treatment study
Authors: Loschi Michael , Porcher Raphael , Barraco Fiorenza , Terriou Louis , Mohty Mohamad , de Guibert Sophie , Mahe Beatrice , Lemal Richard , Dumas Pierre‐Yves , Etienne Gabriel , Jardin Fabrice , Royer Bruno , Bordessoule Dominique , Rohrlich Pierre Simon , Fornecker Luc Mathieu , Salanoubat Celia , Maury Sebastien , Cahn Jean‐Yves , Vincent Laure , Sene Thomas , Rigaudeau Sophie , Nguyen Stephanie , Lepretre Anne‐Claire , Mary Jean‐Yves , Corront Bernadette , Socie Gerard , Peffault de Latour Regis
Published: December 2015

Intravascular hemolysis in Paroxysmal nocturnal hemoglobinuria (PNH) can effectively be controlled with eculizumab, a humanized monoclonal antibody that binds complement protein C5. We report here a retrospective comparison study between 123 patients treated with eculizumab in the recent period (>2005) and 191 historical controls (from the French registry). Overall survival (OS) at 6 years was 92% (95%CI, 87 to 98) in the eculizumab cohort versus 80% (95%CI 70 to 91) in historical controls diagnosed after 1985 (HR 0.38 [0.15 to 0.94],P = 0.037). There were significantly fewer thrombotic events (TEs) in the group of patients treated with eculizumab (4% [1–10]) as compared to the historical cohort (27% [20–34]). However, we found that TEs may still occur after the initiation of eculizumab treatment and that previous TEs still have a negative impact on survival. Evolutions to myelodysplastic syndrome or acute leukemia were similar in both cohorts. There was less evolution to aplastic anemia in the treatment group. In multivariate analysis, absence of a previous TE and treatment with eculizumab were associated with a better OS. Treatment with eculizumab improves overall survival in classic PNH patients without increasing the risk of clonal evolution. Am. J. Hematol. 91:366–370, 2016. © 2016 Wiley Periodicals, Inc.
Sprengel anomaly in deletion 22q11.2 (DiGeorge/Velo–Cardio–Facial) syndrome
Authors: Radio Francesca Clementina , Digilio Maria Cristina , Capolino Rossella , Dentici Maria Lisa , Unolt Marta , Alesi Viola , Novelli Antonio , Marino Bruno , Dallapiccola Bruno
Published: December 2015

Sprengel anomaly (SA) is a rare skeletal defect characterized by uni‐ or bi‐lateral elevation of the scapula. This anomaly is often isolated, although it can occur in association with other defects, including cervical spine malformations, cleft palate, and facial anomalies. Neural crest migration anomalies have been involved in the etiology of SA. Since the same embryological pathway accounts for some of the clinical features of deletion 22q11.2 syndrome (del22q11.2; DiGeorge/Velo–Cardio–Facial syndrome), we investigated the occurrence of SA in a consecutive series of 235 del22q11.2 patients aged more than 2 years, undergoing a complete clinical and orthopedic assessment of the dorsal and thoracic skeleton. In the present series, two patients were diagnosed with true SA. Present results and published reports suggest that scapular involvement including SA occurs in 1–2% of del22q11.2 individuals. Accordingly, this anomaly should be investigated as one of the possible skeletal findings of del22q11.2 syndrome, while this diagnosis should be excluded in patients presenting with SA associated with other defects. © 2015 Wiley Periodicals, Inc.
Coronary artery ectasia in Noonan syndrome: Report of an individual with SOS1 mutation and literature review
Authors: Calcagni Giulio , Baban Anwar , De Luca Enrica , Leonardi Benedetta , Pongiglione Giacomo , Digilio Maria Cristina
Published: December 2015

Noonan syndrome (NS) is the second most frequent hereditary syndrome with cardiac involvement. Pulmonary valve stenosis and hypertrophic cardiomyopathy are the most prevalent cardiovascular abnormalities. We report on a 14‐year‐old girl with NS due to SOS1 mutation with pulmonary stenosis and idiopathic coronary ectasia. To the best of our knowledge, this is the first report describing coronary ectasia in a patient with NS secondary to a SOS1 mutation. We include a literature review of this rare association. © 2015 Wiley Periodicals, Inc.
A Case Study of the Likes and Dislikes of DNA and RNA in Self‐Assembly
Authors: Zuo Hua , Wu Siyu , Li Mo , Li Yulin , Jiang Wen , Mao Chengde
Published: December 2015

Programmed self‐assembly of nucleic acids (DNA and RNA) is an active research area as it promises a general approach for nanoconstruction. Whereas DNA self‐assembly has been extensively studied, RNA self‐assembly lags much behind. One strategy to boost RNA self‐assembly is to adapt the methods of DNA self‐assembly for RNA self‐assembly because of the chemical and structural similarities of DNA and RNA. However, these two types of molecules are still significantly different. To enable the rational design of RNA self‐assembly, a thorough examination of their likes and dislikes in programmed self‐assembly is needed. The current work begins to address this task. It was found that similar, two‐stranded motifs of RNA and DNA lead to similar, but clearly different nanostructures.
Phosphorus‐Doped Carbon Nitride Tubes with a Layered Micro‐nanostructure for Enhanced Visible‐Light Photocatalytic Hydrogen Evolution
Authors: Guo Shien , Deng Zhaopeng , Li Mingxia , Jiang Baojiang , Tian Chungui , Pan Qingjiang , Fu Honggang
Published: December 2015

