bluuebunny/crossref_metadata_2025 huggingface dataset:
Inversion upstream of FOXF1 in a case of lethal alveolar capillary dysplasia with misalignment of pulmonary veins
Authors: Parris Toshima , Nik Ali Moussavi , Kotecha Sailesh , Langston Claire , Helou Khalil , Platt Craig , Carlsson Peter
Published: February 2013

Alveolar capillary dysplasia with misalignment of pulmonary veins (ACDMPV) is a congenital malformation that leads to severe pulmonary hypertension and respiratory failure. It has been associated with deletion of, or mutation in, FOXF1 on 16q24.1, a gene encoding a forkhead transcription factor expressed in the mesenchyme of the developing lung. Here we report on the identification of a pericentric inversion on chromosome 16 (p11.2q24.1) in a case of lethal ACDMPV with atrioventricular septal defect and duodenal atresia. Array‐CGH indicated that the inversion is balanced, and FISH showed that the q‐arm breakpoint occurs 134 ± 10 kb upstream (5′; centromeric) of FOXF1. This is suggestive of cis‐regulatory elements located more than 130 kb 5′ of FOXF1, and analysis of genome‐wide data sets of chromatin modifications in two different cell types suggested that the FOXF1 regulatory domain covers more than 300 kb, and perhaps up to 433 kb, upstream of the gene, but only 3 kb downstream. The 588 kb gene‐free region between FOXF1 and the next gene in the centromeric direction, IRF8, is highly conserved between species and divided into two distinct regulatory domains by an insulator element. Another putative insulator occurs just downstream of FOXF1. Our results further strengthen the association between FOXF1 and a spectrum of malformations that include ACDMPV, atrioventricular septal defects, and gastrointestinal atresia. Furthermore, the presented analysis aids in defining the critical genomic region for this syndrome. © 2013 Wiley Periodicals, Inc.
Daughter dearest: Sex‐biased calcium in mother's milk among rhesus macaques
Authors: Hinde Katie , Foster Alison B. , Landis Lauren M. , Rendina Danielle , Oftedal Olav T. , Power Michael L.
Published: March 2013

Mother's milk provides building blocks necessary for infant development and growth postnatally. Minerals in milk are particularly important for infant skeletal development and may reflect maternal characteristics that are associated with the capacity to synthesize milk and sex‐specific developmental priorities of the infant. Using a large sample of mother–infant dyads assigned to the outdoor breeding colony at the California National Primate Research Center (N=104), we investigated the relationship of milk calcium (Ca) and phosphorus (P) concentrations and the ratio ofCa/Pto maternal and infant characteristics and to other milk variables.CaandPare largely associated with casein micelles, and as expected, bothCaandPwere positively correlated with protein concentrations in milk. NeitherCanorPconcentrations were associated with maternal parity. Mothers rearing daughters tended to produce higher meanCaconcentration in milk, and consequently a higherCa/Pratio, than did mothers rearing sons, even though protein concentration was not elevated. These results suggest that theCa/Pratio in rhesus milk may have been under separate selective pressure from protein content to facilitate the accelerated rate of skeletal calcification that has been observed in femaleMacaca mulattainfants. Am J Phys Anthropol 151:144–150, 2013. © 2013 Wiley Periodicals, Inc.
Effect of the mass ratio of Fe3O4/PAA on separation properties and the extractive amount of Fe3O4 during the formation of Fe3O4‐PES ultrafiltration membranes
Authors: Huang Zheng‐Qing , Chen Ya‐Shu , Chen Zhi‐Wei , Nie Long‐Hui , Zhang Zhi , Xu Hong‐Tao , Zhou Kai‐Mei
Published: March 2013

A series of Fe3O4‐PES ultrafiltration membranes with different mass ratios of Fe3O4 and PAA were prepared from suspensions, using the phase inversion process. The suspensions consisted of polyether sulfone (PES), dimethyl formamide, polyacrylic acid (PAA), and ferrosoferric oxide (Fe3O4). The separation properties of ultrafiltration membranes with different Fe3O4/PAA mass ratio were investigated by a cross‐flow experimental system. The Fe3O4/PAA mass ratio had little effect on the rejection of membranes to BSA. However, the pure water flux had a slight decline and then rised rapidly with the increase of Fe3O4/PAA mass ratio. An interesting phenomenon observed was that the Fe3O4 particles could diffuse into the nonsolvent bath during the formation of membrane, and the amount of Fe3O4 extracted into the nonsolvent bath nearly kept a constant mass ratio to PAA, even if the Fe3O4/PAA proportion was changed. The reasons of this interesting phenomenon were investigated. This result indicates that modified inorganic fillers may be used as the pore‐forming agent to prepare the porous membranes like the template leaching method. At the same time, this method does not use any strong acid or base. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Brief Report: Susceptibility to Childhood‐Onset Rheumatoid Arthritis: Investigation of a Weighted Genetic Risk Score That Integrates Cumulative Effects of Variants at Five Genetic Loci
Authors: Prahalad Sampath , Conneely Karen N. , Jiang Yunxuan , Sudman Marc , Wallace Carol A. , Brown Milton R. , Ponder Lori A. , Rohani‐Pichavant Mina , Zwick Michael E. , Cutler David J. , Angeles‐Han Sheila T. , Vogler Larry B. , Kennedy Christine , Rouster‐Stevens Kelly , Wise Carol A. , Punaro Marilynn , Reed Ann M. , Mellins Elizabeth D. , Bohnsack John F. , Glass David N. , Thompson Susan D.
Published: March 2013

