bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Palladium—Poly(3‐aminoquinoline) Hollow‐Sphere Composite: Application in Sonogashira Coupling Reactions.
Authors: Islam Rafique Ul , Mahato Sanjit K. , Shukla Sudheesh K. , Witcomb Michael J. , Mallick Kaushik
Published: December 2013

In general aryl iodides and bromides can be applied with iodide leading to the products with higher yields.
ChemInform Abstract: N,N′‐Dioxide‐Magnesium Ditriflate Complex‐Catalyzed Asymmetric α‐Hydroxylation of β‐Keto Esters and β‐Keto Amides.
Authors: Yin Chengkai , Cao Weidi , Lin Lili , Liu Xiaohua , Feng Xiaoming
Published: December 2013

Chiral N,N‐dioxide magnesium complexes are described as efficient catalysts for the α‐hydroxylation of cyclic 1‐tetralone derived β‐keto esters.
ChemInform Abstract: Chemo‐, Regio‐ and Stereoselective Tricyclohexylphosphine‐Catalyzed [3 + 2] Cycloaddition of Enynes with [60]Fullerene Initiated by 1,4‐Michael Addition: Synthesis of Cyclopenteno[60]fullerenes and Their Electrochemical Properties.
Authors: Tseng Po‐Yen , Chuang Shih‐Ching
Published: December 2013

The target compounds exhibit comparable or higher LUMO energy levels than a typical n‐type material, [6,6]‐phenyl‐C61‐butyric acid methyl ester.
ChemInform Abstract: Regioselective Bromination of Tetronic Acid‐Derived γ‐Lactones and Metal‐Catalyzed Post‐Functionalization: An Efficient Access to New γ‐Ylidenetetronate Derivatives.
Authors: Iikawa Shinya , Chopin Nicolas , Pilet Guillaume , Bouillon Jean‐Philippe , Medebielle Maurice
Published: December 2013

The bromination of several methyl and benzyl γ‐ylidenetetronates, which are prepared following literature procedures, is examined and a preliminary reactivity study of these bromination products in further reactions is performed.
ChemInform Abstract: Synthesis of 3‐(5‐Methylthiophen‐2‐yl)coumarins and Their Photochromic Dihetarylethene Derivatives.
Authors: Bochkov Andei Y. , Krayushkin Mikhail M. , Yarovenko Vladimir N. , Barachevsky Valery A. , Beletskaya Irina P. , Traven Valery F.
Published: December 2013

Unsymmetrical dithienylmaleic acid anhydride (III), incorporating a coumarin moiety, is synthesized in order to combine high photochromic performance and intense fluorescence of open form.
ChemInform Abstract: Diels—Alder Reactions with Ethyl 1‐Benzofuran‐3‐carboxylates.
Authors: Kil'met'ev A. S. , Shul'ts E. E. , Shakirov M. M. , Rybalova T. V. , Tolstikov G. A.
Published: December 2013

Substituted salicylaldehydes (I) react with ethyl diazoacetate (II) to give benzofuran derivatives of type (III).
ChemInform Abstract: Design of a Highly Selective and Potent Class of Non‐planar Estrogen Receptor β Agonists.
Authors: Sunden Henrik , Ma Jian‐Nong , Hansen Lars K. , Gustavsson Anna‐Lena , Burstein Ethan S. , Olsson Roger
Published: December 2013

This describes the syntheses of various dibenzofurans and cycloheptanobenzofurans as estrogen receptor β agonists.
ChemInform Abstract: Indirect N‐Vinylation of Indoles via Isomerization of N‐Allyl Derivatives: Synthesis of (.+‐.)‐Debromoarborescidine B.
Authors: Tasic Gordana , Simic Milena , Popovic Stanimir , Husinec Suren , Maslak Veselin , Savic Vladimir
Published: December 2013

The double bond migration in N‐allylindoles is investigated as a method to access the corresponding N‐vinyl derivatives.
ChemInform Abstract: Aqueous Copper‐Catalyzed N‐Arylation of Indoles: The Surfactant Strategy.
Authors: Liu Songbai , Zhou Jiahui
Published: December 2013

Betaine is found to be an efficient promoter for the copper‐catalyzed N‐arylation of indoles (I) in aqueous solution.
ChemInform Abstract: Microwave‐Assisted Synthesis and Antibacterial Activity of Unsymmetrical Indolyl/Aryl Bis‐thiosemicarbazones.
Authors: Li Lin , Jiang Yujia , Liu Xingli , Zhao Zhigang
Published: December 2013

Some of the novel title bisthiosemicarbazones (III) (9 examples) exhibit good to excellent antibacterial activities.
ChemInform Abstract: Investigation of Reactions Between Binucleophilic Reagents with 2‐(2‐Oxindolin‐3‐ylidene)malononitrile Derivatives.
Authors: Seifi Mohammad , Sheibani Hassan
Published: December 2013

The reactions of hydrazines and 4‐substituted thiosemicarbazoles with 2‐(2‐oxoindolin‐3‐ylidene) malonitriles (I) are described.
ChemInform Abstract: An Isocyanide‐Based Multicomponent Reaction: New Route for Synthesis of Isoxazolinedione Derivatives.
Authors: Habibi Azizollah , Vafadarnejad Fahimeh , Armand Marjan Akbari
Published: December 2013

The three‐component, one‐pot‐reaction between alkylidene Meldrums acid (I), isocyanide (II), aliphatic ketoxime (III), and one molecule of water (moisture) provides a simple entry into the synthesis of new derivatives of isoxazolinedione.
ChemInform Abstract: One‐Pot Synthesis of Enantiopure 3,4‐Dihydroisocoumarins Through Dynamic Reductive Kinetic Resolution Processes.
Authors: Mangas‐Sanchez Juan , Busto Eduardo , Gotor Vicente , Gotor‐Fernandez Vicente
Published: December 2013

