bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Allylarenes via Catalytic Decarboxylation of Allyl Benzoates
Authors: Pfister Kai F. , Grünberg Matthias F. , Gooßen Lukas J.
Published: September 2014

A catalyst system consisting of the palladium(0) complex Pd2(dba)3 and tri(p‐tolyl)phosphine was found to efficiently promote the decarboxylation of allyl benzoates with formation of allylarenes. This catalytic CO activation followed by extrusion of carbon dioxide and CC bond formation represents a sustainable alternative to traditional waste‐intensive cross‐couplings. The scope of the transformation includes allyl and cinnamyl esters of various ortho‐substituted benzoic acids. For particularly activated substrates, the palladium catalyst can optionally be replaced by an inexpensive nickel complex.

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Polymer Color Properties: Neural Network Modeling
Authors: Saeed U. , Alsadi J. , Ahmad S. , Rizvi G. , Ross D.
Published: September 2014

The prediction and optimization of polymer color properties is a complex problem with no easy method to predict color properties directly and accurately. The problem is especially complicated with the formulation of polymers to achieve the physical properties. By considering the formulation, the neural network has been implemented for prediction of color properties consisting of sigmoid hidden units and a linear output unit arranged in a feed forward back propagation architecture. An optimal design is accomplished for 15, 16, 17, 18, 19, and 20 hidden neurons with four different algorithms including gradient descent with momentum (GDM), resilient backpropagation (resilient backpropagation), scaled conjugate gradient (SCG), and Levenberg–Marquardt (LM) algorithm. The best result in terms of statistics is presented by the LM algorithm with 16 neurons in the designed artificial neural network (ANN) model. The degree of accuracy of the ANN model is proven acceptable in all statistical analysis and shown in results. However, it was concluded that ANN provides a possible method for the prediction of specific color tristimulus values.
Effect of Die Geometry on Drawdown Force of Polypropylene at Capillary Extrusion
Authors: SEEMORK JIRAPORN , SIRIPRUMPOONTHUM MONCHAI , LEE YOUNGJUN , NOBUKAWA SHOGO , YAMAGUCHI MASAYUKI
Published: September 2014

Drawdown force, defined as the force needed to stretch a polymer melt uniaxially at capillary extrusion, is investigated using isotactic polypropylene. In this study, we focus on the effect of die geometry on the drawdown force. As similar to the swell ratio, which decreases with increasing die length, the drawdown force is found to increase with the die length. A prolonged residence time in a long die leads to the marked orientation. Consequently, crystallization occurs rapidly after passing through a long die, which is confirmed by wide‐angle X‐ray measurements. Moreover, the rapid crystallization by the addition of a nucleating agent also enhances the drawdown force.
Improving outcomes for patients with acute myeloid leukemia in first relapse: A single center experience
Authors: Pemmaraju Naveen , Kantarjian Hagop , Garcia‐Manero Guillermo , Pierce Sherry , Cardenas‐Turanzas Marylou , Cortes Jorge , Ravandi Farhad
Published: September 2014

The outcome of patients with relapsed acute myeloid leukemia (AML) remains unsatisfactory, with few available effective therapies. Increased understanding of the biology of the disease has led to the identification of novel therapeutic agents, several of which have been evaluated in recently conducted clinical trials. We sought to determine whether the introduction of these agents as well as modern supportive care measures has already translated to better outcomes. We examined the outcomes of 1,056 patients with AML in first relapse treated between January 1993 and December 2013 at our institution. As previously reported, the independent prognostic factors for survival after first relapse included age at relapse, cytogenetics, and duration of first complete remission. Upon multivariable analysis, treatment era was an independent predictor of survival, with significant improvement in overall survival between 2008 and 2013 as compared to prior time periods. Modern supportive care measures as well as participation in clinical trials of novel agents are already improving the outcomes in first relapse. Am. J. Hematol. 90:27–30, 2015. © 2014 Wiley Periodicals, Inc.
Self‐employed persons in Sweden ‐ mortality differentials by industrial sector and enterprise legal form: A five‐year follow‐up study
Authors: Toivanen Susanna , Mellner Christin , Vinberg Stig
Published: September 2014

Objectives

This study investigated mortality differentials between self‐employed persons in Sweden, considering industrial sector, enterprise characteristics and socio‐demographic factors.

Methods

Data on 321,274 self‐employed persons were obtained from population registers in Sweden. Cox proportional hazards models were used to compare all‐cause and cause‐specific mortality rate ratios by industrial sector and enterprise legal form, adjusted for confounders.

Results

All‐cause mortality was 10–32% higher in self‐employed persons in Manufacturing and Mining, Trade and Communication, and Not Specified and Other sectors than in Agriculture, Forestry, and Fishing. Mortality from cardiovascular disease was 23% higher in Trade and Communication, and from neoplasms 17–51% higher in Manufacturing and Mining, Not Specified, and Other. Mortality from suicide was 45–60% lower in Personal and Cultural Services, and in Not Specified. Mortality was 8–16% higher in sole proprietorship than limited partnership.

Conclusions

Further research of working conditions is warranted, considering industry and enterprise legal form. Am. J. Ind. Med. 58:21–32, 2015. © 2014 Wiley Periodicals, Inc.
CHD7 mutations are not a major cause of atrioventricular septal and conotruncal heart defects
Authors: Corsten‐Janssen Nicole , du Marchie Sarvaas Gideon J. , Kerstjens‐Frederikse Wilhelmina S. , Hoefsloot Lies H. , van Beynum Ingrid M. , Kapusta Livia , van Ravenswaaij‐Arts Conny M.A.
Published: September 2014