Objective

Children with childhood‐onset rheumatoid arthritis (RA) include those with rheumatoid factor or anti–citrullinated protein antibody–positive juvenile idiopathic arthritis. To test the hypothesis that adult‐onset RA–associated variants are also associated with childhood‐onset RA, we investigated RA‐associated variants at 5 loci in a cohort of patients with childhood‐onset RA. We also assessed the cumulative association of these variants in susceptibility to childhood‐onset RA using a weighted genetic risk score (wGRS).

Methods

A total of 155 children with childhood‐onset RA and 684 healthy controls were genotyped for 5 variants in the PTPN22, TRAF1/C5, STAT4, and TNFAIP3 loci. High‐resolution HLA–DRB1 genotypes were available for 149 cases and 373 controls. We tested each locus for association with childhood‐onset RA via logistic regression. We also computed a wGRS for each subject, with weights based on the natural log of the published odds ratios (ORs) for the alleles investigated, and used logistic regression to test the wGRS for association with childhood‐onset RA.

Results

Childhood‐onset RA was associated with TNFAIP3 rs10499194 (OR 0.60 [95% confidence interval 0.44–0.83]), PTPN22 rs2476601 (OR 1.61 [95% confidence interval 1.11–2.31]), and STAT4 rs7574865 (OR 1.41 [95% confidence interval 1.06–1.87]) variants. The wGRS was significantly different between cases and controls (P < 2 × 10−16). Individuals in the third to fifth quintiles of wGRS had a significantly increased disease risk compared to baseline (individuals in the first quintile). Higher wGRS was associated with increased risk of childhood‐onset RA, especially among males.

Conclusion

The magnitude and direction of the association between TNFAIP3, STAT4, and PTPN22 variants and childhood‐onset RA are similar to those observed in RA, suggesting that adult‐onset RA and childhood‐onset RA share common genetic risk factors. Using a wGRS, we have demonstrated the cumulative association of RA‐associated variants with susceptibility to childhood‐onset RA.
Evaluating the influence of selection markers on obtaining selected pools and stable cell lines in human cells
Authors: Lanza Amanda M. , Kim Do Soon , Alper Hal S.
Published: March 2013

Selection markers are common genetic elements used in recombinant cell line development. While several selection systems exist for use in mammalian cell lines, no previous study has comprehensively evaluated their performance in the isolation of recombinant populations and cell lines. Here we examine four antibiotics, hygromycin B, neomycin, puromycin, and Zeocin™, and their corresponding selector genes, using a green fluorescent protein (GFP) as a reporter in two model cell lines, HT1080 and HEK293. We identify Zeocin™ as the best selection agent for cell line development in human cells. In comparison to the other selection systems, Zeocin™ is able to identify populations with higher fluorescence levels, which in turn leads to the isolation of better clonal populations and less false positives. Furthermore, Zeocin™‐resistant populations exhibit better transgene stability in the absence of selection pressure compared to other selection agents. All isolated Zeocin™‐resistant clones, regardless of cell type, exhibited GFP expression. By comparison, only 79% of hygromycin B‐resistant, 47% of neomycin‐resistant, and 14% of puromycin‐resistant clones expressed GFP. Based on these results, we rank Zeocin™ > hygromycin B ∼ puromycin > neomycin for cell line development in human cells. Furthermore, this study demonstrates that selection marker choice does indeed impact cell line development.
Investigating proline puckering states in diproline segments in proteins
Authors: Saha Indranil , Shamala Narayanaswamy
Published: February 2013

In the current study, the puckering states of the Proline ring occurring in diproline segments (LPro‐LPro) in proteins has been investigated with a segregation made on the basis of cis and trans states for the Pro‐Pro peptide bond and the conformational states for the diproline segment to investigate the effects of conformation of the diproline segment on the corresponding puckering state of the Proline ring in the segment if any. The value of the endocyclic ring torsional angles of the pyrrolidine ring has been used for calculating and visualizing various puckering states using a proposed new sign convention (+/−) nomenclature. The results have been compared to that obtained in a previous study on peptides from this group. In this study, quite interestingly, the Planar (G) conformation that was present in 14.3% of the cases in peptides, appears to be nearly a rare conformation in the case of proteins (1.9%). The present study indicates that the (Cγ‐exo/Cγ‐exo), (Cγ‐exo/Twisted Cγ‐exo‐Cβ‐endo) and (Twisted Cγ‐endo‐Cβ‐exo/Twisted Cγ‐endo‐Cβ‐exo) categories are the most preferred combinations. For Proline rings in proteins, the states Cγ‐exo, Twisted Cγ‐exo‐Cβ‐endo and Twisted Cγ‐endo‐Cβ‐exo are the most preferred states. Within diproline segments, the pyrrolidine ring conformations do not show a strong co‐relation to the backbone conformation in which they are observed. It is likely that five‐membered rings have a considerable plasticity of structure and are readily deformed to accommodate a variety of energetically preferred backbone conformations. © 2013 Wiley Periodicals, Inc. Biopolymers 99: 605–610, 2013.
ASIS&T annual meeting pre‐conference activities: The history of ASIS&T and information science and technology
Authors: Miller Karen
Published: February 2013

Editor's Summary

A highlight of the 2012 ASIS&T Annual Meeting, the pre‐conference session on the History of ASIS&T and Information Science and Technology Worldwide drew presenters and attendees from around the globe. The day featured papers on four historical themes, starting with the institutional roots of ASIS&T and recognizing decades of research presented in the Annual Review of Information Science and Technology. The evolution of the field was apparent through a review of information revolutions prompted by the printing press, the post‐World War II information crisis and the Internet, as well as through presentations on digital curation, ongoing work on relevance, sense‐making theory and developments from Croatia to France. Discussion of the historical contexts of technology innovations and impacts considered photographic documentary techniques, binary computing and networking standards. The development of foundational ideas was explored through presentations on pioneering document indexing methods, the semantic challenge of term‐oriented retrieval, early European perceptions of classification systems and the French view of communication and information science. Efforts to deepen the historical understanding of information science and technology will continue through oral history interviews, funded research and awards for outstanding papers.
Street Boys and Girls: A Case Study in Mauritania
Authors: Ballet Jérôme , Bhukuth Augendra , Radja Katia
Published: February 2013

The phenomenon of street children could have gender‐specific aspects. The cultural hypothesis emphasises the fact that the social roles assigned to boys and girls lead to gender‐based differences in the way that the process of migration onto the street is viewed. The validity of this hypothesis is tested using data on street children in Mauritania. Our study analyses the family background of the children. The results support this hypothesis. Copyright © 2013 John Wiley & Sons, Ltd.

‘The phenomenon of street children could have gender‐specific aspects’

Key Practitioner Message:

Studies on street children do not usually provide comparison between boys and girls despite gender specificities being important.

Differences in family structure have been correlated to child gender. For example, parental absence.

No significant difference emerged in terms of physical violence between the two groups in the typology.
Behavioural and Emotional Profiles of Romanian Foster Children: A Brief Report
Authors: Rus Adrian V. , Ito‐Jäger Sachiyo , Parris Sheri R. , Cross David , Purvis Karyn , Drăghici Simona
Published: February 2013

Key Practitioner Messages:

Romanian teachers tend to report more problem behaviours than foster parents.

Foster children scored better than norms on some behaviour scales (girls had fewer internalising problems; boys had fewer attention problems).

Scores that were worse than norms may be linked to their previous institutionalisation.

Scores that were better than norms may indicate that foster care in Romania may provide living conditions that are equal to or better than conditions for children living with biological families.
Luminescent Conjugated Oligothiophenes for Sensitive Fluorescent Assignment of Protein Inclusion Bodies
Authors: Klingstedt Therése , Blechschmidt Cristiane , Nogalska Anna , Prokop Stefan , Häggqvist Bo , Danielsson Olof , Engel W. King , Askanas Valerie , Heppner Frank L. , Nilsson K. Peter R.
Published: March 2013

Small hydrophobic ligands identifying intracellular protein deposits are of great interest, as protein inclusion bodies are the pathological hallmark of several degenerative diseases. Here we report that fluorescent amyloid ligands, termed luminescent conjugated oligothiophenes (LCOs), rapidly and with high sensitivity detect protein inclusion bodies in skeletal muscle tissue from patients with sporadic inclusion body myositis (s‐IBM). LCOs having a conjugated backbone of at least five thiophene units emitted strong fluorescence upon binding, and showed co‐localization with proteins reported to accumulate in s‐IBM protein inclusion bodies. Compared with conventional amyloid ligands, LCOs identified a larger fraction of immunopositive inclusion bodies. When the conjugated thiophene backbone was extended with terminal carboxyl groups, the LCO revealed striking spectral differences between distinct protein inclusion bodies. We conclude that 1) LCOs are sensitive, rapid and powerful tools for identifying protein inclusion bodies and 2) LCOs identify a wider range of protein inclusion bodies than conventional amyloid ligands.
Initial DNA Interactions of the Binuclear Threading Intercalator Λ,Λ‐[μ‐bidppz(bipy)4Ru2]4+: An NMR Study with [d(CGCGAATTCGCG)]2
Authors: Wu Lisha , Reymer Anna , Persson Cecilia , Kazimierczuk Krzysztof , Brown Tom , Lincoln Per , Nordén Bengt , Billeter Martin
Published: March 2013

Binuclear polypyridine ruthenium compounds have been shown to slowly intercalate into DNA, following a fast initial binding on the DNA surface. For these compounds, intercalation requires threading of a bulky substituent, containing one RuII, through the DNA base‐pair stack, and the accompanying DNA duplex distortions are much more severe than with intercalation of mononuclear compounds. