bluuebunny/crossref_metadata_2025 huggingface dataset:
Copper in Brain and Neurodegeneration
Authors: Liddell Jeffrey R. , Bush Ashley I. , White Anthony R.
Published: December 2013

Cu is an essential element for the brain. It is involved in neurotransmission and is required for several cuproenzymes of the brain. Cu deficiency and Cu excess are associated with Menkes disease and Wilson's disease, respectively, and the importance of Cu in the brain is amply illustrated by the severe neurological symptoms elicited by these diseases. Disruption of Cu homeostasis is also evident in complex neurodegenerative diseases and is implicated in their pathogenesis. Cu influences the regulation and aggregation of key Alzheimer's disease (AD) neuropathological proteins such as amyloid precursor protein, amyloid‐β, and tau. Parkinson's disease (PD) is associated with a decreased Cu content of the substantia nigra, the brain region that is affected in the disease. Cu also promotes the aggregation of α‐synuclein, the predominant protein present in the characteristic Lewy bodies ofPDbrain, and huntingtin, found in inclusions in Huntington's disease. MutantSOD1is thought to have a toxic gain of function in amyotrophic lateral sclerosis, possibly caused by Zn‐deficientCuSOD1. Niemann‐Pick type C disease (NPC) is caused by mutations in theNPCgene, giving rise to impairedNPCprotein. Evidence suggests thatNPCmay be involved in Cu metabolism. The involvement of Cu in these diseases is highlighted by the efficacy of therapeutics targeting the redistribution of Cu. Cu ionophores such as clioquinol andPBT2bind endogenous Cu, transport it into cells and induce multiple cellular pathways. InAD, these ionophores likely sequester Cu bound to amyloid‐β plaques. Preformed bis(thiosemicarbazone)‐Cu complexes deliver exogenous Cu into the brain and induce similar pathways to the ionophores. These Cu complexes have shown efficacy in animal models of several neurodegenerative diseases, and the cellular pathways induced are being elucidated. These therapeutic outcomes, together with improved resolution of techniques for identifying Cu distribution in brain cells, are providing valuable new insights into the role of Cu in neuronal and glial cell homeostasis.
Molybdenum Cofactor Biosynthesis and Cross Talk with Iron–Sulfur
Authors: Bittner Florian , Mendel Ralf R.
Published: December 2013

The transition element molybdenum (Mo) is essential for (nearly) all biological systems, as it is required by enzymes catalyzing diverse key reactions in global carbon, sulfur, and nitrogen metabolism. The metal itself is biologically inactive unless it is complexed by a special cofactor. With the exception of bacterial nitrogenase, where Mo is a constituent of the FeMo‐cofactor, Mo is bound to a pterin, thus forming the molybdenum cofactor (Moco), which is the active compound at the catalytic site of all other Mo‐enzymes. Moco consists of a mononuclear Mo atom coordinated via a
cis
‐dithiolene moiety to the organic molecule molybdopterin. In eukaryotes, the most prominent Mo‐enzymes are nitrate reductase (NR), sulfite oxidase (SO), xanthine oxidoreductase (XOR), aldehyde oxidase (AO), and the mitochondrial amidoxime reductase. The biosynthesis of Moco is best understood in plants and humans and involves the complex interaction of six proteins in a process of four steps, requiring GTP, iron, magnesium, zinc, sulfur, ATP, and copper. While the last three steps occur in the cytosol, the first step was found to proceed in the mitochondria, where a specific ABC transporter, originally implicated in the maturation of extramitochondrial iron–sulfur proteins, is also involved in the export of the first intermediate of Moco biosynthesis to the cytosol. A deficiency in the biosynthesis of Moco has lethal consequences for the respective organisms because of the simultaneous activity loss of all Mo‐enzymes. Moco as released after synthesis is distributed to the apoproteins of Mo‐enzymes by Moco‐carrier/binding proteins. XOR and AO (but not SO, NR, and the mitochondrial amidoxime reductase) require the sulfuration of their Mo‐center by a Moco‐sulfurase enzyme in order to become active. Besides the mitochondrial ABC‐type transporter and the fact that some of the Mo‐enzymes and enzymes of step 1 of Moco synthesis depend on iron–sulfur clusters, a tight connection of Mo‐metabolism to iron–sulfur cluster synthesis results from recruitment of specific mechanisms that are typical for iron–sulfur cluster synthesis. Such mechanisms involve the mobilization of sulfur by desulfurization of free
l
‐cysteine in a pyridoxal‐phosphate‐dependent manner and subsequent formation of a Mo‐sulfur center on a scaffold domain before insertion into the respective apo‐target enzymes.
Copper Conversion into Cu(OH)2 Nanotubes for Positioning Cu3(BTC)2 MOF Crystals: Controlling the Growth on Flat Plates, 3D Architectures, and as Patterns
Authors: Okada Kenji , Ricco Raffaele , Tokudome Yasuaki , Styles Mark J. , Hill Anita J. , Takahashi Masahide , Falcaro Paolo
Published: December 2013

A new approach for the fabrication of homogeneous HKUST‐1 [Cu3(BTC)2] coatings on copper metal plates, 3D objects, and as patterns, is here proposed. The conversion can be performed at room temperature in approximately 30 minutes using an aqueous ethanolic mixture. The two step conversion mechanism occurs via the formation of Cu(OH)2 nanotubes. Microscopic time‐course monitoring reveals the conversion steps. The adhesion of the metal organic‐framework (MOF) crystals, as well as the functional properties of the resulting supported catalyst, are successfully tested. The versatility of the conversion mechanism on different metal copper substrates is investigated as well; in particular, a photolithography protocol is proposed for the preparation of MOF patterns. This protocol offers several features (short processing time, applicability to any copper metal object, low cost of the equipment, room temperature conditions) that would make it favorable for basic research and industrial exploitation of MOF capabilities.
Phosphine‐Promoted Cyclization of Dicyclopropenones
Authors: Yang Jin‐Ming , Tang Xiang‐Ying , Wei Yin , Shi Min
Published: December 2013

A novel phosphine‐promoted intramolecular cyclization of dicyclopropenones 1 has been described in this contribution. A variety of 2,3‐dihydro‐1H‐indene‐4,6‐diol derivatives 2 and hexahydropentalen‐2‐one derivatives 3 were obtained selectively in moderate to good yields under mild conditions through different phosphine‐promoted reactions.

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A case of pancreatic agenesis and congenital heart defects with a novel GATA6 nonsense mutation: Evidence of haploinsufficiency due to nonsense‐mediated mRNA decay
Authors: Suzuki Shigeru , Nakao Atsushi , Sarhat Ashoor R. , Furuya Akiko , Matsuo Kumihiro , Tanahashi Yusuke , Kajino Hiroki , Azuma Hiroshi
Published: December 2013

Recently, GATA6 heterozygous loss‐of‐function mutations were reported to cause pancreatic agenesis and congenital heart defects (PACHD [OMIM:600001]). However, the molecular mechanisms resulting from premature termination codons have not been examined in this disorder. The objective of this study was to perform a genetic analysis of a patient with PACHD. A female patient presented with ventricular septal defect, patent ductus arteriosus, and congenital diaphragmatic hernia at birth. Permanent neonatal diabetes mellitus and pancreatic exocrine deficiency due to pancreatic agenesis was diagnosed at 1 month of age. PCR‐direct sequencing of GATA6 revealed that the patient is heterozygous for a novel de novo nonsense mutation of c.1477C>T, p. Arg493X in exon 5. RT‐PCR direct sequencing of the RT‐PCR products of total RNA from peripheral blood of the patient for the region encompassing exons 4–6 revealed only the wild‐type allele. This finding provides the evidence for the occurrence of nonsense‐mediated mRNA decay (NMD) in the p.Arg493X mutation. Quantitative RT‐PCR analysis revealed that the expression of GATA6 transcript in the patient was less than half compared with normal control samples. This is the first evidence that GATA6 haploinsufficiency is caused by NMD in vivo, and we conclude that GATA6 haploinsufficiency causes not only PACHD but may affect other organs derived from the endoderm. Further screenings of GATA6 mutations in patients with various forms of diabetes and/or congenital heart disease with other visceral malformation may reveal the impact of GATA6 mutations on diabetes and congenital malformation. © 2013 Wiley Periodicals, Inc.
WNT10A mutations also associated with agenesis of the maxillary permanent canines, a separate entity
Authors: Kantaputra P. , Kaewgahya M. , Kantaputra W.
Published: December 2013

Agenesis or isolated hypodontia of the maxillary permanent canines is a very rare dental anomaly. We report on nine unrelated Thai patients with this condition. Three of them had one affected parent. Three heterozygous missense mutations (p.Arg171Cys; p.Gly213Ser; and IVS2+1G>A) were identified in WNT10A in six patients. The p.Gly213Cys mutation was found in four patients. One of the patients who had p.Gly213Ser mutation also had peg‐shaped (microdontia of the) maxillary lateral incisors with dens invaginatus. The mothers of two patients who carried the same mutation as their affected sons (p.Gly213Ser and p.Arg171Cys) had microdontia of the maxillary permanent lateral incisor. Our study has demonstrated for the first time that agenesis of the maxillary permanent canines is a distinct entity, associated with mutations in WNT10A. Inheritance appears to be autosomal dominant. Agenesis of the maxillary permanent canines may accompany by microdontia of the maxillary permanent lateral incisors and dens invaginatus of the maxillary permanent lateral incisors. Mutations could not be identified in the coding exons of WNT10A in three patients. They might be located outside the coding exons, including the promoter regions. However, it is likely that agenesis of the maxillary permanent canines is a heterogeneous disorder. © 2013 Wiley Periodicals, Inc.
Our children are not a diagnosis: The experience of parents who continue their pregnancy after a prenatal diagnosis of trisomy 13 or 18
Authors: Guon Jennifer , Wilfond Benjamin S. , Farlow Barbara , Brazg Tracy , Janvier Annie
Published: December 2013

Trisomy 13 and trisomy 18 (T13‐18) are associated with high rates of perinatal death and with severe disability among survivors. Prenatal diagnosis (PND) may lead many women to terminate their pregnancy but some women choose to continue their pregnancy. We sent 503 invitations to answer a questionnaire to parents who belong to T13 and 18 internet support groups. Using mixed methods, we asked parents about their prenatal experience, their hopes, the life of their affected child, and their family experience. 332 parents answered questions about 272 children; 128 experienced PND. These parents, despite feeling pressure to terminate (61%) and being told that their baby would likely die before birth (94%), chose to continue the pregnancy. Their reasons included: moral beliefs (68%), child‐centered reasons (64%), religious beliefs (48%), parent‐centered reasons (28%), and practical reasons (6%). At the time of the diagnosis, most of these parents (80%) hoped to meet their child alive. By the time of birth, 25% chose a plan of full interventions. A choice of interventions at birth was associated with fewer major anomalies (P < 0.05). Parents describe “Special” healthcare providers as those who gave balanced and personalized information, respected their choice, and provided support. Parents make decisions to continue a pregnancy and choose a plan of care for their child according to their beliefs and their child's specific medical condition, respectively. Insights from parents' perspective can better enable healthcare providers to counsel and support families. © 2013 Wiley Periodicals, Inc.
Extreme climate, rather than population history, explains mid‐facial morphology of northern asians
Authors: Evteev Andrej , Cardini Andrea L. , Morozova Irina , O'Higgins Paul
Published: December 2013