Since 2004, CHD7 mutations have been a known cause of CHARGE (Coloboma, Heart defects, Atresia of choane, Retardation of growth and development, Genital hypoplasia, Ear anomalies) syndrome, but the full clinical spectrum of CHD7 mutations is only now gradually emerging. CHD7 mutations have been identified in patients who do not fulfill the clinical criteria for CHARGE syndrome and in patients with overlapping syndromes. Variable congenital heart defects occur in the majority of patients with CHD7 mutations, with an overrepresentation of atrioventricular septal defects and conotruncal heart defects. This prompted us to study CHD7 in 46 patients with these heart defects and one other feature of CHARGE syndrome. We identified two CHD7 variants that were inherited from a healthy parent (c.3778 + 17C > T, c.7294G > A), but no pathogenic CHD7 mutations. We conclude that CHD7 mutations are not a major cause of the atrioventricular septal defects and conotruncal heart defects, not even if one extra phenotypic feature of CHARGE syndrome is present. Therefore, CHD7 analysis should not be performed routinely in this group of patients. However, we do recommend adding CHD7 to massive parallel sequencing gene panels for diagnostic work in patients with syndromic heart defects. © 2014 Wiley Periodicals, Inc.
Effect of lovastatin on behavior in children and adults with fragile X syndrome: An open‐label study
Authors: Çaku Artuela , Pellerin David , Bouvier Paméla , Riou Emilie , Corbin Francois
Published: September 2014

Fragile X syndrome (FXS) results from dynamic mutations leading ultimately to the absence of expression of the Fragile X Mental Retardation Protein (FMRP). It is characterized by synaptic upregulated protein synthesis and immature dendritic spines associated with altered brain plasticity and cognitive functions. Recent work in Fmr1 knockout mice has shown that lovastatin, an inhibitor of Ras‐ERK1/2, normalized hippocampus protein synthesis. We hypothesize that lovastatin, as a disease‐modifying drug, would counterweigh the absence of FMRP and improve behavior. Here we report a phase I study to assess the safety and efficacy of lovastatin in individuals with FXS. A total of 15 patients (13 males, 6–31 years old) were treated with escalating doses of lovastatin (up to 40 mg) for three months. Their behavior were assessed before and after treatment using the Aberrant Behavioral Checklist—Community (ABC‐C) total score (primary outcome), as well as domains of the FXS validated version of the ABC‐C (secondary outcomes). The treatment was well tolerated and minimal side effects were reported. Significant improvement in the primary outcome (P < 0.005), as well as in secondary outcomes, were observed in the majority of the subjects (12/15). We think that long‐term sustained treatment with diseased‐modifying drugs would be necessary in order to improve behavior and ultimately learning. Lovastatin, well known for its long‐term security profile, would be a good candidate for that purposes. Our study showing reassuring safety data along with potential functional benefit emphasizes the need of a placebo‐controlled trial to ascertain lovastatin efficacy in FXS individuals. © 2014 Wiley Periodicals, Inc.
Genetic knowledge and attitudes of parents of children with congenital heart defects
Authors: Fitzgerald‐Butt Sara M. , Klima Jennifer , Kelleher Kelly , Chisolm Deena , McBride Kim L.
Published: September 2014

Clinical genetic testing for specific isolated congenital heart defects (CHD) is becoming standard of care in pediatric cardiology practice. Both genetic knowledge and attitudes toward genetic testing are associated with an increased utilization of genetic testing, but these factors have not been evaluated in parents of children with CHD. We mailed a survey to measure the demographics, genetic knowledge, and attitudes towards genetic testing of parents of children with CHD who previously consented to participate in a separate research study of the genetic etiology of left ventricular outflow tract malformations (LVOT). Of the 378 eligible families, 190 (50%) returned surveys with both parents completing surveys in 97 (51%) families, resulting in 287 participants. Genetic knowledge was assessed on an adapted measure on which the mean percent correct was 73.8%. Educational attainment and household income were directly and significantly associated with genetic knowledge (P < 0.001). Attitudes about the health effects of genetic testing were favorable with at least 57% agreeing that genetic testing would be used for managing health care and finding cures for disease. Conversely, a minority of participants found it likely that genetic testing would be used for insurance (up to 39.9%), employment (15.8%), or racial/social discrimination (up to 11.2%). Parents of younger children were less likely to endorse employment or racial/social discrimination. Genetic knowledge was not correlated with specific attitudes. Among parents of children with CHD, genetic knowledge was directly associated with household income and education, but additional research is necessary to determine what factors influence attitudes towards genetic testing. © 2014 Wiley Periodicals, Inc.
Duodenal atresia in 17q12 microdeletion including HNF1B: A new associated malformation in this syndrome
Authors: Quintero‐Rivera Fabiola , Woo Jennifer S. , Bomberg Eric M. , Wallace W. Dean , Peredo Jane , Dipple Katrina M.
Published: September 2014

Deletions of chromosome 17q12 [OMIM 614527] encompass a wide range of phenotypes, including renal cysts, diabetes mellitus, pancreatic structural abnormalities, genital tract anomalies, developmental delay, learning difficulties, and more recently, autism spectrum disorder and schizophrenia. To date, gastrointestinal malformations have not been fully characterized in this syndrome. In this case report, we describe a four‐year‐old girl with a 17q12 microdeletion who was born with duodenal atresia, bilateral renal cysts, left kidney dysplasia, a midline cystic structure at the conus medullaris, and dysmorphic features. Both the patient and her affected father were found to have a deletion of 17q12, which encompasses the HNF1B (hepatocyte nuclear factor beta). It is hypothesized that HNF1B may play a role in intestinal differentiation and development. Our clinical report further expands the pre‐and post‐natal presentation of this rare microdeletion syndrome. © 2014 Wiley Periodicals, Inc.
Co‐occurrence of non‐mosaic trisomy 22 and inherited balanced t(4;6)(q33;q23.3) in a liveborn female: Case report and review of the literature
Authors: Kehinde Folasade I. , Anderson Carol E. , McGowan Jane E. , Jethva Reena N. , Wahab Mohammed A. , Glick Adina R. , Sterner Mark R. , Pascasio Judy M. , Punnett Hope H. , Liu Jinglan
Published: September 2014