This preparation of enantiopure isocoumarin derivatives is based on combination of an enzymatic kinetic resolution with a base‐catalyzed racemization which provides an efficient system for dynamic reductive kinetic resolution.
ChemInform Abstract: Synthesis of Some New 3‐Coumaranone and Coumarin Derivatives as Dual Inhibitors of Acetyl‐ and Butyrylcholinesterase.
Authors: Alipour Masoumeh , Khoobi Mehdi , Nadri Hamid , Sakhteman Amirhossein , Moradi Alireza , Ghandi Mehdi , Foroumadi Alireza , Shafiee Abbas
Published: December 2013

The title compounds (III), (VI) exhibit inhibitory activity against both AChE and BuChE in the micromolar range.
ChemInform Abstract: A Novel Route to Isoquinoline[2,1‐g][1,6]naphthyridine, Pyrazolo[5,1‐a]isoquinoline and Pyridazino[4′,5′:3,4]pyrazolo[5,1‐a]isoquinoline Derivatives with Evaluation of Antitumor Activities.
Authors: Hassaneen Hamdi M. , Wardkhan Wagnat W. , Mohammed Yasmin Sh.
Published: December 2013

Routes towards the synthesis of the title compounds are described from isoquinoline derivatives.
ChemInform Abstract: From Simple Furans to Complex Nitrogen‐Bearing Aromatic Polycycles by Means of a Flexible and General Reaction Sequence Initiated by Singlet Oxygen.
Authors: Kalaitzakis Dimitris , Montagnon Tamsyn , Antonatou Eirini , Bardaji Nuria , Vassilikogiannakis Georgios
Published: December 2013

A general one‐pot reaction sequence is developed to convert simple furan derivatives into nitrogen‐bearing polycyclic heterocycles.
ChemInform Abstract: Asymmetric Ion Pair Catalysis of 6π Electrocyclizations: Broensted Acid Catalyzed Enantioselective Synthesis of Optically Active 1,4‐Dihydropyridazines.
Authors: Das Arindam , Volla Chandra M. R. , Atodiresei Iuliana , Bettray Wolfgang , Rueping Magnus
Published: December 2013

It provides a simple, new, and highly enantioselective method to prepare a number of biologically important dihydropyridazines.
ChemInform Abstract: Synthesis and Biological Evaluation of a Novel Series of 6,8‐Dibromo‐4(3H)quinazolinone Derivatives as Anticancer Agents.
Authors: Ahmed Marwa F. , Youns Mahmoud
Published: December 2013

Three novel series of azolylphenyl‐ and pyrimidinylphenyl‐substituted quinazolinone derivatives are synthesized and evaluated for their antitumor activity against the human breast carcinoma cell line MCF‐7.
ChemInform Abstract: Solvent Free Synthesis, Characterization, Anticancer, Antibacterial, Antifungal, Antioxidant and SAR Studies of Novel (E)‐3‐Aryl‐1‐(3‐alkyl‐2‐pyrazinyl)‐2‐propenone.
Authors: Kitawat Bheru Singh , Singh Man , Kale Raosaheb Kathalupant
Published: December 2013

The microwave‐assisted Claisen—Schmidt condensation of acetylpyrazines (I) with aryl aldehydes (II) leads to (E)‐adducts (III) which display significant antioxidant activity.
ChemInform Abstract: Substituted [1,2,4,5]‐Dithiadiazines and [1,3,4]‐Thiadiazolidines; Synthesis, Characterization and Antimicrobial Study.
Authors: Deohate Pradip P.
Published: December 2013

The antimicrobial screening shows that compounds (Vb), (Vd), (VIIb), (VIId) are highly efficient against E.
ChemInform Abstract: Synthesis of Some New 1,2,3,4‐Tetrahydropyrimidine‐2‐thione and Their Thiazolo[3,2‐a]pyrimidine, Thiazino and Benzothiazepine Derivatives.
Authors: Fadda A. A. , Bondock S. B. , Khalil A. M. , Tawfik Eman H.
Published: December 2013

A novel and versatile approach leads to fused thiazolopyrimidine derivatives to which the third ring is attached bridging the N‐3 and S‐2 position.
ChemInform Abstract: Synthesis and Biological Evaluation of Novel Benzoxaboroles as Potential Antimicrobial and Anticancer Agents.
Authors: Kumar J. Sravan , Alam M. A. , Gurrapu Shirisha , Nelson Grady , Williams Michael , Corsello Michael A. , Johnson Joseph L. , Jonnalagadda Subash C. , Mereddy Venkatram R.
Published: December 2013

Benzoxaborole derivatives are prepared from formylphenylboronic acid derivatives (I) utilizing Baylis‐Hillman reaction [cf.
ChemInform Abstract: Simple and Novel Synthesis of 3‐(Thio)phosphoryl‐β‐lactams by Radical Cyclization
Authors: Punda Pawel , Makowiec Slawomir
Published: December 2013

of phosphono‐acetenamides (I) promoted by manganese triacetate
ChemInform Abstract: New Triterpenoid Saponins, Cowpeasaponins I and II, from Cowpea Seeds (Vigna sinensis K.).
Authors: Cui En Ji , Cho Jin Gyeong , Chung In Sik , Kim Ji Young , Hong Seong Gil , Baek Nam In
Published: December 2013

The isolation and structural assignment of two new compounds, cowpeasaponin I (Ia) and II (Ib), derived along with other known metabolites from cowpea seeds is described.
ChemInform Abstract: A New Reversible Mg3Ag—H2 System for Hydrogen Storage.
Authors: Si T. Z. , Zhang J. B. , Liu D. M. , Zhang Q. A.
Published: December 2013

Mg3Ag is prepared as a hydrogen storage medium by reactive sintering of compressed pellets of MgH2 and Ag powders in a molar ratio of 3:1 at 400 °C for 2 h under Ar atmosphere.
ChemInform Abstract: Anchored Metal Nanoparticles: Effects of Support and Size on Their Energy, Sintering Resistance and Reactivity
Authors: Campbell Charles T. , Sellers Jason R. V.
Published: December 2013

Review: 160 refs.
ChemInform Abstract: Singlet Oxygen‐Mediated Synthesis of Malarial Chemotherapeutic Agents
Authors: Malik Sachin , Khan Suroor A. , Ahuja Priya , Arya Satish K. , Sahu Shikha , Sahu Kapendra
Published: December 2013