Phosphorus‐doped hexagonal tubular carbon nitride (P‐TCN) with the layered stacking structure was obtained from a hexagonal rod‐like single crystal supramolecular precursor (monoclinic, C2/m). The production process of P‐TCN involves two steps: 1) the precursor was prepared by self‐assembly of melamine with cyanuric acid from in situ hydrolysis of melamine under phosphorous acid‐assisted hydrothermal conditions; 2) the pyrolysis was initiated at the center of precursor under heating, thus giving the hexagonal P‐TCN. The tubular structure favors the enhancement of light scattering and active sites. Meanwhile, the introduction of phosphorus leads to a narrow band gap and increased electric conductivity. Thus, the P‐TCN exhibited a high hydrogen evolution rate of 67 μmol h−1 (0.1 g catalyst, λ >420 nm) in the presence of sacrificial agents, and an apparent quantum efficiency of 5.68 % at 420 nm, which is better than most of bulk g‐C3N4 reported.
Solution‐Liquid‐Solid Synthesis of Hexagonal Nickel Selenide Nanowire Arrays with a Nonmetal Catalyst
Authors: Xu Kun , Ding Hui , Jia Kaicheng , Lu Xiuli , Chen Pengzuo , Zhou Tianpei , Cheng Han , Liu Si , Wu Changzheng , Xie Yi
Published: December 2015

Inorganic nanowire arrays hold great promise for next‐generation energy storage and conversion devices. Understanding the growth mechanism of nanowire arrays is of considerable interest for expanding the range of applications. Herein, we report the solution‐liquid‐solid (SLS) synthesis of hexagonal nickel selenide nanowires by using a nonmetal molecular crystal (selenium) as catalyst, which successfully brings SLS into the realm of conventional low‐temperature solution synthesis. As a proof‐of‐concept application, the NiSe nanowire array was used as a catalyst for electrochemical water oxidation. This approach offers a new possibility to design arrays of inorganic nanowires.
Ein DNA‐Fulleren‐Konjugat als Templat für supramolekulare Chromophorstapel: Auf dem Weg zu DNA‐basierten Solarzellen
Authors: Ensslen Philipp , Gärtner Stefan , Glaser Konstantin , Colsmann Alexander , Wagenknecht Hans‐Achim
Published: December 2015

Fulleren wurde kovalent mit einem (dA)20‐Templat verknüpft, das als Strukturgerüst für den Aufbau eines selbst‐assoziierenden, geordneten und gemischten Stapels von Ethinylpyren‐ und Ethinylnilrot‐Nucleosid‐Konjugaten diente. Der Energietransfer zwischen den beiden verschiedenen Chromophoren wurde durch Fluoreszenzspektroskopie nachgewiesen. Darüber hinaus wurde die Fluoreszenzlöschung der Stapel verschiedener Chromophormischungen durch das angeknüpfte Fulleren deutlich verstärkt. Das deutet darauf hin, dass das photogenerierte Exciton vom Chromophorstapel durch Elektronentransfer auf das Fulleren dissoziiert. Das Fulleren‐DNA‐Konjugat wurde als photoaktive Schicht von Solarzellen verwendet, die daraufhin Ladungsträger im spektralen Bereich aller drei Komponenten der Konjugate zeigten. Diese Arbeit macht deutlich, dass DNA als strukturgebendes Gerüst für die Assoziation von Chromophoren in zukünftigen organischen optoelektronischen Bauelementen, wie Solarzellen, gut geeignet ist.
Ganzzellen‐Biokatalysator für stereoselektive C‐H‐Aminierungen
Authors: Both Peter , Busch Hanna , Kelly Paul P. , Mutti Francesco G. , Turner Nicholas J. , Flitsch Sabine L.
Published: December 2015

Enantiomerenreine, chirale Amine sind unentbehrliche Bausteine in bioaktiven Pharmazeutika, und ihre Synthese aus einfachen Startmaterialien ist daher von großem Interesse. Eine der vielversprechendsten Strategien ist die chemisch anspruchsvolle, stereoselektive Synthese chiraler Amine durch eine C‐H‐Aminierung. Hier berichten wir über den Einsatz einer Multienzym‐Kaskade, generiert in einer einzelnen bakteriellen Ganzzelle, die es möglich macht, stereoselektive Aminierungen in Benzylposition mit ee‐Werten von 97.5 % zu katalysieren. Die Kaskade nutzt dabei vier heterolog exprimierte, rekombinante Enzyme, wobei die nötigen Kofaktoren von der Wirtzelle bereitgestellt werden und Isopropylamin als Aminodonor extern zugegeben wird. Diese Kaskade repräsentiert damit das erste Beispiel eines erfolgreichen De‐novo‐Designs eines einzelnen Ganzzellen‐Biokatalysators für die formale stereoselektive C‐H‐Aminierung.
Synthesis and Assembly of Dipolar Heterostructured Tetrapods: Colloidal Polymers with “Giant tert‐butyl” Groups
Authors: Pavlopoulos Nicholas G. , Dubose Jeffrey T. , Pinna Nicola , Willinger Marc‐Georg , Char Kookheon , Pyun Jeffrey
Published: December 2015

We report on the first synthesis of a heterostructured semiconductor tetrapod from CdSe@CdS that carries a single dipolar nanoparticle tip from a core–shell colloid of Au@Co. A four‐step colloidal total synthesis was developed, where the key step in the synthesis was the selective deposition of a single AuNP tip onto a CdSe@CdS tetrapod under UV‐irradiation. Synthetic accessibility to this dipolar heterostructured tetrapod enabled the use of these as colloidal monomers to form colloidal polymers that carry the semiconductor tetrapod as a side chain group attached to the CoNP colloidal polymer main chain. The current report details a number of novel discoveries on the selective synthesis of an asymmetric heterostructured tetrapod that is capable of 1D dipolar assembly into colloidal polymers that carry tetrapods as side chain groups that mimic “giant tert‐butyl groups”.
Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond
Authors: Groenewald Ferdinand , Dillen Jan , Raubenheimer Helgard G. , Esterhuysen Catharine
Published: December 2015

MP2 and DFT calculations with correlation consistent basis sets indicate that isolated linear anionic dialkylgold(I) complexes form moderately strong (ca. 10 kcal mol−1) Au⋅⋅⋅H hydrogen bonds with single H2O molecules as donors in the absence of sterically demanding substituents. Relativistic effects are critically important in the attraction. Such bonds are significantly weaker in neutral, strong σ‐donor N‐heterocyclic carbene (NHC) complexes (ca. 5 kcal mol−1). The overall association (>11 kcal mol−1), however, is strengthened by co‐operative, synergistic classical hydrogen bonding when the NHC ligands bear NH units. Further manipulation of the interaction by ligands positioned trans to the carbene, is possible.
A Multi‐RNAi Microsponge Platform for Simultaneous Controlled Delivery of Multiple Small Interfering RNAs
Authors: Roh Young Hoon , Deng Jason Z. , Dreaden Erik C. , Park Jae Hyon , Yun Dong Soo , Shopsowitz Kevin E. , Hammond Paula T.
Published: December 2015

Packaging multiple small interfering RNA (siRNA) molecules into nanostructures at precisely defined ratios is a powerful delivery strategy for effective RNA interference (RNAi) therapy. We present a novel RNA nanotechnology based approach to produce multiple components of polymerized siRNA molecules that are simultaneously self‐assembled and densely packaged into composite sponge‐like porous microstructures (Multi‐RNAi‐MSs) by rolling circle transcription. The Multi‐RNAi‐MSs were designed to contain a combination of multiple polymeric siRNA molecules with precisely controlled stoichiometry within a singular microstructure by manipulating the types and ratios of the circular DNA templates. The Multi‐RNAi‐MSs were converted into nanosized complexes by polyelectrolyte condensation to manipulate their physicochemical properties (size, shape, and surface charge) for favorable delivery, while maintaining the multifunctional properties of the siRNAs for combined therapeutic effects. These Multi‐RNAi‐MS systems have great potential in RNAi‐mediated biomedical applications, for example, for the treatment of cancer, genetic disorders, and viral infections.
Regioselective Synthesis of Nanographenes by Photochemical Cyclodehydrochlorination
Authors: Daigle Maxime , Picard‐Lafond Audrey , Soligo Eliane , Morin Jean‐François
Published: December 2015

Novel nanographenes were prepared by a photochemical cyclodehydrochlorination (CDHC) reaction. Chlorinated precursors were irradiated in acetone in the presence of a base or in pure benzene and underwent multiple (up to four) regioselective cyclization reactions to provide rigid π‐conjugated molecules. Pure compounds were recovered in good yields by simple filtration at the end of the reaction. The CDHC reaction showed compatibility with both electron‐poor and electron‐rich substrates, thus allowing the synthesis of pyridine‐ and thiophene‐fused nanographenes. It also enabled the synthesis of sterically hindered contorted π‐conjugated molecules without causing full aromatization. A kinetic study showed that the CDHC reaction under the conditions used is a very fast process, and some reactions are completed within minutes. The CDHC reaction thus shows great potential as an alternative to other reactions involving harsher conditions for the preparation of nanographenes.
Molecularly Defined Nanostructures Based on a Novel AAA–DDD Triple Hydrogen‐Bonding Motif
Authors: Papmeyer Marcus , Vuilleumier Clément A. , Pavan Giovanni M. , Zhurov Konstantin O. , Severin Kay
Published: December 2015

A facile and flexible method for the synthesis of a new AAA–DDD triple hydrogen‐bonding motif is described. Polytopic supramolecular building blocks with precisely oriented AAA and DDD groups are thus accessible in few steps. These building blocks were used for the assembly of large macrocycles featuring four AAA–DDD interactions and a macrobicyclic complex with a total of six AAA–DDD interactions.
A Disilene Base Adduct with a Dative Si–Si Single Bond
Authors: Schweizer Julia I. , Scheibel Markus G. , Diefenbach Martin , Neumeyer Felix , Würtele Christian , Kulminskaya Natalia , Linser Rasmus , Auner Norbert , Schneider Sven , Holthausen Max C.
Published: December 2015

An experimental and theoretical study of the base‐stabilized disilene1is reported, which forms at low temperatures in the disproportionation reaction of Si2Cl6orneo‐Si5Cl12with equimolar amounts of NMe2Et. Single‐crystal X‐ray diffraction and quantum‐chemical bonding analysis disclose an unprecedented structure in silicon chemistry featuring a dative Si→Si single bond between two silylene moieties, Me2EtN→SiCl2→Si(SiCl3)2. The central ambiphilic SiCl2group is linked by dative bonds to the amine donor and the bis(trichlorosilyl)silylene acceptor, which leads to push–pull stabilization. Based on experimental and theoretical examinations a formation mechanism is presented that involves an autocatalytic reaction of the intermediately formed anion Si(SiCl3)3−withneo‐Si5Cl12to yield1.
Inherent porous structure modified by titanium dioxide nanoparticle incorporation and effect on the fouling behavior of hybrid poly(vinylidene fluoride) membranes
Authors: Younas Hassan , Shao Jiahui , Bai Hongwei , Liu Liyan , He Yiliang
Published: December 2015

The incorporation of nanoparticles (NPs) into a casting solution is a widely used practice for controlling the membrane fouling tendency, but the specific role of NPs in fouling control from an internal porous structure optimization has seldom been investigated. In this study, we evaluated the specific role of titanium dioxide (TiO2)–NPs (Degussa P25) in mitigating membrane organic fouling. We prepared the membranes by tailoring the concentrations of the NPs well; this resulted in an optimized membrane microstructure consisting of fingerlike voids (beneath the skin layer of the membrane) and spongy voids (adjacent to the fingerlike voids). The NP incorporation induced the formation of spongy voids beneath the skin layer, and the increase in the NP concentration increased the formation of spongy voids. Moreover, surface images obtained by scanning electron microscopy, X‐ray photoelectron spectroscopy results, and contact angles confirmed that TiO2–NPs were almost absent on the skin layer. Antifouling experiments were performed with a model organic foulant in two flow orientations [fingerlike voids facing the retentate (FVR) and spongy voids facing the retentate (SVR)]. The results show that the membrane fluxes in FVR decreased more than those in SVR. The membrane with 1.5 wt % TiO2operated in SVR exhibited the lowest flux decline; this suggested that spongy voids with TiO2exposure could mitigate fouling to a greater extent. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 43265.
Surface functionalization of rubber latex nanoparticles with sulfidosilane moieties
Authors: Shahzamani Mahnaz , Bagheri Rouhollah , Masoomi Mahmood
Published: December 2015

Polybutadiene latex particles were functionalized with bis[3‐(triethoxysilyl) propyl] tetrasulfide (TESPT) in the presence of zinc oxide as an activator and ethanol as a co‐solvent. The success of this reaction was confirmed both by the peaks attributed to Si‐O groups at 1085 and 1110 cm−1 and C‐S bond at 630 cm−1 which appeared after reaction in Attenuated Fourier Transform Infrared (ATR‐FTIR) Spectra and also by increasing in the particle size diameter of latex particles (from 95 to 127 nm) in Dynamic Light Scattering analysis. X‐ray Diffraction results also showed changes in crystalline structure of the modified particles (as a strong decrease in the intensity of peak at 2θ=19.54). The effect of reactant concentration in a constant amount of TESPT (by varying the water and ethanol content), reaction time, activator size (micro and nanoparticles), and pH (≈7, 8.5) were investigated on degree of grafting (obtained from thermogravimetric analysis and ATR‐FTIR spectra), particle size diameter, cross‐link density, and swelling ratio of the samples. The amounts of silane grafting and cross‐link density of polymer particles were increased by an increase in the reaction time. The highest grafting degree was observed at low concentration of TESPT. Silane functionalization was also improved in a slight basic condition (pH=8.5) rather than neutral pH. The grafting reaction took place such as sulfur pre‐vulcanization and the possible mechanism of this reaction was discussed. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43268.
Evolutionary Trends in the Jaw Adductor Mechanics of Ornithischian Dinosaurs
Authors: Nabavizadeh Ali
Published: December 2015

Jaw mechanics in ornithischian dinosaurs have been widely studied for well over a century. Most of these studies, however, use only one or few taxa within a given ornithischian clade as a model for feeding mechanics across the entire clade. In this study, mandibular mechanical advantages among 52 ornithischian genera spanning all subclades are calculated using 2D lever arm methods. These lever arm calculations estimate the effect of jaw shape and difference in adductor muscle line of action on relative bite forces along the jaw. Results show major instances of overlap between taxa in tooth positions at which there was highest mechanical advantage. A relatively low bite force is seen across the tooth row among thyreophorans (e.g., stegosaurs and ankylosaurs), with variation among taxa. A convergent transition occurs from a more evenly distributed bite force along the jaw in basal ornithopods and basal marginocephalians to a strong distal bite force in hadrosaurids and ceratopsids, respectively. Accordingly, adductor muscle vector angles show repeated trends from a mid‐range caudodorsal orientation in basal ornithischians to a decrease in vector angles indicating more caudally oriented jaw movements in derived taxa (e.g., derived thyreophorans, basal ornithopods, lambeosaurines, pachycephalosaurs, and derived ceratopsids). Analyses of hypothetical jaw morphologies were also performed, indicating that both the coronoid process and lowered jaw joint increase moment arm length therefore increasing mechanical advantage of the jaw apparatus. Adaptive trends in craniomandibular anatomy show that ornithischians evolved more complex feeding apparatuses within different clades as well as morphological convergences between clades. Anat Rec, 299:271–294, 2016. © 2016 Wiley Periodicals, Inc.
Feedback Stabilization of Singularly Perturbed Systems Under Information Constraints
Authors: Wang Yanyan , Liu Wei , Xu Jianzhong
Published: December 2015

The quantized feedback control for a class of singularly perturbed systems is addressed, in which the controlled system and the controller are connected via a limited capacity communication channel. First, a proper coder–decoder pair is presented such that the transmission error decays to zero exponentially under information constraints. Then, a control law in terms of linear matrix inequalities is constructed to render the resulting closed‐loop system input‐to‐state stable with regard to the transmission error. Thus the asymptotic stability of the closed‐loop system is guaranteed. It is shown that the proposed method is simple and easy to operate. Moreover, an upper bound of the small perturbation parameter for the stability of systems can be explicitly estimated with a workable computational way. Finally, two examples are presented to show the effectiveness of the proposed method.
Ridership estimation procedure for a transit corridor with new bus rapid transit service
Authors: Umlauf Tadeas , Galicia Luis David , Cheu Ruey Long , Horak Tomas
Published: December 2015

Ridership estimation is a critical step in the planning of a new transit route or change in service. Very often, when a new transit route is introduced, the existing routes will be modified, vehicle capacities changed, or service headways adjusted. This has made ridership forecasts for the new, existing, and modified routes challenging. This paper proposes and demonstrates a procedure that forecasts the ridership of all transit routes along a corridor when a new bus rapid transit (BRT) service is introduced and existing regular bus services are adjusted. The procedure uses demographic data along the corridor, a recent origin–destination survey data, and new and existing transit service features as inputs. It consists of two stages of transit assignment. In the first stage, a transit assignment is performed with the existing transit demand on the proposed BRT and existing bus routes, so that adjustments to the existing bus services can be identified. This transit assignment is performed iteratively until there is no adjustment in transit services. In the second stage, the transit assignment is carried out with the new BRT and adjusted regular bus services, but incorporates a potential growth in ridership because of the new BRT service. The final outputs of the procedure are ridership for all routes and route segments, boarding and alighting volumes at all stops, and a stop‐by‐stop trip matrix. The proposed ridership estimation procedure is applicable to a new BRT route with and without competing regular bus routes and with BRT vehicles traveling in dedicated lanes or in mixed traffic. The application of the proposed procedure is demonstrated via a case study along the Alameda Corridor in El Paso, Texas. Copyright © 2015 John Wiley & Sons, Ltd.
The integrity of lexical acquisition mechanisms in autism spectrum disorders: A research review
Authors: Arunachalam Sudha , Luyster Rhiannon J.
Published: December 2015

Research on autism spectrum disorders (ASD) has rapidly expanded in recent years, yielding important developments in both theory and practice. While we have gained important insights into how children with ASD differ from typically developing (TD) children in terms of phenotypic features, less has been learned about if and how development in ASD differs from typical development in terms of underlying mechanisms of change. This article aims to provide a review of processes subserving lexical development in ASD, with the goal of identifying contributing factors to the heterogeneity of language outcomes in ASD. The focus is on available evidence of the integrity or disruption of these mechanisms in ASD, as well as their significance for vocabulary development; topics include early speech perception and preference, speech segmentation, word learning, and category formation. Significant gaps in the literature are identified and future directions are suggested. Autism Res 2016, 9: 810–828. © 2015 International Society for Autism Research, Wiley Periodicals, Inc.
Wirkstoff‐Restgehalte verkapselter und freier Biozide in hydrophoben Fassadenbeschichtungen
Authors: Schwerd Regina , Scherer Christian , Breuer Klaus
Published: December 2015

In einem mehrjährigen Freilandversuch wurde die Dauerhaftigkeit der bioziden Wirkstoffe Terbutryn (2‐Methylthio‐4‐tert‐butylamino‐1,3,5‐triazin), Diuron (DCMU, 3‐(3,4‐dichlorophenyl)‐1,1‐dimethylurea), IPBC (3‐Iodoprop‐2‐ynyl‐N‐butylcarbamat), OIT (2‐n‐Octyl‐isothiazolin‐3‐on) und DCOIT (4, 5‐Di‐chloro‐2‐n‐octyl‐isothiazolin‐3‐on) in einer hydrophoben organisch gebunden Fassadenbeschichtung nach DIN EN 15824 vergleichend in freier und mikroverkapselter Form untersucht. Für die verkapselten Wirkstoffe ergaben sich dabei höhere Wirkstoff‐Restgehalte in der Beschichtung über die Zeit als für frei eingesetzte Wirkstoffe. Hinweise auf gerichtete Migrationsvorgänge innerhalb der Fläche wurden nicht gefunden. Eine Bilanzierung von Einsatzkonzentrationen, Wirkstoffaustrag durch Auswaschung und Restgehalten in der Putzmatrix nach einem Jahr Freibewitterung ergab Bilanzlücken von bis zu 64 %.

Contents of encapsulated and non‐encapsulated biocides in hydrophobic façade coatings. The durability of the biocidal compounds Terbutryne (2‐Methylthio‐4‐tert‐butylamino‐1,3,5‐triazin), Diuron (DCMU, 3‐(3,4‐dichlorophenyl)‐1,1‐dimethylurea), IPBC (3‐Iodoprop‐2‐ynyl‐N‐butylcarbamate), OIT (2‐n‐Octyl‐isothiazolin‐3‐one) and DCOIT (4, 5‐Di‐chloro‐2‐n‐octyl‐isothiazolin‐3‐one) in a hydrophobic façade coating was examined in a several year weathering experiment. Biocide contents were determined in encapsulated and non‐encapsulated form. For encapsulated biocides, the contents found in the coatings were higher than for non‐encapsulated biocides. Hints indicating any migration processes of the biocidal active substances within the surface were not found. Considering the initial concentration, leaching of substances by driving rain and remaining contents in the coating after one year of weathering into a balance led to balance gaps of up to 64 %.
Parental risk factors of anorectal malformations: Analysis with a regional population‐based control group
Authors: Zwink Nadine , Rissmann Anke , Pötzsch Simone , Reutter Heiko , Jenetzky Ekkehart ,   CURE‐Net Consortium
Published: December 2015

Background

Adequate evidence on environmental risk factors for anorectal malformations (ARMs) is very limited. We assessed maternal body weight and several prenatal exposures of the parents to tobacco, pregestational diabetes, chronic cardiovascular and respiratory diseases, periconceptional folic acid and multivitamin intake.

Methods

Data from the German Network for Congenital Uro‐REctal malformations (CURE‐Net) were compared with data from the Malformation Monitoring Centre Saxony‐Anhalt of the Otto‐von‐Guericke University in Magdeburg, Germany. Controls were matched to cases by gender and birth year of the child. Crude and adjusted odds ratios (95% confidence intervals) were calculated for potential risk factors using multivariable logistic regression.

Results

In total, 158 ARM patients and 474 healthy infants born between 1993 and 2008 in Germany were included. Maternal age at birth of ARM cases and birth plurality were significantly higher and gestational age and weight significantly lower compared with controls (p< 0.0001). We observed significantly increased risks for ARMs associated with maternal smoking before conception and the first trimester of pregnancy (odds ratio = 2.23, 95% confidence interval 1.04–4.79,p= 0.039) and maternal chronic respiratory diseases (odds ratio = 29.25, 95% confidence interval 8.22–104.14,p< 0.0001). No statistically significant increased risk or protective effect was found for the other investigated factors.

Conclusion

This study suggests an association between the occurrence of ARMs in the offspring and periconceptional maternal smoking as well as maternal chronic respiratory diseases. In addition, there might be a sign of an association for maternal diabetes, although not statistically significant. It can be assumed that the power is far too low to provide reliable estimates. Birth Defects Research (Part A) 106:133–141, 2016. © 2015 Wiley Periodicals, Inc.
Impact of prenatal diagnosis on the outcome of patients with a transposition of great arteries: A 24‐year population‐based study
Authors: Debost‐Legrand Anne , Ouchchane Lemlih , Francannet Christine , Goumy Carole , Perthus Isabelle , Beaufrère Anne‐Marie , Gallot Denis , Lemery Didier , Lusson Jean‐René , Laurichesse‐Delmas Hélène
Published: December 2015

Background

Transposition of great arteries (TGA) defined as the combination of concordant atrioventricular and discordant ventriculo‐arterial connections is one of the most common congenital heart defects. Prenatal diagnosis of TGA remains difficult. To determine the impact of antenatal diagnosis we evaluated the sensitivity of antenatal detection and the neonatal mortality of TGA considering two study periods and two major types of TGA.

Methods

A cross‐sectional study was performed. Data were collected from a French population‐based birth defect registry. From 1988 to 2012, 94 fetuses with TGA were registered. The study period was subdivided into the 1988 to 1999 period and the 2000 to 2012 period. Two types of TGA were considered: isolated TGA (n = 66) and associated TGA (n = 28). A stratified analysis was performed considering the study periods and the types of TGA.

RESULTS

Considering the study periods, the sensitivity of prenatal detection of TGA increased significantly (9.8% vs. 51.5%, p = 0.0001). The same trend was found for associated TGA (4.8% vs. 33.3%, p = 0.002) and isolated TGA (21.1% vs. 100%, p < 0.001). A late diagnosis of TGA (7 days after birth) was observed in 13.2% of cases. Neonatal mortality decreased significantly over time for isolated TGA (25.0% vs. 0 p = 0.01). Prenatal diagnosis of both types of TGA did not improve survival.

Conclusion

We demonstrated that prenatal diagnosis and neonatal mortality of TGA varied greatly according to the malformation type and the study period. This could be explained by an improvement in terms of medical management. Birth Defects Research (Part A) 106:178–184, 2016. © 2015 Wiley Periodicals, Inc.
The benefits of cancer screening in kidney transplant recipients: a single‐center experience
Authors: Kato Taigo , Kakuta Yoichi , Abe Toyofumi , Yamanaka Kazuaki , Imamura Ryoichi , Okumi Masayoshi , Ichimaru Naotsugu , Takahara Shiro , Nonomura Norio
Published: December 2015

The frequency of malignancy is increasing in kidney transplant recipients. Posttransplant malignancy (PTM) is a major cause of long‐term graft survival inhibition. In this study, we evaluated the frequency and prognosis of PTM at our center and examined the efficacy of cancer screening. Between 1972 and 2013, 750 patients were followed‐up at our center. Annual physical examinations and screenings were performed to detect PTM. We investigated the detail of two distinctive cancer groups: screening‐detected cancers and symptom‐detected cancers. Seventy‐seven PTM were identified during the follow‐up period. The mean age at the initial PTM detection was 43.6 ± 12.8 years. The mean interval from transplantation to cancer diagnosis was 134.5 ± 11.3 months. Among the 77 patients, posttransplant lymphoproliferative disease (PTLD) was the most common cancer (19.5%, 15/77), followed by renal cell carcinoma (15.6%, 12/77). Of the cancer cases, 46.8% (36/77) were detected via screening. The most frequently screening‐detected cancer was renal cell carcinoma of the native kidney and breast cancer (22.2%, 8/36). However, it was difficult to detect PTLD, urothelial carcinoma, and colorectal cancer via screening. Interestingly, Cox proportional regression analyses revealed nonscreened recipients to be a significant prognostic factor for PTM (P < 0.001). This study is the first to report that appropriate screening tests play a key role in early PTM diagnosis and lead to reduce the mortality rate in kidney transplant recipients. These findings support the provision of long‐term appropriate screening for kidney transplant recipients.
Characteristics of cultured desmoid cells with different CTNNB1 mutation status
Authors: Hamada Shunsuke , Urakawa Hiroshi , Kozawa Eiji , Arai Eisuke , Ikuta Kunihiro , Sakai Tomohisa , Ishiguro Naoki , Nishida Yoshihiro
Published: December 2015

Desmoid tumors are benign mesenchymal neoplasms with a locally aggressive nature. The mutational status of β‐catenin gene (CTNNB1) is presumed to affect the tumorous activity of the cells. In this study, we isolated three kinds of desmoid cell with different CTNNB1 status, and compared their characteristics. Cells were isolated from three patients with abdominal wall desmoid during surgery, all of which were resistant to meloxicam treatment. The mutational status of the CTNNB1 exon 3 was determined for both parental tumor tissues and isolated cultured cells. β‐catenin expression was determined with immunohistochemistry. Responsiveness to meloxicam was investigated with MTS assay together with COX‐2 immunostaining. mRNA expressions of downstream molecules of Wnt/β‐catenin pathway were determined with real‐time RT‐PCR. Three kinds of cell isolated from desmoid tumors harboring different CTNNB1 mutation status (wild type, T41A, and S45F), all exhibited a spindle shape. These isolated cells could be cultured until the 20th passage with unchanged proliferative activity. Nuclear accumulation of β‐catenin was observed in all cultured cells, particularly in those with S45F. Proliferating activity was significantly suppressed by meloxicam (25 μmol/L, P < 0.007) in all three cell cultures, of which parental desmoid was resistant to meloxicam clinically. The mRNA expressions of Axin2, c‐Myc, and Cyclin D1 differently increased in the three cultured cell types as compared with those in human skin fibroblast cells (HDF). Inhibitors of Wnt/β‐catenin pathway downregulated Axin2, c‐Myc, and Cyclin D1 significantly. Isolated and cultured desmoid tumor cells harboring any one of the CTNNB1 mutation status had unique characteristics, and could be useful to investigate desmoid tumors with different mutation status of CTNNB1.
Lymphovascular space invasion and lack of downstaging after neoadjuvant chemotherapy are strong predictors of adverse outcome in young women with locally advanced breast cancer
Authors: Khwaja Shariq S. , Ivanovich Jennifer , DeWees Todd A. , Ochoa Laura , Mullen Daniel F. , Thomas Maria , Margenthaler Julie A. , Cyr Amy , Naughton Michael , Sanati Souzan , Eberlein Timothy J. , Gillanders William E. , Aft Rebecca L. , Zoberi Jacqueline E. , Zoberi Imran
Published: December 2015

Younger age diagnosis of breast cancer is a predictor of adverse outcome. Here, we evaluate prognostic factors in young women with locally advanced breast cancer (LABC). We present a retrospective review of 104 patients younger than 40 years with LABC treated with surgery, radiotherapy (RT), and chemotherapy from 2003 to 2014. Patient‐, tumor‐, and treatment‐related factors important for overall survival (OS), local/regional recurrence (LRR), distant metastasis (DM), and recurrence‐free survival (RFS) were evaluated. Mean age at diagnosis was 34 years (23–39 years) with a median follow‐up of 47 months (8–138 months). Breast‐conserving surgery was performed in 27%. Axillary lymph node dissection was performed in 85%. Sixty percent of patients received neoadjuvant chemotherapy with 19% achieving pathologic complete response (pCR), and 61% downstaged. Lymph node positivity was present in 91% and lymphovascular space invasion (LVSI) in 35%. Thirty‐two percent of patients had triple negative tumors (TN, ER‐/PR‐/HER2 nonamplified). Four‐year OS and RFS was 84% and 71%, respectively. Factors associated with worse OS on multivariate analysis include TN status, LVSI, and number of positive lymph nodes. LVSI was also associated with DM and LRR, as well as worse RFS. Downstaging was associated with improved 4 year RFS in patients receiving neoadjuvant chemotherapy (74% vs. 38%, P = 0.002). With high risks of recurrence and inferior OS compared to older women, breast cancer in young women can be difficult to treat. Among additional factors, presence of LVSI and lack of downstaging portends a particularly worse prognosis.
Xanthine oxidoreductase in cancer: more than a differentiation marker
Authors: Battelli Maria Giulia , Polito Letizia , Bortolotti Massimo , Bolognesi Andrea
Published: December 2015

Human xanthine oxidoreductase (XOR) catalyzes the last two steps of purine catabolism and is present in two interconvertible forms, which may utilize O2 or NAD+ as electron acceptors. In addition to uric acid, XOR products may comprise reactive oxygen and nitrogen species that have many biologic effects, including inflammation, endothelial dysfunction, and cytotoxicity, as well as mutagenesis and induction of proliferation. XOR is strictly modulated at the transcriptional and post‐translational levels, and its expression and activity are highly variable in cancer. Xanthine oxidoreductase (XOR) expression has been negatively associated with a high malignity grade and a worse prognosis in neoplasms of the breast, liver, gastrointestinal tract, and kidney, which normally express a high level of XOR protein. However, the level of XOR expression may be associated with a worse outcome in cancer of low XOR‐expressing cells, in relation to the inflammatory response elicited through the tissue damage induced by tumor growth. Xanthine oxidoreductase (XOR) has been implicated in the process of oncogenesis either directly because it is able to catalyze the metabolic activation of carcinogenic substances or indirectly through the action of XOR‐derived reactive oxygen and nitrogen species. The role of uric acid is characterized by both oxidant and antioxidant action; thus, it is still debatable whether control of uricemia may be helpful to improve the outcomes of tumor illness.
Segmentation‐based skinning
Authors: Ramírez Flores Jorge Eduardo , Sánchez Antonio Susín
Published: December 2015

Skeleton‐driven animation is popular by its simplicity and intuitive control of the limbs of a character. Linear blend skinning (LBS) is up to date the most efficient and simple deformation method; however, painting influence skinning weights is not intuitive, and it suffers the candy‐wrapper artifact. In this paper, we propose an approach based on mesh segmentation for skinning and skeleton‐driven computer animation. We propose a novel and fast method, based in watershed segmentation to deal with characters in T‐Pose and arbitrary poses, a simple weight assign algorithm based in the rigid skinning obtained with the segmentation algorithm for the LBS deformation method, and finally, a modified version of the LBS that avoids the loss of volume in twist rotations using the segmentation stage output values. Copyright © 2015 John Wiley & Sons, Ltd.
Enhancing DNA Crystal Durability through Chemical Crosslinking
Authors: Zhang Diana , Paukstelis Paul J.
Published: December 2015

Three‐dimensional (3D) DNA crystals have been envisioned as a powerful tool for the positional control of biological and non‐biological arrays on the nanoscale. However, most DNA crystals contain short duplex regions that can result in low thermal stability. Additionally, because DNA is a polyanion, DNA crystals often require high cation concentrations to maintain their integrity. Here, we demonstrate that a DNA alkylating mustard, bis(2‐chloroethyl)amine, can form interstrand crosslinks within a model 3D DNA crystal. The crosslinking procedure did not alter crystal X‐ray diffraction properties, but it did significantly improve the overall stability of the crystals under a variety of conditions. Crosslinked crystals showed enhanced stability at elevated temperature and were stable at Mg2+ concentrations as low as 1 mm. Remarkably, the crosslinked crystals showed significant resistance to DNase I treatment, while also having improved longevity in tissue culture mediums. Characterization of the crosslinked species suggest that there are multiple crosslinking sites, but that the most prevalent interstrand crosslink involves an unpaired 3′‐terminal guanosine residue. The improved stability of these DNA crystals suggests that simple treatment with alkylating reagents might be sufficient to stabilize crystals and other DNA constructs for improved functionality in biological and non‐biological applications.
Copper‐Based Photosensitisers in Water Reduction: A More Efficient In Situ Formed System and Improved Mechanistic Understanding
Authors: Lennox Alastair J. J. , Fischer Steffen , Jurrat Mark , Luo Shu‐Ping , Rockstroh Nils , Junge Henrik , Ludwig Ralf , Beller Matthias
Published: December 2015

The reduction of water has been achieved through a non‐noble‐metal‐based homogeneous catalyst system that is formed in situ. Optimisation of the ligand quantities increased catalyst turnover numbers compared to preformed complexes. Mechanistic studies confirm a heteroleptic Cu complex as the active photosensitiser (PS) and an in situ formed Fe–phosphido dimer complex as the water reduction catalyst. The in situ method has been used to screen a range of ligands for the active PS, which has led to the identification a number of structural features important to longevity and performance.
ChemInform Abstract: Ammine‐Stabilized Transition‐Metal Borohydrides of Iron, Cobalt, and Chromium: Synthesis and Characterization.
Authors: Roedern Elsa , Jensen Torben R.
Published: December 2015

[Fe(NH3)6](BH4)2 (I) and [Co(NH3)6](BH4)2 (II) as well as the solid solution [Co(NH3)6](BH4)2‐xClx (x ≈1) (III) and the bimetallic [Fe(NH3)6](Li2(BH4)4) (IV) are prepared either in anhydrous Me2S or by a metathesis reaction in liquid NH3 as the solvents which allow for the removal of formed inert metal halides.
ChemInform Abstract: Observation of Anion Order in Pb2Ti4O9F2.
Authors: Oka Kengo , Oh‐ishi Katsuyoshi
Published: December 2015

First time, the title compound is prepared by solid state reaction of stoichiometric amounts of PbO, PbF2 (slight excess), and TiO2 (Pyrex tubes, 823 K, 12 h).
ChemInform Abstract: A Layered Manganese(IV)‐Containing Heteropolyvanadate with a 1:14 Stoichiometry.
Authors: Guo Weiwei , Bacsa John , van Leusen Jan , Sullivan Kevin P. , Lv Hongjin , Koegerler Paul , Hill Craig L.
Published: December 2015

The new compound K4Li2 [MnV14O40]·21H2O is synthesized from an aqueous mixture of K7[MnV13O38], V2O5, LiOAc, and AcOH (pH 4, 90 °C, 3 h; 44% yield).
ChemInform Abstract: Metastable Ni7B3: A New Paramagnetic Boride from Solution Chemistry, Its Crystal Structure and Magnetic Properties.
Authors: Hofmann Kathrin , Kalyon Nalan , Kapfenberger Christine , Lamontagne Leo , Zarrini Salman , Berger Robert , Seshadri Ram , Albert Barbara
Published: December 2015

The title compound is prepared by dropwise addition of an aqueous NiCl2 solution to solid NaBH4 followed by annealing the precipitate at 375 °C in vacuo for 2 h.
ChemInform Abstract: Ruthenium‐Catalyzed Formal Dehydrative [4 + 2] Cycloaddition of Enamides and Alkynes for the Synthesis of Highly Substituted Pyridines: Reaction Development and Mechanistic Study.
Authors: Wu Jicheng , Xu Wenbo , Yu Zhi‐Xiang , Wang Jian
Published: December 2015

An efficient method is elaborated for the preparation of tetrasubstituted pyridines (VII), (IX), (XI), and (XV) from enamides and alkynes.
ChemInform Abstract: Green and Efficient: Iron‐Catalyzed Selective Oxidation of Olefins to Carbonyls with O2.
Authors: Gonzalez‐de‐Castro Angela , Xiao Jianliang
Published: December 2015

A broad range of α‐ and β‐substituted styrene derivatives is chemoselectively oxidized to the corresponding aromatic aldehydes or ketones.
ChemInform Abstract: Copper‐Catalyzed Synthesis of Trifluoroethylarenes from Benzylic Bromodifluoroacetates.
Authors: Ambler Brett R. , Zhu Lingui , Altman Ryan A.
Published: December 2015

The use of KI and DMF/MeCN as solvent mixture enables the efficient Cu‐catalyzed decarboxylative trifluoromethylation of benzylic bromodifluoroacetates.
ChemInform Abstract: Metal‐Free Carbonyl C(sp2)—H Oxidative Alkynylation of Aldehydes Using Hypervalent Iodine Reagents Leading to Ynones.
Authors: Ouyang Xuan‐Hui , Song Ren‐Jie , Wang Cheng‐Yong , Yang Yuan , Li Jin‐Heng
Published: December 2015

According to mechanistic studies, the reaction is based on a carbonyl C(sp2)—H oxidative radical coupling process.
ChemInform Abstract: Catalytic Asymmetric Oxidative α‐C—H N,O‐Ketalization of Ketones by Chiral Primary Amine.
Authors: Xu Changming , Zhang Long , Luo Sanzhong
Published: December 2015

An amine‐catalyzed α,α‐bisfunctionalization of β‐keto carbonyls and cyclohexanones affords chiral N,O‐ketals.
ChemInform Abstract: Expansion of Thiele′s Acid Chemistry in Pursuit of a Suite of Conformationally Constrained Scaffolds.
Authors: Chen Jun , Kilpatrick Brenden , Oliver Allen G. , Wulff Jeremy E.
Published: December 2015

An improved method for the synthesis of Thiele′s esters is presented.
ChemInform Abstract: Suzuki—Miyaura Coupling Reactions of Conjunctive Reagents: 2‐Borylated Allylic Sulfones.
Authors: Altenhofer Erich F. , Harmata Michael
Published: December 2015

Methods for the Suzuki‐Miyaura coupling of borylated allylic sulfones with electrophiles in both the inter‐ and the less common intramolecular modes are developed.
ChemInform Abstract: In/I2 Mediated Functional Group Transformation: A Direct Approach Toward the Selective Conversion of Dithioester to Ester.
Authors: Chowdhury Sushobhan , Koley Suvajit , Chanda Tanmoy , Singh Maya Shankar
Published: December 2015

A variety of α‐allyl‐β‐oxodithioesters is efficiently transformed into the corresponding methylesters.
ChemInform Abstract: Chromatography‐Free and Eco‐Friendly Synthesis of Aryl Tosylates and Mesylates.
Authors: Lei Xiangyang , Jalla Anusha , Abou Shama Mhd A. , Stafford Jamie M. , Cao Billy
Published: December 2015

A broad variety of activated and deactivated phenols as well as hydroxy‐hetarenes give the corresponding tosylates and mesylates in high yields.
ChemInform Abstract: Generation of o‐Quinodimethanes (o‐QDMs) from Benzo[c]oxepines and the Synthetic Application for Polysubstituted Tetrahydronaphthalenes.
Authors: Wang Jungang , Wang Miao , Xiang Jiachen , Xi Hailing , Wu Anxin
Published: December 2015

Adjustment of the reaction conditions allows for the preparation of either naphthalene or dibenzocyclooctadiene or benzocyclobutene or ortho‐methylstyrene derivatives.
ChemInform Abstract: Diastereodivergent Asymmetric 1,4‐Addition of Oxindoles to Nitroolefins by Using Polyfunctional Nickel‐Hydrogen‐Bond‐Azolium Catalysts.
Authors: Mechler Melanie , Peters Rene
Published: December 2015

In this asymmetric addition reaction the axially chiral bisimidazolium moiety determines the configuration of the stereocenter at the nitroolefin whereas the iminoalcohol side arms mainly control the stereocenter at the oxindole.