Trisomy 22 is the third most common autosomal trisomy occurring in about 0.4% of all clinically recognized pregnancies. Complete non‐mosaic trisomy 22 is extremely rare in live births. Most affected children die before one year of age. To date, only 29 liveborn cases have been reported and none has carried an additional genetic lesion. In this report, we describe the clinical presentation, cytogenetic, and cytogenomic findings in a liveborn female with complete non‐mosaic trisomy 22 as well as a paternally inherited, balanced reciprocal chromosomal rearrangement t(4;6)(q33;q23.3). The proband manifested features commonly seen in individuals with non‐mosaic trisomy 22 such as intrauterine growth retardation (IUGR), single umbilical artery, cranial abnormalities, short neck, cleft lip and palate, dysmorphic ears, hypoplastic nipples, digital malformation, congenital heart defects, dysplastic kidneys, and genital anomalies. In addition, she had lobar holoprosencephaly, aqueductal stenosis, and limb and eye problems that have not been associated with complete trisomy 22 in previous reports. She died at 35 days of age of complex heart disease and renal failure. We are hereby expanding the cytogenetic and clinical spectrum of this rare chromosome disorder. Clinical features of liveborn children with non‐mosaic trisomy 22 are reviewed and compared to those in our proband. The impact of genomic content in relation to the survival of trisomies in humans is also discussed. © 2014 Wiley Periodicals, Inc.
A 13‐year‐old boy with a 7q36.1q36.3 deletion with additional findings
Authors: Hyohyeon Cha , Lee Cha Gon
Published: September 2014

Relatively little is known about 7q terminal deletion contiguous gene deletion syndrome. The deleted region includes more than 40 OMIM genes. We here report on a 13‐year‐old boy with7q terminal deletion syndrome, a 6.89‐Mb sized deletion on 7q36.1q36.3, identified by oligonucleotide array comparative genomic hybridization (CGH). He showed microform holoprosencephaly with microcephaly, distinctive facial features, severe intellectual disabilities, behavior problems, seizures, short stature, penoscrotal transposition, and ulnar ray deficiency. To date, no case of penoscrotal transposition or ulnar ray deficiency has been reported in 7q terminal syndrome. The majority of our patient presentations were attributed to dosage expression of the SHH gene with contributions from deleted genes within 7q. © 2014 Wiley Periodicals, Inc.
A Cost‐Effective 3D Hydrogen Evolution Cathode with High Catalytic Activity: FeP Nanowire Array as the Active Phase
Authors: Jiang Ping , Liu Qian , Liang Yanhui , Tian Jingqi , Asiri Abdullah M. , Sun Xuping
Published: September 2014

Iron is the cheapest and one of the most abundant transition metals. Natural [FeFe]‐hydrogenases exhibit remarkably high activity in hydrogen evolution, but they suffer from high oxygen sensitivity and difficulty in scale‐up. Herein, an FeP nanowire array was developed on Ti plate (FeP NA/Ti) from its β‐FeOOH NA/Ti precursor through a low‐temperature phosphidation reaction. When applied as self‐supported 3D hydrogen evolution cathode, the FeP NA/Ti electrode shows exceptionally high catalytic activity and good durability, and it only requires overpotentials of 55 and 127 mV to afford current densities of 10 and 100 mA cm2, respectively. The excellent electrocatalytic performance is promising for applications as non‐noble‐metal HER catalyst with a high performance–price ratio in electrochemical water splitting for large‐scale hydrogen fuel production.
Conjugated‐Protein Mimics with Molecularly Imprinted Reconstructible and Transformable Regions that are Assembled Using Space‐Filling Prosthetic Groups
Authors: Takeuchi Toshifumi , Mori Takuya , Kuwahara Atsushi , Ohta Takeo , Oshita Azusa , Sunayama Hirobumi , Kitayama Yukiya , Ooya Tooru
Published: September 2014

Conjugated‐protein mimics were obtained using a new molecular imprinting strategy combined with post‐imprinting modifications. An antibiotic was employed as a model template molecule, and a polymerizable template molecule was designed, which was composed of the antibiotic and two different prosthetic groups attached through a disulfide bond and Schiff base formation. After co‐polymerization with a cross‐linker, the template molecule was removed together with the prosthetic groups, yielding the apo‐type scaffold. Through conjugation of the two different prosthetic groups at pre‐determined positions within the apo‐type scaffold, the apo cavity was transformed into a functionalized holo cavity, which enables the on/off switching of the molecular recognition ability, signal transduction activity for binding events, and photoresponsive activity.
Hoch Zinn‐selektive Stille‐Kupplung: Polymersynthese mit einem Stannol in der Hauptkette
Authors: Linshoeft Julian , Baum Evan J. , Hussain Andreas , Gates Paul J. , Näther Christian , Staubitz Anne
Published: September 2014

Die Einbringung von Gruppe‐14‐Metallolen in halbleitende Polymere führt zu ungewöhnlichen optoelektronischen Eigenschaften. Polymere mit Stannol‐Einheiten waren bisher jedoch nicht zugänglich. Wir berichten über eine Syntheseroute zu einem wohldefinierten stannolhaltigen Polymer, dem ersten Beispiel dieser Klasse von π‐konjugierten Polymeren. Dies wurde erreicht durch die Entwicklung doppelt funktionalisierter Stannol‐Monomere und durch eine hochselektive Stille Kupplungsreaktion, welche das Zinn im Stannol unberührt lässt. Im Vergleich mit Poly(3‐n‐hexylthiophen) zeigt die Absorption des erhaltenen Polymers eine bemerkenswerte bathochrome Verschiebung.
Copper‐Catalyzed Oxidative Dimerizations of 3‐N‐Hydroxy‐aminoprop‐1‐enes to form 1,4‐Dihydroxy‐2,3‐diaminocyclohexanes with C2 Symmetry
Authors: Ghorpade Satish , Liu Rai‐Shung
Published: September 2014