Review: 116 refs.
ChemInform Abstract: β‐Oxodithioesters: A New Frontier for Diverse Heterocyclic Architectures
Authors: Singh Maya Shankar , Nandi Ganesh Chandra , Chanda Tanmoy
Published: December 2013

Review: 86 refs.
ChemInform Abstract: Asymmetric Synthesis of Chiral Flavanone and Chromanone Derivatives
Authors: Wang Nai‐Xing , Xing Yalan , Wang Yan‐Jing
Published: December 2013

Review: 53 refs.
ChemInform Abstract: Lewis Acid‐Water/Alcohol Complexes as Hydrogen Atom Donors in Radical Reactions
Authors: Povie Guillaume , Renaud Philippe
Published: December 2013

Review: 39 refs.
ChemInform Abstract: Rapid Construction of Shape‐Persistent H‐Bonded Macrocycles via One‐Pot H‐Bonding‐Assisted Macrocyclization
Authors: Ong Wei Qiang , Zeng Huaqiang
Published: December 2013

Review: 54 refs.
ChemInform Abstract: Application of Electrochemically Generated Hypervalent Iodine Oxidant to Natural Products Synthesis
Authors: Kajiyama Daichi , Saitoh Tsuyoshi , Nishiyama Shigeru
Published: December 2013

Review: 28 refs.
ChemInform Abstract: Metal‐Catalyzed C—H Bond Activation and C—C Bond Formation in Water
Authors: Li Bin , Dixneuf Pierre H.
Published: December 2013

Review: 183 refs.
ChemInform Abstract: A Durable Template for Carbosilane Dendrimer Synthesis
Authors: Son David Y.
Published: December 2013

Review: 15 refs.
ChemInform Abstract: Chemical Studies on Taxus canadensis
Authors: Li Yong , Qin Fang , Wang Si‐Ming , Guo Rui‐Xia , Zhang Yue‐Feng , Gu Yu‐Cheng , Shi Qing‐Wen
Published: December 2013

Review: phytochemical studies and chemical modifications of taxanes; 69 refs.
ChemInform Abstract: Chemical Mechanisms of the Toxicological Properties of Nanomaterials: Generation of Intracellular Reactive Oxygen Species
Authors: Yan Liang , Gu Zhanjun , Zhao Yuliang
Published: December 2013

Review: 89 refs.
ChemInform Abstract: Manufacturing of Porous Functional Structures: Design of Catalysts
Authors: Van Noyen Jasper , Mullens Steven
Published: December 2013

Review: 31 refs.
ChemInform Abstract: Engineering the Design of Brightly‐Emitting Luminescent Nanostructured Photonic Composite Systems
Authors: Tan Mei Chee , Naczynski Dominik J. , Moghe Prabhas V. , Riman Richard E.
Published: December 2013

Review: 62 refs.
ChemInform Abstract: Fullerene‐Bisadduct Acceptors for Polymer Solar Cells
Authors: Li Yongfang
Published: December 2013

Review: 67 refs.
N‐Heterocyclic Carbenes Catalyzed Phospho‐Aldol Reaction of Aldehydes
Authors: He Lin , Cai Zhihua , Ma Xiaowei , Du Guangfen
Published: November 2013

An efficient phospho‐aldol reaction of aldehydes catalyzed by N‐heterocyclic carbenes (NHCs) has been developed. With 10 mol% stable NHC 1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene, various aldehydes reacted with dialkylphosphites smoothly to provide α‐hydroxy phosphonates in 59% –99% yield. In this process, NHC was assumed to function as a carbon‐centered br?nsted base.
CLIC5 stabilizes membrane‐actin filament linkages at the base of hair cell stereocilia in a molecular complex with radixin, taperin, and myosin VI
Authors: Salles Felipe T. , Andrade Leonardo R. , Tanda Soichi , Grati M'hamed , Plona Kathleen L. , Gagnon Leona H. , Johnson Kenneth R. , Kachar Bechara , Berryman Mark A.
Published: November 2013

Chloride intracellular channel 5 protein (CLIC5) was originally isolated from microvilli in complex with actin binding proteins including ezrin, a member of the Ezrin‐Radixin‐Moesin (ERM) family of membrane‐cytoskeletal linkers. CLIC5 concentrates at the base of hair cell stereocilia and is required for normal hearing and balance in mice, but its functional significance is poorly understood. This study investigated the role of CLIC5 in postnatal development and maintenance of hair bundles. Confocal and scanning electron microscopy of CLIC5‐deficient jitterbug (jbg) mice revealed progressive fusion of stereocilia as early as postnatal day 10. Radixin (RDX), protein tyrosine phosphatase receptor Q (PTPRQ), and taperin (TPRN), deafness‐associated proteins that also concentrate at the base of stereocilia, were mislocalized in fused stereocilia of jbg mice. TPRQ and RDX were dispersed even prior to stereocilia fusion. Biochemical assays showed interaction of CLIC5 with ERM proteins, TPRN, and possibly myosin VI (MYO6). In addition, CLIC5 and RDX failed to localize normally in fused stereocilia of MYO6 mutant mice. Based on these findings, we propose a model in which these proteins work together as a complex to stabilize linkages between the plasma membrane and subjacent actin cytoskeleton at the base of stereocilia. Published 2013‐Wiley Periodicals, Inc. This article is a US government work and, as such, is in the public domain in the United States of America.
Elongation of Discotic Liquid Crystal Strands and Lubricant Effects
Authors: Bhattacharyya Surjya Sarathi , Galerne Yves
Published: December 2013

After a short review on the physics of pulled threads and their mechanical properties, the paper reports and discusses the strand elongation of disordered columnar phases, hexagonal or lamella‐columnar, of small molecules or polymers. The mechanical properties appear to be relevant to the length of the columns of molecules compared to the thread length, instead of the usual correlation length. If, taking the entanglement effect into account, the column length is short, the strand exhibits rather fluid‐like properties that may even look nematic‐like at the macroscopic scale. The Plateau–Rayleigh instability breaks the thread shortly thereafter. However, because the hydrodynamic objects are the columns instead of the molecules, the viscosity is anomalously large. The observations show that the strands in the columnar phases are made of filaments, or fibrils, which are bundles of columns of molecules. This explains the grooves and rings, which are observed on the antenna or bamboo‐like strand profiles. On pulling a strand, the elongation stress eventually exceeds the plasticity threshold, thus breaking the columns and the filaments. As a result, cracks, more exactly, giant dislocations are formed. These change the strand thickness by steps of different birefringence colors. Interestingly, the addition of a solute may drastically change the effective viscosity of the columnar phase and its mechanical properties. Some solutes, such as alkanes, exhibit lubricant and detangling properties, whereas others such as triphenylene, are antilubricant.
Synthesis of 5‐Ethoxymethylfurfural from Fructose and Inulin Catalyzed by a Magnetically Recoverable Acid Catalyst
Authors: Zhang Zehui , Wang Yimei , Fang Zhongfeng , Liu Bing
Published: November 2013

A magnetically recoverable catalyst was conveniently synthesized by the immobilization of sulfonic acid on the surface of silica‐encapsulated Fe3O4 nanoparticles, and it was used to catalyze the conversion of fructose‐based carbohydrates into 5‐ethoxymethylfurfural (EMF). A high EMF yield of 89.3 % was obtained from the etherification of 5‐hydroxymethylfurfural at 100 °C for 10 h. The one‐pot conversion of fructose could produce EMF with a yield of 72.5 %. More importantly, EMF was also obtained in a satisfactory yield of 63.3 % when the polysaccharide inulin was used as the starting material. The excellent EMF yield showed that the catalyst had strong and sufficient acidic sites, which were responsible for the good catalytic performance. After the reaction, the catalyst could be readily removed from the reaction mixture by means of an external magnetic field, and the catalyst could be reused several times without significant loss in its catalytic activity. Incidentally, the product EMF was easily obtained through the evaporation of the solvent, ethanol, under reduced pressure at low temperature (ca. 40 °C), and the ethanol could also be reused. The integrated utilization of a biorenewable feedstock, magnetically recoverable catalyst, and bio‐based green solvent is a typical example of an ideal green chemical process to produce potential liquid fuels.
A Randomized Controlled Trial of a Correspondence‐Based Intervention for Carers of Relatives with Psychosis
Authors: Deane Frank P. , Marshall Sarah , Crowe Trevor , White Angela , Kavanagh David
Published: November 2013

Background

Family members play a crucial role in supporting the recovery of loved ones with psychosis. The journey of recovery is not only traversed by the person experiencing the mental illness but also by their family. Interventions to support these families have traditionally either focused on psychoeducation or addressed problematic interactions or expressed emotion. Family programmes have far less frequently emphasized supporting family members' adjustment to the challenges posed by their relative's disorder or their recovery from associated distress. The study compared a control condition that received only a psychoeducational booklet (Information) and a condition also receiving a correspondence‐based interactive recovery‐oriented intervention (Connections). The Connections group was expected to show greater improvements in recovery knowledge, well‐being, experiences of caregiving, hopefulness and distress.

Method

A randomized controlled trial was conducted to evaluate the effectiveness of two correspondence‐based family interventions delivered to 81 carers of relatives with psychosis.

Results

Intent‐to‐treat analyses showed no differential outcomes between conditions, but an analysis of participants who substantially completed their allocated treatment showed that carers receiving Connections had significantly more improvements in well‐being, positive experiences of caregiving and distress.

Conclusions

Correspondence interventions that support carer's recovery may result in more positive mental health for those who complete key elements of the programme compared with information alone. However, many carers do not complete a correspondence programme and this may limit its impact. Copyright © 2013 John Wiley & Sons, Ltd.

Key Practitioner Message

A focus on recovery‐oriented interventions holds relevance for carers as well as their loved ones with mental illness.

To our knowledge, this is the first randomized controlled trial of a recovery‐focused intervention for carers.

Carers may receive positive mental health benefits from recovery‐focused correspondence programmes to the extent that they can be encouraged to remain engaged with such programmes.
Analysis of a dual‐resonant multiple split‐ring patch antenna
Authors: Islam M. T. , Ullah M. Habib
Published: December 2013

The design and analysis of a new 0.06λ × 0.09λ compact circular polarized square‐shaped dual‐resonant multiple split‐ring patch antenna on a 1.905‐mm‐thick high‐dielectric ceramic–polytetrafluoroethylene composite is presented. The proposed antenna was designed and analyzed by using a high‐frequency electromagnetic simulator based on the finite element method and was fabricated on a printed circuit board. The measured −10 dB return loss bandwidths were 44.44% (0.7–1.1 GHz) and 34% (2.25–3.1 GHz) at 0.9 and 2.5 GHz center frequencies, respectively. The measured radiation patterns with 5.9 and 4.0 dBi maximum gains were symmetric and steady, making the proposed antenna suitable for radio frequency identification, wireless local area network, wireless body area network, Low Rate‐Wireless Personal Area Network (LR‐WPAN), and so on. The effects of linewidth, dielectric property of the substrate materials, and number of split rings on the return loss were investigated. The surface current distribution over the radiating patch and the characteristics of the Resistance, Inductance, Capacitance (RLC) equivalent circuit of the proposed antenna were also analyzed. Copyright © 2013 John Wiley & Sons, Ltd.
Analysis and efficient provisioning of access networks with correlated and bursty arrivals
Authors: Tian Wenhong
Published: November 2013