Previous studies have examined mid‐facial cold adaptation among either widely dispersed and genetically very diverse groups of humans isolated for tens of thousands of years, or among very closely related groups spread over climatically different regions. Here we present a study of one East Asian and seven North Asian populations in which we examine the evidence for convergent adaptations of the mid‐face to a very cold climate. Our findings indicate that mid‐facial morphology is strongly associated with climatic variables that contrast the temperate climate of East Asians and the very cold and dry climate of North Asians. This is also the case when either maxillary or nasal cavity measurements are considered alone. The association remains significant when mtDNA distances among populations are taken into account. The morphological contrasts between populations are consistent with physiological predictions and prior studies of mid‐facial cold adaptation in more temperate regions, but among North Asians there appear to be some previously undescribed morphological features that might be considered as adaptive to extreme cold. To investigate this further, analyses of the seven North Asian populations alone suggest that mid‐facial morphology remains strongly associated with climate, particularly winter precipitation, contrasting coastal Arctic and continental climates. However, the residual covariation among North Asian mid‐facial morphology and climate when genetic distances are considered, is not significant. These findings point to modern adaptations to extreme climate that might be relevant to our understanding of the mid‐facial morphology of fossil hominins that lived during glaciations. Am J Phys Anthropol 153:449–462, 2014. © 2013 Wiley Periodicals, Inc.
Endoscopic anatomy of the middle ethmoidal artery
Authors: Wang Liang , Youseef Ahmed , Al Qahtani Abdul Aziz , Gun Ramazan , Prevedello Daniel M. , Otto Bradley A. , Ditzel Leo , Carrau Ricardo L.
Published: December 2013

Background

The purpose of this study was to describe the incidence of the middle ethmoidal artery and its anatomical nuances via an endoscopic endonasal approach.

Methods

A cadaveric study was performed on 22 adult specimens. First, a frontal sinusotomy and ethmoidectomy were performed via an endoscopic endonasal approach in order to fully expose the anterior skull base. Subsequently, the lamina papyracea and the bone of the canals covering the ethmoidal neurovascular bundles were removed to identify the anterior, middle, and posterior ethmoidal arteries. Presence, laterality, and location of the middle ethmoidal artery were recorded.

Results

A total of 14 middle ethmoidal arteries were identified (10 right and 4 left), among 44 sides (22 specimens), accounting for an incidence of 31.8%. Bilateral middle ethmoidal arteries were found in 3 of 22 specimens (14%). Endonasal endoscopy features of the middle ethmoidal artery were noted.

Conclusion

This is the first study assessing the anatomical features of the middle ethmoidal arteries from an endonasal endoscopic perspective. The findings of this research have clinical significance in guiding surgeries that involve the medial orbital wall, intractable epistaxis, and anterior skull base pathologies, as well as endoscopic endonasal surgeries.
Electron quantum optics in ballistic chiral conductors
Authors: Bocquillon Erwann , Freulon Vincent , Parmentier François D. , Berroir Jean‐Marc , Plaçais Bernard , Wahl Claire , Rech Jérome , Jonckheere Thibaut , Martin Thierry , Grenier Charles , Ferraro Dario , Degiovanni Pascal , Fève Gwendal
Published: December 2013

The edge channels of the quantum Hall effect provide one dimensional chiral and ballistic wires along which electrons can be guided in an optics‐like setup. Electronic propagation can then be analyzed using concepts and tools derived from optics. After a brief review of electron optics experiments performed using stationary current sources which continuously emit electrons in the conductor, this paper focuses on triggered sources, which can generate on‐demand a single particle state. It first outlines the electron optics formalism and its analogies and differences with photon optics and then turns to the presentation of single electron emitters and their characterization through the measurements of the average electrical current and its correlations. This is followed by a discussion of electron quantum optics experiments in the Hanbury‐Brown and Twiss geometry where two‐particle interferences occur. Finally, Coulomb interactions effects and their influence on single electron states are considered.
Mild Bioconjugation Through the Oxidative Coupling of ortho‐Aminophenols and Anilines with Ferricyanide
Authors: Obermeyer Allie C. , Jarman John B. , Netirojjanakul Chawita , El Muslemany Kareem , Francis Matthew B.
Published: December 2013

Using a small‐molecule‐based screen, ferricyanide was identified as a mild and efficient oxidant for the coupling of anilines and o‐aminophenols on protein substrates. This reaction is compatible with thiols and 1,2‐diols, allowing its use in the creation of complex bioconjugates for use in biotechnology and materials applications.
Homometallic Rare‐Earth Metal Phosphinidene Clusters: Synthesis and Reactivity
Authors: Wang Kai , Luo Gen , Hong Jianquan , Zhou Xigeng , Weng Linhong , Luo Yi , Zhang Lixin
Published: December 2013

Two new trinuclear μ3‐bridged rare‐earth metal phosphinidene complexes, [{L(Ln)(μ‐Me)}3(μ3‐Me)(μ3‐PPh)] (L=[PhC(NC6H4iPr2‐2,6)2]−, Ln=Y (2 a), Lu (2 b)), were synthesized through methane elimination of the corresponding carbene precursors with phenylphosphine. Heating a toluene solution of 2 at 120 °C leads to an unprecedented ortho CH bond activation of the PhP ligand to form the bridged phosphinidene/phenyl complexes. Reactions of 2 with ketones, thione, or isothiocyanate show clear phospha‐Wittig chemistry, giving the corresponding organic phosphinidenation products and oxide (sulfide) complexes. Reaction of 2 with CS2 leads to the formation of novel trinuclear rare‐earth metal thione dianion clusters, for which a possible pathway was determined by DFT calculation.
The Colloidal Stabilization of Carbon with Carbon: Carbon Nanobubbles as both Dispersant and Glue for Carbon Nanotubes
Authors: Kuzmicz Danuta , Prescher Simon , Polzer Frank , Soll Sebastian , Seitz Christoph , Antonietti Markus , Yuan Jiayin
Published: December 2013

The superior physical properties of carbon nanotubes (CNTs) have led to their broad application. Intrinsically, CNTs tend to agglomerate from hydrophobic interactions, which is highly undesirable for solution processing and device fabrication. Commonly, a stabilizer consisting of organic surfactants or polymers is used to disperse CNTs. Recently, we synthesized nitrogen‐doped carbon hollow nanospheres (25–90 nm), termed carbon “nanobubbles”. They bear superior dispersability in water and distinctive graphitic order. Herein, we describe the nanobubble‐assisted dispersion of CNTs in aqueous solution upon sonication. This process relies on the π–π interaction between the two aromatic carbon nanostructures, which can process their carbon mixture in water into conductive filter membranes, ink, and discs. This stabilization can be extended to other aromatic carbons. In addition, the π–π interaction may create a new type of carbon p–n junction that can be used to improve charge separation.
Cucurbit[7]uril: A High‐Affinity Host for Encapsulation of Amino Saccharides and Supramolecular Stabilization of Their α‐Anomers in Water
Authors: Jang Yoonjung , Natarajan Ramalingam , Ko Young Ho , Kim Kimoon
Published: December 2013

Cucurbit[7]uril (CB[7]), an uncharged and water‐soluble macrocyclic host, binds protonated amino saccharides (D‐glucosamine, D‐galactosamine, D‐mannosamine and 6‐amino‐6‐deoxy‐D‐glucose) with excellent affinity (Ka=103 to 104 M−1). The host–guest complexation was confirmed by NMR spectroscopy, isothermal titration calorimetry (ITC), and MALDI‐TOF mass spectral analyses. NMR analyses revealed that the amino saccharides, except D‐mannosamine, are bound as α‐anomers within the CB[7] cavity. ITC analyses reveal that CB[7] has excellent affinity for binding amino saccharides in water. The maximum affinity was observed for D‐galactosamine hydrochloride (Ka=1.6×104 M−1). Such a strong affinity for any saccharide in water using a synthetic receptor is unprecedented, as is the supramolecular stabilization of an α‐anomer by the host.
Infrared Spectra of Protonated Coronene and Its Neutral Counterpart in Solid Parahydrogen: Implications for Unidentified Interstellar Infrared Emission Bands
Authors: Bahou Mohammed , Wu Yu‐Jong , Lee Yuan‐Pern
Published: December 2013

Large protonated polycyclic aromatic hydrocarbons (H+PAHs) are possible carriers of unidentified infrared (UIR) emission bands from interstellar objects, but the characterization of infrared (IR) spectra of large H+PAHs in the laboratory is challenging. IR absorption spectra of protonated coronene (1‐C24H13+) and mono‐hydrogenated coronene (1‐C24H13.), which were produced upon electron bombardment of parahydrogen containing a small proportion of coronene (C24H12) during matrix deposition, were recorded. The spectra are of a much higher resolution than those obtained by IR multiphoton dissociation by Dopfer and co‐workers. The IR spectra of protonated pyrene and coronene collectively appear to have the required chromophores for features of the UIR bands, and the spectral shifts on an increase in the number of benzenoid rings point in the correct direction towards the positions of the UIR bands. Larger protonated peri‐condensed PAHs might thus be key species among the carriers of UIR bands.
Reversible and Irreversible Chemisorption in Nonporous‐Crystalline Hybrids
Authors: Solis‐Ibarra Diego , Karunadasa Hemamala I.
Published: December 2013

The tools of synthetic chemistry allow us to fine‐tune the reactivity of molecules at a level of precision not yet accessible with inorganic solids. We have investigated hybrids that couple molecules to the superior thermal and mechanical properties of solids. Herein we present, to the best of our knowledge, the first demonstration of reactivity between hybrid perovskites and substrates. Reaction with iodine vapor results in a remarkable expansion of these materials (up to 36 % in volume) where new covalent CI bonds are formed with retention of crystallinity. These hybrids also show unusual examples of reversible chemisorption. Here, solid‐state interactions extend the lifetime of molecules that cannot be isolated in solution. We have tuned the half‐lives of the iodinated structures from 3 h to 3 days. These nonporous hybrids drive substrate capture and controlled release through chemical reactivity. We illustrate the strengths of the hybrid by considering radioactive iodine capture.
Lactose as a “Trojan Horse” for Quantum Dot Cell Transport
Authors: Benito‐Alifonso David , Tremel Shirley , Hou Bo , Lockyear Harriet , Mantell Judith , Fermin David J. , Verkade Paul , Berry Monica , Galan M. Carmen
Published: December 2013

A series of glycan‐coated quantum dots were prepared to probe the effect of glycan presentation in intracellular localization in HeLa and SV40 epithelial cells. We show that glycan density mostly impacts on cell toxicity, whereas glycan type affects the cell uptake and intracellular localization. Moreover, we show that lactose can act as a “Trojan horse” on bi‐functionalized QDs to help intracellular delivery of other non‐internalizable glycan moieties and largely avoid the endosomal/lysosomal degradative pathway.
Cellulose fibers from cellulose/1‐ethyl‐3‐methylimidazolium acetate solution by wet spinning with increasing spinning speeds
Authors: Li Xiaojun , Li Nianke , Xu Jigang , Duan Xianquan , Sun Yushan , Zhao Qiang
Published: December 2013

Cellulose fibers from cellulose/1‐ethyl‐3‐methylimidazolium acetate solution were prepared by wet spinning with increasing extrusion speeds and draw ratios. The effects of spinning speeds on the structures and mechanical properties of these fibers were investigated by using scanning electron microscopy, wide angle X‐ray diffraction, birefringence, thermogravimetric analysis, tensile‐fineness tester, and wet friction. The results showed that the crystallinity, orientation, and mechanical properties of the fibers were improved with increasing draw ratio. The break draw ratios, degrees of crystallinity and orientation, tenacities, and wet friction time of the cellulose fibers decreased with increasing extruding speeds. The wet friction time decreased with increasing draw ratio and decreased faster under higher extrusion speed. Due to the high dope concentration and the increased draw ratio, the maximum tenacity of the regenerated cellulose fibers reached 2.73 cN/dtex. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40225.
Patient with disorganization syndrome: Surgical procedures, Pathology, and potential causes
Authors: Vallejo Oscar Girón , Benítez Sánchez María del Carmen , Cánovas Cesar Salcedo , Ontiveros Joanna Díez , Ruiz Jiménez José Ignacio , Bermejo‐Sánchez Eva , Martínez‐Frías María Luisa
Published: December 2013

BACKGROUND

The human disorganization syndrome (HDS) is an extremely rare malformation syndrome that presents with a severe pattern of defects affecting different structures.

METHODS

We describe a newborn girl presenting with HDS. Her clinical features included a large appendage arising from the right buttock as the only alteration, with size and shape of a lower member‐like structure, and a pedicle of the extra limb structure. The surgical observations, the pathological results, evolution up to 6 months of age, and their potential causes are described, as well as a review of the literature.

RESULTS

The MRI procedure also detected a multicystic mass located at the presacral region of the pelvis and perineum, without any dysraphism or other medullary anomalies. The X‐ray showed that the member‐like structure had an iliac wing, femur, tibia, fibula, and aberrant metatarsals. The review of the literature shows disparate defects of the published cases with HDS, which include some features pathogenically not related with this syndrome.

CONCLUSION

We highlight the need to maintain restricted the clinical diagnosis for HDS to those concordant with a great disorganization of morphogenetic inductions affecting the three germ layers, which occur during the first four weeks of development. This is crucial to: (a) perform a correct diagnosis, which is essential to establish the prognosis and surgery procedures, (b) identify which is/are the cause/s, and (c) the adequate genetic counseling. Birth Defects Research (Part A), 97:781–785, 2013. © 2013 Wiley Periodicals, Inc.
Second study on the recurrence risk of isolated esophageal atresia with or without trachea‐esophageal fistula among first‐degree relatives: No evidence for increased risk of recurrence of EA/TEF or for malformations of the VATER/VACTERL association spectrum
Authors: Choinitzki Vera , Zwink Nadine , Bartels Enrika , Baudisch Friederike , Boemers Thomas M. , Hölscher Alice , Turial Salmai , Bachour Haitham , Heydweiller Andreas , Kurz Ralf , Bartmann Peter , Pauly Markus , Brokmeier Ulrike , Leutner Andreas , Nöthen Markus M. , Schumacher Johannes , Jenetzky Ekkehart , Reutter Heiko
Published: December 2013

BACKGROUND

Esophageal atresia with/without trachea‐esophageal fistula (EA/TEF) denotes a spectrum of severe congenital malformations. The aim of this systematic study was to determine both the recurrence risk for EA/TEF, and the risk for malformations of the VATER/VACTERL association spectrum, in first‐degree relatives of patients with isolated EA/TEF.

METHODS

A total of 108 unrelated patients with isolated EA/TEF were included. These individuals had 410 first‐degree relatives including 194 siblings. The presence of EA/TEF and malformations of the VATER/VACTERL association spectrum in relatives was systematically assessed. Data from the EUROCAT network were used for comparison.

RESULTS

None of the first‐degree relatives displayed any form of EA/TEF. In two families, a first‐degree relative presented with malformations from the VATER/VACTERL association spectrum. However, no increase in the risk for malformations of the VATER/VACTERL association spectrum was found compared with the control cohort (p = 0.87). In three families, one more distantly related relative presented with EA/TEF.

CONCLUSION

In contrast to previous studies, our results suggest a very low recurrence risk for isolated EA/TEF and/or for malformations of the VATER/VACTERL association spectrum among first‐degree relatives. Birth Defects Research (Part A), 97:786–791, 2013. © 2013 Wiley Periodicals, Inc.
The Economic Relevance of Environmental Disclosure and its Impact on Corporate Legitimacy: An Empirical Investigation
Authors: Cormier Denis , Magnan Michel
Published: December 2013

In determining its environmental disclosure strategy, a firm's management faces a tension between responding to the information needs of financial markets and maintaining its legitimacy within the community. In this paper, relying on information economics and legitimacy theory, we explore how firms resolve this tension. Results show that a firm's environmental disclosure enhances the quality of analysts' information context, which ultimately allows them to make better forecasts. Moreover, financial analysts seem to be able to decipher environmental information, discounting discourses that are inconsistent with a firm's underlying environmental performance. We find also that a firm's environmental disclosure serves another purpose, as it influences how its other stakeholders (beyond financial ones) perceive its legitimacy. Such enhanced legitimacy reduces the information uncertainty faced by financial analysts. Our results suggest also that both economic‐based environmental disclosure and sustainable development and environmental disclosure are useful to analysts in making their forecasts and enhance a firm's legitimacy. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment.
Transcatheter valve‐in‐ring implantation after a failed surgical mitral repair using a transseptal approach and a veno‐arterial loop for valve placement
Authors: Wunderlich Nina C. , Kische Stephan , Ince Hüseyin , Bozdağ‐Turan Ilkay
Published: December 2013

A failure of a mitral valve repair, which includes the implantation of a mitral annuloplasty ring in the majority of cases, is associated with relevant mortality. Surgery is considered as the standard treatment for these patients. For patients who have an unacceptable high peri‐surgical risk a transcatheter valve‐in‐ring (TVIR) procedure might be an option. Isolated case reports and small case series report on the feasibility of a TVIR implantation in mitral position. We present a case where a 29‐mm Edwards Sapien valve was placed in a 32‐mm Carpentier Edwards ring. To our knowledge no valve has been implanted so far in this ring size and this is the first case where a veno‐arterial loop was used as guide rail for valve implantation and helped considerably to position the valve properly. © 2013 Wiley Periodicals, Inc.
Development of a CFD Model of Bubble Column Bioreactors: Part Two – Comparison of Experimental Data and CFD Predictions
Authors: McClure Dale D. , Kavanagh John M. , Fletcher David F. , Barton Geoffrey W.
Published: December 2013

The application of computational fluid dynamics (CFD) as a tool to simulate bubble column bioreactors is investigated. A three‐dimensional model utilizing the Euler‐Euler approach is evaluated. The role of various terms, i.e., lift, drag, bubble‐induced turbulence, and volume fraction correction terms for drag, is determined. Good agreement between experimental data and simulation results was obtained by means of a single‐bubble size model provided that bubble‐induced turbulence and the reduction in drag due to the presence of other bubbles were taken into account.
Heathcock‐Inspired Strategies for the Synthesis of Fawcettimine‐Type Lycopodium Alkaloids
Authors: Murphy Rebecca A. , Sarpong Richmond
Published: December 2013

The fawcettimine‐type Lycopodium alkaloids have garnered significant attention from synthetic organic chemists since the isolation of fawcettimine in 1959. Despite being targets of interest for over 50 years, most of the strategies employed in the syntheses of fawcettimine congeners have built upon Inubushi and Heathcock’s original work, realized in 1979 and 1986, respectively. This elegant strategy has been explored and expanded upon in the intervening years since the original publications, in what we now call the Heathcock‐inspired strategy. While other disconnections have been disclosed, this strategy remains one of the most efficient. In this Concept article, we focus on exploring a number of recent Heathcock‐inspired syntheses of fawcettimine‐type Lycopodium alkaloids. We also briefly discuss alternative, novel disconnections.
Hydrogen‐Bonding in Aminocatalysis: From Proline and Beyond
Authors: Albrecht Łukasz , Jiang Hao , Jørgensen Karl Anker
Published: December 2013

This Concept article summarizes recent progress in the field of hydrogen‐bonding aminocatalysis using proline‐derived systems. The aminocatalysts available in the literature are categorized by the incorporated hydrogen‐bonding scaffold and its mode of recognition. Both mono‐ and double‐hydrogen‐bonding motifs are discussed and examples of their application in asymmetric synthesis are given.
ChemInform Abstract: Bubble Template Synthesis of Sn2Nb2O7 Hollow Spheres for Enhanced Visible‐Light‐Driven Photocatalytic Hydrogen Production.
Authors: Zhou Chao , Zhao Yufei , Bian Tong , Shang Lu , Yu Huijun , Wu Li‐Zhu , Tung Chen‐Ho , Zhang Tierui
Published: December 2013

The title hollow spheres are hydrothermally synthesized from mixtures of Nb2O5, SnCl2, urea, and KOH solution, using NH3 and CO2 bubbles produced by decomposition of urea as soft templates (autoclave, 200 °C, 12 h).
ChemInform Abstract: Preparation, Ionic Conductivity and Thermochemistry of New Bi12.5Lu1.5ReO24.5 Phase.
Authors: Matskevich N. I. , Wolf Th. , Greaves C. , Bryzgalova A. N.
Published: December 2013

The new title compound is synthesized from a mixture of Bi2O3, Re2O7, and Lu2O3 in air (1070 K, 70 h) and characterized by powder X‐ray and neutron diffraction, conductivity measurements, and solution calorimetry.
ChemInform Abstract: Stereoselective Lewis Base‐Catalyzed Asymmetric Hydrosilylation of α‐Acetamido‐β‐enamino Esters: Straightforward Approach for the Construction of α,β‐Diamino Acid Derivatives.
Authors: Jiang Yan , Chen Xing , Hu Xiao‐Yan , Shu Chang , Zhang Yong‐Hong , Zheng Yong‐Sheng , Lian Chun‐Xia , Yuan Wei‐Cheng , Zhang Xiao‐Mei
Published: December 2013

A novel L‐serine derived catalyst is investigated for the stereoselective hydrosilylation of α‐acetamido‐β‐enamino esters.
ChemInform Abstract: Copper‐Catalyzed Nucleophilic Trifluoromethylation of Propargylic Halides.
Authors: Miyake Yoshihiro , Ota Shin‐ichi , Shibata Masashi , Nakajima Kazunari , Nishibayashi Yoshiaki
Published: December 2013

Cu‐catalyzed trifluoromethylation of primary propargylic alcohols (I) affords the corresponding trifluoromethylated products (III), while the reaction with secondary propargylic chlorides (IV) gives rise to the formation of trifluoromethylated allenes (V).
ChemInform Abstract: Transalkylation of N‐Methyl Tertiary Amines with 3,4‐Dibromobutenolides.
Authors: Wei Meng‐Xue , Gao Xiao‐Hui , Li Tian‐Cai , Fan Chun‐An , Li Xue‐Qiang
Published: December 2013

Enamine (Va) shows promising anticancer activity against HeLa cell lines.
ChemInform Abstract: Triarylaminium Salt‐Initiated Aerobic Double Friedel—Crafts Reaction of Glycine Derivatives with Indoles.
Authors: Hou Congde , Wang Cheng , Sun Chougu , Jia Xiaodong , Wang Xicun , Chang Wenju , Wu Mingxia
Published: December 2013