This work describes the one‐step construction of complex and important molecular frameworks through copper‐catalyzed oxidations of cheap tertiary amines. Copper‐catalyzed aerobic oxidations of N‐hydroxyaminopropenes to form C2‐symmetric N‐ and O‐functionalized cyclohexanes are described. Such catalytic oxidations proceed with remarkable stereocontrol and high efficiency. Reductive cleavage of the two NO bonds of these products delivers 1,4‐dihydroxy‐2,3‐diaminocyclohexanes, which are important skeletons of several bioactive molecules.
Catalytic Enantioselective Synthesis of Atropisomeric Biaryls: A Cation‐Directed Nucleophilic Aromatic Substitution Reaction
Authors: Armstrong Roly J. , Smith Martin D.
Published: September 2014

A catalytic enantioselective nucleophilic aromatic substitution reaction which yields axially chiral biaryl derivatives in excellent yields with e.r. values of up to 97:3 has been developed. This process uses a chiral counterion to direct the addition of thiophenolate to a prochiral dichloropyrimidine by a tandem desymmetrization/kinetic resolution mechanism. The products can be derivatized to a range of atropisomeric structures without any reduction in enantioenrichment, thus offering access to unexplored chiral biaryl architectures.
Nickel(0)‐Catalyzed Enantioselective Annulations of Alkynes and Arylenoates Enabled by a Chiral NHC Ligand: Efficient Access to Cyclopentenones
Authors: Ahlin Joachim S. E. , Donets Pavel A. , Cramer Nicolai
Published: September 2014

Cyclopentenones are versatile structural motifs of natural products as well as reactive synthetic intermediates. The nickel‐catalyzed reductive [3+2] cycloaddition of α,β‐unsaturated aromatic esters and alkynes constitutes an efficient method for their synthesis. Here, nickel(0) catalysts comprising a chiral bulky C1‐symmetric N‐heterocyclic carbene ligand were shown to enable an efficient asymmetric synthesis of cyclopentenones from mesityl enoates and internal alkynes under mild conditions. The bulky NHC ligand provided the cyclopentenone products in very high enantioselectivity and led to a regioselective incorporation of unsymmetrically substituted alkynes.
PdII Complexes of [44]‐ and [46]Decaphyrins: The Largest Hückel Aromatic and Antiaromatic, and Möbius Aromatic Macrocycles
Authors: Yoneda Tomoki , Sung Young Mo , Lim Jong Min , Kim Dongho , Osuka Atsuhiro
Published: September 2014

Reductive metalation of [44]decaphyrin with [Pd2(dba)3] provided a Hückel aromatic [46]decaphyrin PdII complex, which was readily oxidized upon treatment with DDQ to produce a Hückel antiaromatic [44]decaphyrin PdII complex. In CH2Cl2 solution the latter complex underwent slow tautomerization to a Möbius aromatic [44]decaphyrin PdII complex which exists as a mixture of conformers in dynamic equilibrium. To the best of our knowledge, these three PdII complexes represent the largest Hückel aromatic, Hückel antiaromatic, and Möbius aromatic complexes to date.
Inkjet Printing and Instant Chemical Transformation of a CH3NH3PbI3/Nanocarbon Electrode and Interface for Planar Perovskite Solar Cells
Authors: Wei Zhanhua , Chen Haining , Yan Keyou , Yang Shihe
Published: September 2014

A planar perovskite solar cell that incorporates a nanocarbon hole‐extraction layer is demonstrated for the first time by an inkjet printing technique with a precisely controlled pattern and interface. By designing the carbon plus CH3NH3I ink to transform PbI2 in situ to CH3NH3PbI3, an interpenetrating seamless interface between the CH3NH3PbI3 active layer and the carbon hole‐extraction electrode was instantly constructed, with a markedly reduced charge recombination compared to that with the carbon ink alone. As a result, a considerably higher power conversion efficiency up to 11.60 % was delivered by the corresponding solar cell. This method provides a major step towards the fabrication of low‐cost, large‐scale, metal‐electrode‐free but still highly efficient perovskite solar cells.
Styryl silsesquioxane photoresist
Authors: Sugita Hikaru , Tanaka Kei , Shirato Kaori , Yamamoto Ryota , Tateshima Kazuko
Published: September 2014

There is a substantial need for photopattern‐able, heat resistant, and transparent materials that are applicable to electronic devices, such as imaging or display elements. Styryl silsesquioxane based photoresist forms thin micro patterns after i‐line exposure and alkaline development, and the resulting transparent film shows remarkable heat resistance. Radicals generated from a photoinitiator induce polymerization of styryl functionality in the photoresist film to form the micropatterns. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41459.
Development and oxygen scavenging performance of three‐layer active PET films for food packaging
Authors: Di Maio Luciano , Scarfato Paola , Galdi Maria Rosaria , Incarnato Loredana
Published: September 2014

Polymeric active materials represent an innovative food packaging concept that has been introduced to improve the quality of foods and to enhance their shelf life. In this article, the effect of the inclusion of an oxygen scavenger in a polymeric matrix, realizing multilayer active polyester films by coextrusion process, is analyzed. In particular, three layer active films, at different mass ratios of the layers, were produced to form symmetrical "ABA" structures comprising polyethylene terephthalate (PET) with a polymeric oxygen scavenger (OS) as core layer and pure PET as external layers. Oxygen scavenging tests conducted on the multilayer active structures have pointed out the role of the relative layer thickness in controlling the scavenging capacity, the activity time and the oxygen absorption rate. A modeling of the scavenging phenomena, which combines a quasi steady‐state distribution in the skin layers with a flat profile of O2content in the active core layer, can explain the experimentally observed oxygen absorption rate at short times. Moreover, steady state oxygen transport measurements, performed when the scavenger reactive capacity is exhausted, have shown that the presence of the active phase slightly reduces the O2permeability, compared with the neat PET. The effect, which progressively increases with the amount of active phase in the film formulation, was related to the different morphological state developed on processing. Finally, preliminary shelf life tests on fresh‐cut untreated apples suggest that the developed three layer active films have a significant potential in the shelf‐life extension of oxygen sensitive food products. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2015,132, 41465.
Experimental and simulative investigation into the mechanical behaviors of polypropylene with craze damage in different weakening processes
Authors: Wang Zijian , He Wenting , Hu Xiao , Zhang Yisheng
Published: September 2014

This article focused on the experimental and simulative investigation into the mechanical behaviors of polypropylene (PP) at different strain rates. With the aim to describe the crazing yielding of PP, an elastoviscoplastic constitutive model with damage behavior was established and embedded into the finite element codes in the Abaqus platform. The simulation results are in good accordance with the experimental ones. Moreover, the influence of different weakening processes on the material properties was explored. In comparison to the nonweakened specimen, the weakened specimen exhibited nonlinear yielding properties under lower stress. Noteworthily, the integral strength of the weakened specimen proves to be linearly dependent on the cross‐section area of the weakening zone. Eventually, the damage model of simplified dashboard was utilized to study the damage law of the dashboard with V‐shaped weakening line. Results show the crack initially emerged at the weakening line and then rapidly expanded till the ends of the damage, which satisfied the damage requirements of practical dashboard. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41475.
Clay‐Assisted dispersion of carbon black in thermoplastic nanocomposites
Authors: Sharma Pankaj , Panwar Vinay , Pal Kaushik
Published: September 2014

The poor dispersion of carbon black (CB) in thermoplastic polymers has provided a space for improving the various properties of nanocomposites. In this study, nanoclay (NC) was introduced into CB/thermoplastic composites to improve the dispersion of CB and, finally, to improve the thermal or mechanical performance. We noticed that there was a simultaneous enhancement in the mechanical and thermal performances of the nanocomposites because of the combination of the NC and CB. The information obtained from the mechanical and thermal studies indicated that the properties were improved to an appreciable extent because of the plastic–plastic/CB/NC combination. The tensile strength of polycarbonate (PC) was observed to be enhanced by 9.4% only because of the addition of CB, although when poly(methyl methacrylate) (PMMA) was used as a matrix material along with PC, the tensile strength improved by 25%, although the tensile strength of PMMA is much lower than that of PC. This confirmed that the tensile properties of the polymer composites also depended on the plastic–plastic interaction phenomenon. Moreover, the tensile strengths of the different blended nanocomposites system increased by around 42.5% with the addition of NC. A significant improvement of 22% was achieved in the thermal stability of the PMMA composites with the addition of CB. However, the addition of NC provided further improvement in the thermal decomposition temperature by only 3.7%. This showed that the thermal stability of the polymer nanocomposites was slightly affected by the addition of NC. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41477.
Dynamic mechanical analysis of barium ferrite magnetic tapes with aramid and poly(ethylene naphthalate) substrates
Authors: Berry Robert D. , Weick Brian L.
Published: September 2014

Frequency‐ and temperature‐dependent viscoelastic characteristics of advanced materials used for high‐capacity digital magnetic tapes were analyzed using a custom ultra‐low frequency dynamic mechanical analyzer (ULDMA). The magnetic tapes studied both use barium ferrite (BaFe) magnetic particles. One tape uses an aromatic poly(amide) or aramid substrate, and the other tape uses a poly(ethylene naphthalate) or PEN substrate. ULDMA studies were performed for both types of tape materials using samples cut from reels and the substrates after the front and back coats were removed. Two‐hour experiments were performed at 25, 30, 50, and 70°C temperatures, and four test frequencies were used at each temperature: 0.006, 0.010, 0.033, and 0.065 Hz. Properties determined were the peak strain‐based elastic modulus, E, and the storage modulus, E′, loss modulus, E″, loss tangent, tan(δ), complex modulus, E*, and complex loss, E″/E*, expressed as a percentage. When compared with the PEN tape and substrate materials, the peak elastic modulus, storage modulus, and complex modulus were higher for the aramid materials. Substrates for each material exhibited higher elastic, storage, and complex moduli compared with their respective tapes. Through the complex loss percentage, comparisons were made between the aramid and PEN materials related to their viscoelastic characteristics. Finally, the influence of frequency was shown to have increasing relevance at higher temperatures, with the PEN tape and substrate exhibiting an increase in complex loss modulus in the 50°C range because of the β* secondary transition. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41478.
Influence of liquid isoprene on rheological behavior and mechanical properties of polyisoprene rubber
Authors: Ren Yueqing , Zhao Suhe , Li Qianqian , Zhang Xingying , Zhang Liqun
Published: September 2014

Prevention of plasticizer leaching from polymers has been a difficult task. Conventional oily plasticizers (COPs) often migrate from rubber matrix, leading to a poor stability of rubber products and serious environmental problem during long‐term use. In the present study, liquid isoprene (LIP) with appropriate molecular weight and no migration was prepared by anionic polymerization. The effects of LIP on the comprehensive properties of carbon black filled polyisoprene rubber (CB/IR) composites were compared with those of one COP, naphthenic oil (NPO). The results showed that LIP reduced the Mooney viscosity and apparent viscosity, and improved the processability of CB/IR composites. LIP improved the mixing efficiency and the dispersion of the CB particles because its compatibility with CB/IR composites was higher than the compatibility of NPO and CB/IR composites. Furthermore, LIP did not migrate from the CB/IR composites because of its participation in the vulcanization reaction. Compared with CB/IR/NPO composites, CB/IR/LIP composites possessed higher mechanical properties, better aging resistance and long‐term dimensional stability. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41485.
Genome‐wide mapping of copy number variations in patients with both anorectal malformations and central nervous system abnormalities
Authors: Dworschak Gabriel C. , Draaken Markus , Hilger Alina C. , Schramm Charlotte , Bartels Enrika , Schmiedeke Eberhard , Grasshoff‐Derr Sabine , Märzheuser Stefanie , Holland‐Cunz Stefan , Lacher Martin , Jenetzky Ekkehart , Zwink Nadine , Schmidt Dominik , Nöthen Markus M. , Ludwig Michael , Reutter Heiko
Published: September 2014

Background: Anorectal malformations (ARM) have a prevalence of around 1 in 2500 live births. In around 50% of patients, the malformation is isolated, while in the remainder it arises within the context of complex genetic abnormalities or a defined genetic syndrome. Recent studies have implicated rare copy number variations (CNVs) in both isolated and nonisolated ARM, and identified plausible candidate genes. Methods: In the present study, array‐based molecular karyotyping was performed to identify causative CNVs in 32 sporadic ARM patients with comorbid abnormalities of the central nervous system (CNS). This phenotype was selected to enrich for rare CNVs, since previous research has implicated rare CNVs in both CNS abnormalities and ARM. Results: In five patients, a probable disease‐causing CNV was identified (del6q14.3q16.3, del14q32.2, del17q12q21.2, and two patients with del22q11.21). In three of these patients, the CNVs were de novo. For the remaining two patients, no parental DNA was available. Deletions at 22q11.21 and 6q14.3 have been associated with both CNS abnormalities and ARM. In contrast, deletions at 14q32.2 have only been described in patients with CNS abnormalities, and the del17q12q21.2 is a novel CNV. Expression studies in mice suggest thatNEUROD2andRARA, which reside within the newly identified del17q12q21.2 region, are candidate genes for the formation of microcephaly and ARM. Conclusion: The present data suggest that CNVs are a frequent cause of the ARM with CNS abnormalities phenotype, and that array‐analysis is indicated in such patients. Birth Defects Research (Part A) 103:235–242, 2015. © 2014 Wiley Periodicals, Inc.
Rational Electrostatic Design of Easy‐Axis Magnetic Anisotropy in a ZnII–DyIII–ZnII Single‐Molecule Magnet with a High Energy Barrier
Authors: Oyarzabal Itziar , Ruiz José , Seco José Manuel , Evangelisti Marco , Camón Agustín , Ruiz Eliseo , Aravena Daniel , Colacio Enrique
Published: September 2014

Two novel trinuclear complexes [ZnCl(μ‐L)Ln(μ‐L)ClZn][ZnCl3(CH3OH)]⋅3 CH3OH (LnIII=Dy (1) and Er (2)) have been prepared from the compartmental ligand N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3‐formyl‐5‐bromo‐benzyl)ethylenediamine (H2L). X‐ray studies reveal that LnIII ions are coordinated by two [ZnCl(L)]− units through the phenoxo and aldehyde groups, giving rise to a LnO8 coordination sphere with square‐antiprism geometry and strong easy‐axis anisotropy of the ground state. Ab initio CASSCF+RASSI calculations carried out on 1 confirm that the ground state is an almost pure MJ=±15/2 Kramers doublet with a marked axial anisotropy, the magnetic moment is roughly collinear with the shortest DyO distances. This orientation of the local magnetic moment of the DyIII ion in 1 is adopted to reduce the electronic repulsion between the oblate electron shape of the MJ=±15/2 Kramers doublet and the phenoxo‐oxygen donor atoms involved in the shortest DyO bonds. CASSCF+RASSI calculations also show that the ground and first excited states of the DyIII ion are separated by 129 cm−1. As expected for this large energy gap, compound 1 exhibits, in a zero direct‐current field, thermally activated slow relaxation of the magnetization with a large Ueff=140 K. The isostructural Zn–Er–Zn species does not present significant SMM behavior as expected for the prolate electron‐density distribution of the ErIII ion leading to an easy‐plane anisotropy of the ground doublet state.
On the Mechanism of the Palladium Bis(NHC) Complex Catalyzed CH Functionalization of Propane: Experiment and DFT Calculations
Authors: Munz Dominik , Strassner Thomas
Published: September 2014

We report a detailed mechanistic study on the CH functionalization of alkanes by palladium complexes with chelating bis(N‐heterocyclic carbene) (NHC) complexes. The experimental results are complemented by detailed DFT calculations, which allow us to rationalize the regioselectivity and the catalytic activity. The study includes a library of catalysts with different electronic and steric properties, kinetic data, and isotope effects. The combined experimental and computational results favor a mechanism involving organometallic palladium(IV) intermediates. Furthermore, it is shown that at high halide loadings a different mechanism is operative.
ChemInform Abstract: Deformation Induced Solid—Solid Phase Transitions in Gamma Boron.
Authors: An Qi , Goddard William A. III , Xiao Hai , Cheng Tao
Published: September 2014

Three new polymorphs of boron are predicted by applying DFT (Perdew—Burke—Ernzerhof) calculations using the projector augmented wave method to large shear deformations starting from the recently discovered γ‐B28 boron phase (stable above 9 GPa and 1000 K).
ChemInform Abstract: Na4La2(CO3)5 and CsNa5Ca5(CO3)8: Two New Carbonates as UV Nonlinear Optical Materials.
Authors: Luo Min , Wang GenXiang , Lin Chensheng , Ye Ning , Zhou Yuqiao , Cheng Wendan
Published: September 2014

Compounds (IV) and (VII) are characterized by single crystal XRD, UV/VIS diffuse reflectance spectroscopy, second harmonic generation measurements, and DFT electronic structure calculations.
ChemInform Abstract: Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single‐Particle‐Diagnosis Approach.
Authors: Hirosaki Naoto , Takeda Takashi , Funahashi Shiro , Xie Rong‐Jun
Published: September 2014

A high‐speed single‐particle‐diagnosis method is reported for the discovery of new phosphors by just characterizing a luminescent crystalline particle of 10 μm in diameter.
ChemInform Abstract: Isolation of Bio‐Mesoporous Silica from Rice Husk.
Authors: He Jia‐Rung , Kuo Wei‐Chiao , Su Chi‐Shen , Lin Hong‐Ping
Published: September 2014

Mesoporous silica with a high surface area of about 200 m2/g and pore size of around 6.0 nm are isolated from agricultural wastes such as rice husk and horsetail grass by hydrothermal treatment with citric acid (60—100 °C, up to 24 h) followed by calcination at 600—700 °C for 3 h.
ChemInform Abstract: Synthesis and Characterization of a New Keggin Anion: [BeW12O40]6‐.
Authors: Anyushin Alexander V. , Smolentsev Anton I. , Mainichev Dmitry A. , Vicent Cristian , Gushchin Artem L. , Sokolov Maxim N. , Fedin Vladimir P.
Published: September 2014

The title anion is hydrothermally synthesized from an aqueous solution of Na2WO4, Be(NO3)2, and HNO3 (Parr digestion bomb, pH 3.5, 160 °C, 7 d) followed by filtration.
ChemInform Abstract: Rapid Microwave Synthesis and Structural Phase Diagram of LnxY1‐xMnO3.
Authors: Marlton Fred P. , Goossens Darren J. , White Reyner , Hutchison Wayne D.
Published: September 2014

Polycrystalline 1 g samples of Y1‐xLnxMnO3 (Ln: La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb, In; x = 0—0.5) are prepared by solid state reaction of stoichiometric amounts of Y2O3, MnO2, and Ln2O3 or Pr6O11 (microwaves, 800—1400 °C, 30—100 min).
ChemInform Abstract: Designing Polar and Magnetic Oxides: Zn2FeTaO6 — In Search of Multiferroics.
Authors: Li Man‐Rong , Stephens Peter W. , Retuerto Maria , Sarkar Tapati , Grams Christoph P. , Hemberger Joachim , Croft Mark C. , Walker David , Greenblatt Martha
Published: September 2014

The new polar and magnetic LiNbO3‐type title compound is obtained from stoichiometric mixtures of ZnO, Fe2O3, and Ta2O5 under high pressure (multi‐anvil press, 9 GPa, 1623 K, 1 h).
ChemInform Abstract: Palladium(0)‐Catalyzed Methylenecyclopropanation of Norbornenes with Vinyl Bromides.
Authors: Mao Jiangang , Bao Weiliang
Published: September 2014

A novel and efficient Pd(0)‐catalyzed [2 + 1] cycloaddition of vinyl bromides with norbornene derivatives is developed to synthesize polycyclic methylenecyclopropane derivatives.
ChemInform Abstract: Silver Nitrate‐Catalyzed Selective Air Oxidation of Benzylic and Allylic Alcohols to Corresponding Aldehydes or Ketones.
Authors: Wang Jiayi , Li Yuan , Peng Yanqing , Song Gonghua
Published: September 2014

Primary and secondary allylic and benzylic alcohols are selectively oxidized, whereas the corresponding aliphatic alcohols are generally unreactive.
ChemInform Abstract: Catalytic anti‐Markovnikov Hydrobromination of Alkynes.
Authors: Uehling Mycah R. , Rucker Richard P. , Lalic Gojko
Published: September 2014

The first catalytic method for anti‐Markovnikov hydrobromination of alkynes is developed.
ChemInform Abstract: Reactivity of tert‐Butanesulfinamides in Palladium‐Catalyzed Allylic Substitutions.
Authors: Mistico Laetitia , Ay Emel , Huynh Vaizanne , Bourderioux Aurelie , Chemla Fabrice , Ferreira Franck , Oble Julie , Perez‐Luna Alejandro , Poli Giovanni , Prestat Guillaume
Published: September 2014

The process can not be applied to 1,1′,2‐trisubstituted alkenes such as prenyl carbonate which does not react.
ChemInform Abstract: Metallophthalocyanine‐Catalyzed Cyclopropanation.
Authors: Ventura Dominic L. , Kubiak Robert W. II
Published: September 2014

Copper phthalocyanine is used as catalyst in the cyclopropanation reaction of styrenes with methyl aryl(diazo)acetates.
ChemInform Abstract: Gold‐Catalyzed Enantioselective Ring‐Expanding Cycloisomerization of Cyclopropylidene Bearing 1,5‐Enynes.
Authors: Zheng Hongchao , Felix Ryan J. , Gagne Michel R.
Published: September 2014

The title reaction provides a new approach to bicyclo[4.2.0]octanes, a structural motif present in many biologically active natural products
ChemInform Abstract: A New Enantioselective Synthesis of (S)‐2‐Ethoxy‐3‐(4‐hydroxyphenyl)propanoic Acid Esters (EEHP and IEHP), Useful Pharmaceutical Intermediates of PPAR Agonists.
Authors: Mujahid M. , Kunte S. S. , Muthukrishnan M.
Published: September 2014

The new enantioselective approach to the title compounds (IV) is based on the formation of key intermediate (III) from commercially available racemic epoxide (I).
ChemInform Abstract: Copper‐Catalyzed Olefinic C—H Difluoroacetylation of Enamides.
Authors: Caillot Gilles , Dufour Jeremy , Belhomme Marie‐Charlotte , Poisson Thomas , Grimaud Laurence , Pannecoucke Xavier , Gillaizeau Isabelle
Published: September 2014

The regioselective Cu‐catalyzed radical free synthesis of β‐difluoroester substituted enamides is described.
ChemInform Abstract: Organocatalytic Atroposelective Aldol Condensation: Synthesis of Axially Chiral Biaryls by Arene Formation.
Authors: Link Achim , Sparr Christof
Published: September 2014

A novel strategy for the atroposelective synthesis of 1,1′‐binaphthalene‐2‐carbaldehydes with excellent stereoselectivity is presented using precursors (I) in the presence of L‐proline derived tetrazole as catalyst.
ChemInform Abstract: Synthesis of Dibenzocyclohepten‐5‐ones by Electrophilic Iodocyclization of 1‐([1,1′‐Biphenyl]‐2‐yl)alkynones.
Authors: Chen Yu , Huang Chenlong , Liu Xiaochen , Perl Eliyahu , Chen Zhiwei , Namgung Jieun , Subramaniam Gopal , Zhang Gan , Hersh William H.
Published: September 2014

A facile method to prepare dibenzocyclohepten‐5‐ones, the core structure of allocolchicine, is reported.
ChemInform Abstract: Dimerization Behavior of Substituted Bicyclo[3.1.0]hex‐1‐ene Derivatives.
Authors: Zheng Jun‐Cheng , Liu Huaqing , Lee Nam‐Kyu , Lee Daesung
Published: September 2014

The dimerization of in situ generated bicyclo[3.1.0]hex‐1‐enes is described with respect to formation of the compounds of type (III).
ChemInform Abstract: Ligand‐Promoted Asymmetric Imino‐Reformatsky Reaction of Ethyl Dibromofluoroacetate.
Authors: Tarui Atsushi , Nishimura Haruka , Ikebata Takeshi , Tahira Asuka , Sato Kazuyuki , Omote Masaaki , Minami Hideki , Miwa Yoshihisa , Ando Akira
Published: September 2014

The enantiopure synthesized bromolactams can be further converted to α‐aryl‐β‐lactams (V) by asymmetric Ni‐catalyzed Kumada coupling in good yields.
ChemInform Abstract: Regiocontrolled Palladium‐Catalyzed Direct Arylation at Carbon C2 of Benzofurans Using Benzenesulfonyl Chlorides as the Coupling Partners.
Authors: Loukotova Lenka , Yuan Kedong , Doucet Henri
Published: September 2014

A new protocol for the selective C2 arylation of benzofuran derivatives is developed.
ChemInform Abstract: Nine of 16 Stereoisomeric Polyhydroxylated Proline Amides Are Potent β‐N‐Acetylhexosaminidase Inhibitors.
Authors: Ayers Benjamin J. , et al. et al.
Published: September 2014

16 Stereoisomeric polyhydroxylated proline amides are prepared.
ChemInform Abstract: Lewis Acid‐Catalyzed Cascade Radical Addition/Cyclization for the Synthesis of 3‐Substituted Isoindolin‐1‐one Derivatives.
Authors: Zhang Lianjin , Kim Jin Bum , Jang Doo Ok
Published: September 2014

Yb(OTf)3‐catalyzed cascade radical addition reactions of 2‐formylbenzoate‐derived hydrazones with alkyl iodides give 2‐amino‐3‐alkylisoindolin‐1‐ones.
ChemInform Abstract: Ruthenium‐ and Rhodium‐Catalyzed Dehydrogenative ortho‐Alkenylation of Benzylamines via Free Amino Group Directed C—H Bond Cleavage.
Authors: Suzuki Chiharu , Morimoto Keisuke , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: September 2014

Benzylamines react with acrylates in the presence of ruthenium catalyst to give (isoindol‐1‐yl)acetic acid derivatives via free amino‐directed ortho‐alkenylation and successive domino cyclization.
ChemInform Abstract: Tandem Diels—Alder/Coupling Reaction Involving Two Arynes: Highly Stereoselective Synthesis of Dihydronaphtho‐Fused Oxindole.
Authors: Su Shikuan , Wang Ning , Li Chunju , Song Boyi , Jia Xueshun , Li Jian
Published: September 2014

The reaction is sensitive to the steric effects of the aromatic substituents at the double bond in the substrates.
ChemInform Abstract: Asymmetric Catalysis on the Nanoscale: The Organocatalytic Approach to Helicenes.
Authors: Koetzner Lisa , Webber Matthew J. , Martinez Alberto , De Fusco Claudia , List Benjamin
Published: September 2014

The first asymmetric synthesis of chiral helicenes catalyzed by a novel phosphoric acid via the Fischer indole reaction is reported.
ChemInform Abstract: Chemoselective Reduction of Functionalized 5‐Nitroisoxazoles: Synthesis of 5‐Amino‐ and 5‐[Hydroxy(tetrahydrofuran‐2‐yl)amino]isoxazoles.
Authors: Averina Elena B. , Vasilenko Dmitry A. , Samoilichenko Yuri V. , Grishin Yuri K. , Rybakov Victor B. , Kuznetsova Tamara S. , Zefirov Nikolay S.
Published: September 2014

The 5‐nitroisoxazoles are easily prepared from the corresponding olefines and tetranitromethane.
ChemInform Abstract: Stereochemical Aspects and the Synthetic Scope of the SHi at the Sulfur Atom. Preparation of Enantiopure 3‐Substituted 2,3‐Dihydro‐1,2‐benzoisothiazole 1‐Oxides and 1,1‐Dioxides.
Authors: Fernandez‐Salas Jose A. , Rodriguez‐Fernandez M. Mercedes , Maestro M. Carmen , Garcia‐Ruano Jose L.
Published: September 2014

An efficient method to obtain enantiopure 3‐substituted benzosulfinamides and sulfonamides from N‐tert‐butanesulfinylimines is described.
ChemInform Abstract: Intermolecular Domino Reaction of Two Aryl Iodides Involving Two C—H Functionalizations.
Authors: Sickert Marcel , Weinstabl Harald , Peters Brendan , Hou Xiao , Lautens Mark
Published: September 2014

A wide range of polycyclic compounds is constructed through dimerization or a domino reaction of the two different aryl iodides.
ChemInform Abstract: Redox‐Neutral α,β‐Difunctionalization of Cyclic Amines.
Authors: Chen Weijie , Kang YoungKu , Wilde Richard G. , Seidel Daniel
Published: September 2014

Polycyclic N,O‐acetals are formed from cyclic amines under microwave irradiation.
ChemInform Abstract: Directed Ruthenium‐Catalyzed C(sp3)—H α‐Alkylation of Cyclic Amines Using Dioxolane‐Protected Alkenones.
Authors: Kulago Artem A. , Van Steijvoort Ben F. , Mitchell Emily A. , Meerpoel Lieven , Maes Bert U. W.
Published: September 2014

The pyridin‐2‐yl group is found to be an efficient directing group for the ruthenium catalyzed α‐alkylation of cyclic amines using dioxolane protected alkenones (II) and (XVII) or ester (XX).
ChemInform Abstract: Transition‐Metal‐Catalyzed C—H Bond Functionalizations: Feasible Access to a Diversity‐Oriented β‐Carboline Library.
Authors: Wu Ningjie , Song Feijie , Yan Lipeng , Li Juan , You Jingsong
Published: September 2014

Three strategies for regioselective functionalization of β‐carbolines by metal‐catalyzed C—C bond formation reactions are developed.