The statistical multiplexer problem was analyzed extensively in the discrete‐time case within the context of ATM access networks or Internet. Despite the vast literature on ATM multiplexer, this problem has not been satisfactorily analyzed in the continuous‐time case. In this paper, a statistical multiplexer consisting of a single server queue is modeled and analyzed. N identical interrupted Poisson process arrivals flow into the multiplexer are considered, the service time is assumed to be exponentially distributed, and the queue size is infinite. We developed an efficient way to approximate the superposition of n interrupted Poisson process (or n MMPP 2) arrival process by an MMPP 2 through moments and index of dispersion count (IDC) matching. We then find the closed‐form Laplace transform of the departure process of an MMPP 2/M/1 queue. Our results prove that the departure process of an MMPP 2/M/1 queue is not an MMPP 2, which closes the long open problem that whether the departure process of an MMPP/M/1 can be a MMPP. Using Laplace transform matching, we approximated the departure process of an MMPP 2/M/1 by an MMPP 2. These results permit us to analyze a number of statistical multiplexer linked in series as they arise in an access network. Numerical experiments show that approximate analytical results match the simulation results very well. Copyright © 2013 John Wiley & Sons, Ltd.
Noncovalent Chalcogen Bonds and Disulfide Conformational Change in the Cystamine‐Based Hybrid Perovskite [H3N(CH2)2SS(CH2)2NH3]PbIII4
Authors: Louvain Nicolas , Frison Gilles , Dittmer Jens , Legein Christophe , Mercier Nicolas
Published: December 2013

The cystamine‐based hybrid perovskite, α‐[NH3(CH2)2S–S(CH2)2NH3]PbI4 (1a), can be transformed into its polymorph, β‐[NH3(CH2)2S–S(CH2)2NH3]PbI4 (1b), by heat activation (T = 150 °C). The crystal structures have been characterised by single‐crystal X‐ray diffraction, whereas the phase transition was followed by both solid‐state 1H,13C cross‐polarisation magic‐angle spinning (CPMAS) NMR spectroscopy and thermodiffractometry techniques. At 150 °C, compound 1a is transformed into 1b, and, remarkably, the β phase (1b) can be nearly retained down to room temperature, which means that both polymorphs 1a and 1b can coexist over a large temperature range. The structure of 1b has been solved, and it was found that cystamine molecules are disordered over two positions: the two related components with opposite helical conformations. Solid‐state 1H,13C CPMAS NMR spectroscopic measurements show a significant broadening of the NMR spectroscopic line associated with two disordered carbon atoms when cooling 1b from 160 to 50 °C, thereby revealing the presence of exchange between these related atoms, and this favours a molecular dynamical disorder. Disulfide bridges of cystamine molecules are engaged in weak interactions with neighbours, either another cystamine molecule in 1a (SS···SS interactions), or iodine atoms in 1b (SS···I interactions). To evaluate the donating and accepting abilities of the disulfide bridge, and their impact on such weak interactions, a detailed partition of the interaction energy of ten dimer models has been calculated and revealed that the main contribution to the intermolecular bonding comes from the dispersion forces.
Reactivity Consequences of Substituent‐Dependent Preaggregation Motifs of n‐ and tert‐Butyllithium towards 1,3,5‐Triazacyclohexanes
Authors: Hülsmann Matthias , Mix Andreas , Neumann Beate , Stammler Hans‐Georg , Mitzel Norbert W.
Published: November 2013

The cyclic triaminal 1,3,5‐tri‐tert‐butyl‐1,3,5‐triazacyclohexane (TtBuTAC) was treated with tBuLi, but instead of the expected deprotonation at a CH2 unit, the [(TtBuTAC)(tBuLi)] (2) adduct was formed. This is a monomeric tetracoordinate form of tBuLi; its molecular structure was determined by single‐crystal X‐ray diffraction (XRD) and it is likely to be monomeric in C6D6 solution according to 1H NMR, 13C NMR, and 7Li NMR spectroscopy. TtBuTAC reacts with nBuLi to give a laddertype [(TtBuTAC)(nBuLi)2]2 aggregate of four nBuLi units terminated by two TtBuTAC ligands. This adduct was characterized by NMR spectroscopy and XRD. It slowly decays in solution, and minor quantities of a [TtBuTAC‐Li(μ‐nBu)]2[Li3(nBu)2N(tBu)(n‐pent)] product were obtained and characterized by XRD. This compound contains amide units from the reaction of the formal monomer of TtBuTAC, Me3C‐N=CH2, with nBuLi, which demonstrates the different types of reactivity of trisaminals such as TtBuTAC.
Synthesis of Tritium Labelled and Photoactivatable N‐Acyl‐L‐homoserine Lactones: Inter‐Kingdom Signalling Molecules
Authors: Jakubczyk Dorota , Brenner‐Weiss Gerald , Bräse Stefan
Published: November 2013

N‐Acyl‐L‐homoserine lactones (AHLs) are signal molecules that are synthesized in nature by Gram‐negative bacteria. They allow communication between bacteria (quorum sensing) and between microorganisms and their eukaryotic host cells (inter‐kingdom signalling). However, very little is known about the mechanisms of the latter system. Therefore, tritium labelled photoactivatable AHLs were synthesized to identify specific receptors in immune cells (e.g., human polymorphonuclear neutrophils, PMN) that bind to AHL. A photoaffinity label – a diazirine group – was chosen as the smallest possible photoactivatable group that can be activated by light irradiation. The resulting highly active carbene will bind covalently to the closest chemical structure in the pocket of the receptor. The diazirine label was introduced into the AHL molecule according to a literature method. To isolate the labelled receptor from the cellular protein moiety, the AHL was additionally labelled with tritium. During the development of an effective isotopic labelling method, a simple route to hydrogen isotope incorporation into the AHLs was proposed and explored in detail. According to the new protocol, the photoactivatable diazirine‐AHL was labelled with deuterium and tritium by a postsynthetic catalytic exchange of the hydrogen with its isotopes, using deuterium or tritium labelled water along with catalytic amounts of metal salts under mild basic conditions.
On the Dienone Motif of Musks: Synthesis and Olfactory Properties of Partially and Fully Hydrogenated Dienone Musks
Authors: Kraft Philip , Jordi Samuel , Denizot Natacha , Felker Irene
Published: November 2013

Minimum‐energy calculations and the conformation of the (11Z)‐retinylidium moiety in bovine rhodopsin called into doubt that the function of the dienone motif of a new class of musk odorants 1–6 was to stiffen and planarize the compounds. To investigate the function and importance of these double bonds, the three most potent representatives of the family of dienone musks were partially and fully hydrogenated, and the products were evaluated for their olfactory properties. Stryker's method using the Osborn complex and the procedure of Evans and Fu utilizing catecholborane were used for the reduction of the α,β‐double bonds, palladium on CaCO3 was used for the reduction of the γ,δ‐double bonds, and palladium on charcoal was used for the complete hydrogenation of the dienone systems in 2–4. trans‐Configured cyclopentyl derivatives 23 and 24 were synthesized from 4,4‐dimethylcyclohex‐2‐en‐1‐one by Weitz–Scheffer epoxidation, sodium borohydride reduction, rearrangement to the corresponding carbaldehyde using lithium bromide in toluene/HMPT, cuprate alkylation with the tert‐butyl Gilman reagent, aldol condensation with acetone, and optional hydrogenation with palladium on charcoal. Of the synthesized derivatives, only the γ,δ‐unsaturated enones (i.e., 9, 12, and 15) have a typical musk odor, indicating that the γ,δ‐double bond interacts electronically with the musk receptor(s). As enones 9, 12, and 15 are, however, less intense than the parent compounds (i.e., 2–4), the α,β‐double bond seems to intensify the odor strength due to conformational effects. Conformational effects also seem to favor compounds with an endocyclic γ,δ‐double bond over acyclic dienone systems for their intensity and musk character. In acyclic compounds 10 and 13, the α,β‐double bond introduces violet–orris facets.
Stereospecific Synthesis of γ,δ‐Diamino Esters
Authors: Chin Jik , Kwon Soon Ho , Kim Hyunwoo , Chin Peter , So Soon Mog , Kim B. Moon
Published: November 2013

γ,δ‐Diamino acid structural motifs are commonly found in bioactive molecules. We report a one‐pot reaction for the synthesis of γ,δ‐diimino esters with two adjacent chiral centers in enantiomerically pure form through diaza‐Cope rearrangement reaction of diimines formed from (R,R)‐1,2‐bis(2‐hydroxyphenyl)‐1,2‐diaminoethane (hpen) and aldehydes. DFT computation provides interesting insights into the stereospecific rearrangement reaction. The crystal structure of a product diimine formed from the reaction of (R,R)‐hpen and 2,6‐dichlorobenzaldehyde shows that the reaction gives the product diimine in S,S configuration.
A Copper‐Catalyzed One‐Pot, Three‐Component Diastereoselective Synthesis of 3‐Spiroazetidinimine‐2‐oxindoles and Their Synthetic Transformation into Fluorescent Conjugated Indolones
Authors: Periyaraja Somasundharam , Shanmugam Ponnusamy , Mandal Asit Baran
Published: December 2013

A facile and efficient copper(I)‐catalyzed one‐pot, three‐component diastereoselective synthesis that provides new 3‐spiroazetidinimine‐2‐oxindoles in excellent yield has been accomplished. The 3‐spiroazetidinimine‐2‐oxindoles underwent a facile ring‐opening reaction of the spiroazetidinimine unit by treatment with KOH/MeOH and p‐thiocresol under basic conditions to afford two new classes of fluorescent conjugated indolones. This method has general applications with regard to the imines that are derived from 9‐fluorenone, 1,2‐diketones, and 1,2,3‐triketones.
Bounding defaults in egress models
Authors: Gwynne Steven M. V. , Kuligowski Erica , Spearpoint Michael , Ronchi Enrico
Published: November 2013

Egress model developers are in a difficult position. It is in their interest to develop models that are simplified representations of reality and at the same time reduce inadvertent misuse. While default values enable immediate (i.e. out‐of‐the‐box) use of models without in‐depth familiarization with modelling assumptions, defaults often represent optimistic and/or even unrealistic evacuee behaviours. In this paper, the term ‘default’ relates to a preset, fixed setting or value (or distribution) for a parameter or algorithm. Most egress models provide default values for five core behavioural elements: pre‐evacuation time, travel speeds, route usage, route availability and flow conditions. These behavioural elements typically need to be represented in order for the model to function. The authors suggest that bounding default settings, rather than optimistic values, should be provided for each behavioural element. Here, a bounding default setting is a value derived from relevant empirical data that prolongs the overall evacuation time produced for a particular design. If a user wishes to decrease the conservative nature of a setting, he or she would be required to justify the modification of the bounding default value(s). This approach allows immediate model use but forces the user to modify the settings to obtain credible design scenarios. Copyright © 2013 John Wiley & Sons, Ltd.
Paierdorf ventilation facility – design and construction of a complex structure in challenging ground conditions / Das Lüftungsbauwerk Paierdorf – Planung und Herstellung eines komplexen Untertagebauwerks in anspruchsvollen Gebirgsverhältnissen
Authors: Radoncic Nedim , Hölzl Harald , Moritz Bernd , Bacher Wolfgang
Published: December 2013

The Paierdorf ventilation facility is a part and a preparatory contract for the Koralm Tunnel KAT 3 contract, and is situated approximately 3.7 km from the western portal. It consists of a vertical 120 m deep shaft, an 88 m long expanded section of the south tunnel, access tunnel/TBM entry cavern, an approximately 100 m section in the north tunnel and a ventilation tunnel having a length of around 93 m. The shaft, the access tunnel and the top heading of the south tunnel had already been constructed during the extended exploratory programme of the Koralm Tunnel. The TBM entry cavern, the segment of the north tunnel as well as the section in the south tunnel and the ventilation tunnel were then added in 2012. The ventilation tunnel crosses over the south tunnel with a minimal separation of 2.8 m and connects to the vertical shaft.

This geometrical arrangement results in complex geometry of the underground structure and complex geotechnical interaction between the parts. This paper concentrates on the prediction of system behaviour in the design phase with 2D and 3D numerical calculations and the comparison of predicted with observed behaviour during construction.

Das Lüftungsbauwerk Paierdorf – Teil des Koralmtunnels und vorgezogenes Baulos zum Hauptbaulos KAT 3 – befindet sich rund 3,7 km vom Westportal entfernt. Es besteht aus einem 120 m tiefen Schacht, einem rund 88 m langen aufzuweitenden Abschnitt in der Südröhre, einem Zugangstunnel bzw. einer TVM‐Einfahrkaverne, einem rund 100 m langen Abschnitt in der Nordröhre und dem ca. 93 m langen Lüftungstunnel. Der Schacht, der Zugangstunnel und die Kalotte der Südröhre wurden bereits während des weiterführenden Erkundungsprogamms errichtet. Die Einfahrkaverne, der Abschnitt in der Nordröhre sowie die Aufweitung in der Südröhre und der Lüftungstunnel wurden im Zuge der Bauarbeiten im Jahr 2012 aufgefahren. Der Lüftungstunnel kreuzt die Südröhre in einem Vertikalabstand von rund 2,8 m und verbindet die Nordröhre mit dem Lüftungsschacht.

Die geometrische Anordnung aller Bauwerksteile resultiert in einer komplexen Geometrie und einer komplexen geotechnischen Wechselwirkung zwischen den genannten Teilen. Der Beitrag konzentriert sich auf die Vorhersage des Systemverhaltens in der Planungsphase mittels numerischer 2D‐ und 3D‐FE‐Berechnungen und den Vergleich zwischen dem prognostizierten und beobachteten Verhalten in der Phase der Bauausführung.
The New Semmering Base Tunnel – project overview / Der Semmering‐Basistunnel neu – das Projekt im Überblick
Authors: Gobiet Gerhard
Published: December 2013

The New Semmering Base Tunnel (SBTn) has been designed with a flat gradient to meet the requirement for uniform high‐speed rail infrastructure for the new Südbahn line, which is considered an internationally significant transport corridor for Austria as an industrial location. The 27.3 km tunnel is divided into a number of construction sections with separate contracts due to the geological and hydrogeological conditions. In addition to the tunnel drives from the Gloggnitz portal, the tunnel will also be driven from three intermediate starting points. The individual tunnelling contracts will be started at intervals of about one year. The first tunnelling contract starts in 2014 in the Fröschnitzgraben, the drives in Gloggnitz and the intermediate starting point at Göstritz in 2015 and the tunnel drive in Grautschenhof from 2016. From 2021, when all tunnelling works have been completed and the structure of the two running tunnels has been completed, the installation of the tunnel equipment will start. Opening for service is intended for the end of 2014.

Der Semmering‐Basistunnel neu (SBTn) wurde gemäß den Vorgaben zur Bereitstellung einer einheitlich leistungsfähigen Eisenbahninfrastruktur für die neue Südbahn, die als international bedeutende Verkehrsachse für den Wirtschaftsstandort Österreich gilt, mit einer flachen Neigung konzipiert. Der 27,3 km lange Tunnel wird aufgrund der geologischen und hydrogeologischen Verhältnisse sowie der baulogistischen und tunnelbautechnischen Anforderungen in mehreren Bauabschnitten mit unterschiedlichen Baulosen errichtet. Neben den Vortrieben vom Portal Gloggnitz wird der Tunnel über drei Zwischenangriffe aufgefahren. Die einzelnen Tunnelbaulose werden gestaffelt in Abständen von etwa einem Jahr begonnen. Das erste Tunnelbaulos startet 2014 im Fröschnitzgraben, 2015 beginnen die Vortriebe in Gloggnitz und beim Zwischenangriff Göstritz, ab 2016 erfolgt der Tunnelvortrieb in Grautschenhof. Ab 2021, wenn alle Vortriebsarbeiten abgeschlossen und die beiden Tunnelröhren im Rohbau durchgängig fertiggestellt sind, beginnt der Einbau der Tunnelausrüstung. Die Inbetriebnahme ist Ende 2024 vorgesehen.
Use of recycled material for segments and inner lining – first experience of on‐site processing on KAT 2 / Verwendung von Tunnelausbruchmaterial – von der TBM bis zum Tübbing, erste Erfahrungen mit der Materialaufbereitung vor Ort im Baulos KAT 2
Authors: Huber Helmut , Kratochwill Raimund , Otto Richard
Published: December 2013

In order to preserve the environment and save resources, Austrian Railways ÖBB have decided to recycle material excavated from contract KAT 2 of the 32.9 km long Koralm Tunnel and process it as aggregates for concrete production. This leads to a saving of gravel resources, reduction of transport routes and reduction of the required landfill areas. The rock mass, which is predominantly formed of schistose gneisses and gneisses with inclusions of mica schist, amphibolites and marbles, is being bored by tunnel boring machines. The material excavated from the tunnel is being recycled on site by processing for concrete aggregates.

Die ÖBB haben sich aus umwelt‐ und ressourcenschonenden Aspekten beim Bau des 32,9 km langen Koralmtunnels im Baulos KAT 2 für die Verwendung des Tunnelausbruchs für die Aufbereitung von Gesteinskörnungen zur Betonherstellung entschieden. Dadurch ergibt sich eine Schonung der Kiesrohstoffe, Verringerung der Transportwege und Verkleinerung der erforderlichen Deponieflächen. Das Gebirge, vorwiegend aus Schiefergneisen und Gneisen mit Einschaltungen von Glimmerschiefern, Amphiboliten und Marmoren aufgebaut, wird mit Tunnelvortriebsmaschinen aufgefahren. Das anfallende Tunnelausbruchmaterial wird auf der Baustelle zu Betonzuschlagstoff aufbereitet.
Does omega‐3 fatty acid supplementation enhance neural efficiency? A review of the literature
Authors: Bauer Isabelle , Crewther Sheila , Pipingas Andrew , Sellick Laura , Crewther David
Published: November 2013

Objective

While the cardiovascular, anti‐inflammatory and mood benefits of omega‐3 supplementation containing long chain fatty acids (LCPUFAs) such as docosahexaenoic acid (DHA) and eicosapentaenoic acid (EPA) are manifest, there is no scientific consensus regarding their effects on neurocognitive functioning. This review aimed to examine the current literature on LCPUFAs by assessing their effects on cognition, neural functioning and metabolic activity. In order to view these findings together, the principle of neural efficiency as established by Richard Haier (“smart brains work less hard”) was extended to apply to the neurocognitive effects of omega‐3 supplementation.

Methods

We reviewed multiple databases from 2000 up till 2013 using a systematic approach and focused our search to papers employing both neurophysiological techniques and cognitive measures.

Results

Eight studies satisfied the criteria for consideration. We established that studies using brain imaging techniques show consistent changes in neurochemical substances, brain electrical activity, cerebral metabolic activity and brain oxygenation following omega‐3 supplementation.

Conclusions

We conclude that, where comparison is available, an increase in EPA intake is more advantageous than DHA in reducing “brain effort” relative to cognitive performance. Copyright © 2013 John Wiley & Sons, Ltd.
Snow cover estimation using blended MODIS and AMSR‐E data for improved watershed‐scale spring streamflow simulation in Quebec, Canada
Authors: Bergeron Jean , Royer Alain , Turcotte Richard , Roy Alexandre
Published: November 2013

Estimation of the amount of water stored in snow is a principal source of error for spring streamflow simulations in snow‐dominant regions. Measuring this variable throughout large and often remote areas using snow surveys is an expensive task since they are practically point measurements. Remote sensing is an alternative method, which can cover much larger areas in little time, but further research is required to reduce uncertainties on snow water equivalent (SWE) estimations, especially during the melting period. However, optical‐near infrared (NIR) and passive microwave remote sensing can detect snow cover area (SCA) with greater certainty, which can be used as a proxy for SWE. The two datasets work in complementary ways considering their spatial resolutions and cloud cover limitations. This study developed an SCA product from blended passive microwave (Advanced Microwave Scanning Radiometer ‐ Earth Observing System: AMSR‐E) and optical‐NIR (Moderate Resolution Imaging Spectroradiometer: MODIS) remote sensing data to improve estimates of streamflow caused by snowmelt during the spring period. The blended product was assimilated in a snowmelt model (SPH‐AV) coupled with the MOHYSE hydrological model through a modified direct insertion method. SCA estimated from AMSR‐E data was first compared with in situ snow‐depth measurements and SCA estimated with MODIS. Results showed an agreement of over 95% between AMSR‐E‐derived and cloud‐free MODIS‐derived SCA products in the spring. Comparison with ground stations confirmed the underestimation of snow cover by AMSR‐E. Assimilation of the blended snow product in SPH‐AV coupled with MOHYSE yielded an overall improvement of the Nash–Sutcliffe coefficient comparable with simulations with no updates, which is comparable to results driven by biweekly snow surveys. Assimilation of remotely sensed passive microwave data was also found to have little positive impact on streamflow simulation due to the difficulty of differentiating melting snow from snow‐free surfaces. © 2013 The Authors. Hydrological Processes published by John Wiley & Sons Ltd.
Intravital biobank and personalized cancer therapy: The correlation with omics
Authors: Luo Jie , Guo Xing‐Rong , Tang Xiang‐Jun , Sun Xu‐Yong , Yang Zhuo‐Shun , Zhang Yong , Dai Long‐Jun , Warnock Garth L.
Published: November 2013

Biobanks have played a decisive role in all aspects of the field of cancer, including pathogenesis, diagnosis, prognosis and treatment. The significance of cancer biobanks is epitomized through the appropriate application of various “‐omic” techniques (omics). The mutually motivated relationship between biobanks and omics has intensified the development of cancer research. Human cancer tissues that are maintained in intravital biobanks (or living tissue banks) retain native tumor microenvironment, tissue architecture, hormone responsiveness and cell‐to‐cell signalling properties. Intravital biobanks replicate the structural complexity and heterogeneity of human cancers, making them an ideal platform for preclinical studies. The application of omics with intravital biobanks renders them more active, which makes it possible for the cancer‐related evaluations to be dynamically monitored on a real‐time basis. Integrating intravital biobank and modern omics will provide a useful tool for the discovery and development of new drugs or novel therapeutic strategies. More importantly, intravital biobanks may play an essential role in the creation of meaningful patient‐tailored therapies as for personalized medicine.
Welcoming Taye
Authors: Dara Hill K.
Published: December 2013

This case study narrative examines the circumstances underlying problems of residency in an affluent Midwest suburb experiencing an unexpected influx of working class African American students. Dilemmas engender a cultural mismatch between teachers and students and discomfort with African‐American males. In a controversial climate where students cross the boundary line in search for educational parity, this article examines a culturally responsive grade 7 English teacher who welcomed Taye, an African‐American male who enrolled midyear. Examined is how Taye responded to his teacher's use of controversial peer and teacher‐led discussion of multicultural curriculum titles. As suburban schools are becoming more racially diverse, this article presents an argument for culturally responsive pedagogy and a need for all teachers to be prepared to teach African‐American males.
What Matters Most
Authors: Beers Kylene
Published: December 2013

Meeting today's challenges in education requires more than adopting new standards. We must ask ourselves if our schools are intellectual communities, places where students are challenged to become the creative, collaborative, questioning thinkers we need them to be.
Professional Resources
Authors: Haddix Marcelle M.
Published: December 2013

This column provides reviews of adolescent and adult professional resources and provides a valuable resource for professional resource selection in‐ and outside the classroom.
A combined semiempirical and DFT computational protocol for studying bioorganometallic complexes: Application to molybdocene–cysteine complexes
Authors: Suárez Dimas , Díaz Natalia , López Ramón
Published: December 2013

Computational methods can help in the design of new bioorganometallic compounds. However, the presence of multihapto or σ/π metal‐ligand bonding still precludes the direct application of either pure molecular mechanics (MM) or hybrid quantum mechanics‐MM methods to study the flexibility of biomolecules in complex with organometallics. Herein, we present a computational protocol aimed to the evaluation of the relative free energies of bioorganometallic compounds, which explores the conformational space by means of Molecular Dynamics simulations using the semiempirical PM6 method coupled with the COnductor‐like Screening MOdel solvation model followed by density functional theory (DFT) calculations including the DFT‐D3 dispersion energy correction on the most stable conformers. This protocol is applied to investigate the complexes formed between cysteine and the molybdocene entity Cp2Mo2+ (Cpη5C5H5), which has received considerable attention due to its potential antitumor activity and chemical reactivity. The calculated structures and free energies are in agreement with those of the experimentally detected molybdocene‐cysteine adducts and allow us to investigate the reaction mechanism for the formation of the most stable 1:1 and 1:2 adducts. © 2013 Wiley Periodicals, Inc.