An aminium radical catalyzed reaction of N‐tosylglycine derivatives with indoles is developed to yield products (III), (VI), and (VIII) via a double Friedel—Crafts reaction.
ChemInform Abstract: Microwave‐Assisted Synthesis of 3‐Substituted Indoles via Intramolecular Arene—Alkene Coupling of o‐Iodoanilino Enamines.
Authors: Lee Won‐Il , Jung Jong‐Wha , Sim Jaehoon , An Hongchan , Suh Young‐Ger
Published: December 2013

A generally applicable and high‐yielding protocol for the synthesis of 3‐substituted indole derivatives is described.
ChemInform Abstract: A Three‐Component Reaction Between 1‐Substituted‐2‐methylimidazoles, Cyanophenylacetylene, and Various Aldehydes: Stereoselective Synthesis of (Z)‐(2‐Cyano‐1‐phenyl)vinyl Ethers of 2‐(2‐Hydroxyalkyl)imidazoles.
Authors: Trofimov Boris A. , Andriyankova Ludmila V. , Nikitina Lina P. , Belyaeva Kseniya V. , Mal'kina Anastasiya G. , Afonin Andrei V. , Ushakov Igor' A.
Published: December 2013

A novel functionalization of imidazoles (I) at the C2‐methyl is achieved through a three‐component reaction with aliphatic and aromatic aldehydes and cyanophenylacetylene without a catalyst.
ChemInform Abstract: Introduction of Bulky tert‐Butyl Substituents on the Core of N,N′‐Diaryl N‐Heterocyclic Carbenes Through the Corresponding Vicinal Diamines.
Authors: Jacquemard Ulrich , Harpainter Phoebe , Roland Sylvain
Published: December 2013

The synthesis of NHC‐silver complexes possessing bulky tert‐butyl groups is developed.
ChemInform Abstract: Synthesis of (2‐Alkylthiothiazolin‐5‐yl)methyl Dodecanoates via Tandem Radical Reaction.
Authors: Kakaei Saeed , Xu Jiaxi
Published: December 2013

A series of title compounds (III) is synthesized from N‐allylcarbamodithioates (I) and dilauroyl peroxide (II) via a tandem radical reaction involving a 5‐exo‐trig radical cyclization as key step.
ChemInform Abstract: Novel Nitrogen to Carbon Rearrangement Forming Nicotinic Acid Sulfonamides.
Authors: Rushingwa Evelyne , Touray Hadijatou K. , Bowen Richard D. , Gallagher Richard T. , Martin William H. C.
Published: December 2013

Treatment of easily synthesized N‐acyl‐N‐benzyl‐2‐pyridinesulfonamides with LDA results in an efficient rearrangement to the 3‐acylated title compounds (IV).
ChemInform Abstract: Microwave‐Assisted Iridium‐Catalyzed Synthesis of Nicotine and Anabasine Derivatives.
Authors: Apsunde Tushar Dattu , Trudell Mark L.
Published: December 2013

Functionalized nicotine and anabasine analogues (III), (V), and (VII) are synthesized via microwave‐assisted heterocyclization of 1,4‐ and 1,5‐diols, respectively.
ChemInform Abstract: Direct C‐2 Alkylation of Quinoline N‐Oxides with Ethers via Palladium‐Catalyzed Dehydrogenative Cross‐Coupling Reaction.
Authors: Wu Zhiyong , Pi Chao , Cui Xiuling , Bai Jie , Wu Yangjie
Published: December 2013

The optimized protocol renders possible the dehydrogenative cross coupling reaction of ethers and quinoline N‐oxides under base‐free and mild conditions.
ChemInform Abstract: Synthesis of Some New Dihydropyrimidines by Iodine as a Catalyst at Ambient Temperature and Evaluation of Their Biological Activity.
Authors: Zalavadiya P. D. , Ghetiya R. M. , Dodiya B. L. , Vekariya P. B. , Joshi H. S.
Published: December 2013

The formation of dihydropyrimidines (IV) and (VII) from dicarbonyl compounds, aromatic aldehydes, and thiourea derivatives occurs with significant enhancement with regard to reaction rates, reaction time, and yield by using molecular iodine as the catalyst.
ChemInform Abstract: Synthesis, Biological Evaluation and Molecular Docking Studies of Some Pyrimidine Derivatives.
Authors: Fargualy Ahmed M. , Habib Nargues S. , Ismail Khadiga A. , Hassan Ahmed M. M. , Sarg Marwa T. M.
Published: December 2013

The compounds (IIIc) and (IIId) show antimicrobial activity against a broad spectrum of bacteria (S.
ChemInform Abstract: First Synthesis and Biological Evaluation of 4‐Amino‐2‐aryl‐6,9‐dichlorobenzo[g]pteridines as Inhibitors of TNF‐α and IL‐6.
Authors: Guirado Antonio , Lopez Sanchez Jose I. , Ruiz‐Alcaraz Antonio J. , Garcia‐Penarrubia Pilar , Bautista Delia , Galvez Jesus
Published: December 2013

A method for the direct synthesis of the title compounds is described.
ChemInform Abstract: Nickel‐Catalyzed Manipulation of Tertiary Phosphines via Highly Selective C—P Bond Cleavage.
Authors: Cao Jian , Huang Xian , Wu Luling
Published: December 2013

The ring‐opening reaction of cyclopropa[b]naphthalenes with tertiary phosphines leads to a variety of novel bulky phosphines, e.g. compounds (VI) and (VIII).
ChemInform Abstract: Silyl‐Heck Reactions for the Preparation of Unsaturated Organosilanes
Authors: Martin Sara E. S. , Watson Donald A.
Published: December 2013

Review: 36 refs.
ChemInform Abstract: Pharmaceutical Co‐crystals ‐ an Update
Authors: Sekhon Bhupinder Singh
Published: December 2013

Review: 73 refs.
Effects of the ambient temperature on the airflow across a Caucasian nasal cavity
Authors: Burgos M.A. , Sanmiguel‐Rojas E. , Martín‐Alcántara A. , Hidalgo‐Martínez M.
Published: December 2013

We analyse the effects of the air ambient temperature on the airflow across a Caucasian nasal cavity under different ambient temperatures using CFD simulations. A three‐dimensional nasal model was constructed from high‐resolution computed tomography images for a nasal cavity from a Caucasian male adult. An exhaustive parametric study was performed to analyse the laminar‐compressible flow driven by two different pressure drops between the nostrils and the nasopharynx, which induced calm breathing flow rates ࣈ 5.7 L/min and ࣈ 11.3 L/min. The inlet air temperature covered the range − 10oC ⩽ To ⩽50oC. We observed that, keeping constant the wall temperature of the nasal cavity at 37oC, the ambient temperature affects mainly the airflow velocity into the valve region. Surprisingly, we found an excellent linear relationship between the ambient temperature and the air average temperature reached at different cross sections, independently of the pressure drop applied. Finally, we have also observed that the spatial evolution of the mean temperature data along the nasal cavity can be collapsed for all ambient temperatures analysed with the introduction of suitable dimensionless variables, and this evolution can be modelled with the help of hyperbolic functions, which are based on the heat exchanger theory. Copyright © 2013 John Wiley & Sons, Ltd.
Speeding up systems biology simulations of biochemical pathways using condor
Authors: Liu Xuan , Taylor Simon J. E. , Mustafee Navonil , Wang Jun , Gao Qian , Gilbert David
Published: December 2013

Systems biology is a scientific field that uses computational modelling to study biological and biochemical systems. The simulation and analysis of models of these systems typically explore behaviour over a wide range of parameter values; as such, they are usually characterised by the need for nontrivial amounts of computing power. Grid computing provides access to such computational resources. In previous research, we created the grid‐enabled biochemical networks simulation environment to attempt to speed up system biology simulations over a grid (the UK National Grid Service and ScotGrid). Following on from this work, we have created the simulation modelling of the epidermal growth factor receptor microtubule‐associated protein kinase pathway utility, a standalone simulation tool dedicated to the modelling and analysis of the epidermal growth factor receptor microtubule‐associated protein kinase pathway. This builds on experiences from biochemical networks simulation environment by decoupling the simulation modelling elements from the Grid middleware. This new utility enables us to interface with different grid technologies. This paper therefore describes the new SIMAP utility and an empirical investigation of its performance when deployed over a desktop grid based on the high throughput computing middleware Condor. We present our results based on a case study with a model of the mammalian ErbB signalling pathway, a pathway strongly linked to cancer. Copyright © 2013 John Wiley & Sons, Ltd.
Massively multithreaded maxflow for image segmentation on the Cray XMT‐2
Authors: Bokhari Shahid H. , Çatalyürek Ümit V. , Gurcan Metin N.
Published: December 2013

Image segmentation is a very important step in the computerized analysis of digital images. The maxflow mincut approach has been successfully used to obtain minimum energy segmentations of images in many fields. Classical algorithms for maxflow in networks do not directly lend themselves to efficient parallel implementations on contemporary parallel processors. We present the results of an implementation of Goldberg–Tarjan preflow‐push algorithm on the Cray XMT‐2 massively multithreaded supercomputer. This machine has hardware support for 128 threads in each physical processor, a uniformly accessible shared memory of up to 4 TB and hardware synchronization foreach64 bit word. It is thus well‐suited to the parallelization of graph theoretic algorithms, such as preflow‐push. We describe the implementation of the preflow‐push code on the XMT‐2 and present the results of timing experiments on a series of synthetically generated as well as real images. Our results indicate very good performance on large images and pave the way for practical applications of this machine architecture for image analysis in a production setting. The largest images we have run are 320002pixels in size, which are well beyond the largest previously reported in the literature.Copyright © 2013 John Wiley & Sons, Ltd.
Assembly Dependent Fluorescence Enhancing Nucleic Acids in Sequence‐Specific Detection of Double‐Stranded DNA
Authors: Doluca Osman , Hale Tracy K. , Edwards Patrick J. B. , González Carlos , Filichev Vyacheslav V.
Published: December 2013

Invited for this month’s cover is the group of Dr. Vyacheslav V. Filichev from Massey University, New Zealand and a collaborator from the Instituto de Química Física Rocasalano, CSIC, Spain. The cover picture shows how a DNA strand that forms a highly stable G‐quadruplex can be converted into an efficient DNA triplex‐forming oligonucleotide by incorporating a pyrene intercalator into the sequence. Read the full text of the article at 10.1002/cplu.201300310
Solvent‐Free and Catalysts‐Free Chemistry: A Benign Pathway to Sustainability
Authors: Gawande Manoj B. , Bonifácio Vasco D. B. , Luque Rafael , Branco Paula S. , Varma Rajender S.
Published: December 2013

In the past decade, alternative benign organic methodologies have become an imperative part of organic syntheses and chemical reactions. The various new and innovative sustainable organic reactions and methodologies using no solvents or catalysts and employing alternative energy inputs such as microwaves, sonication, conventional and room temperature heating conditions, mechanochemical mixing, and high‐speed ball milling are discussed in detail. Environmentally benign and pharmaceutically important reactions such as multicomponent, condensation, and Michael addition reactions; ring opening of epoxides; and oxidation and other significant organic reactions are discussed. An overview of benign reactions through solvent‐ and catalyst‐free (SF–CF) chemistry and a critical perspective on emerging synergies between SF–CF organic reactions are discussed.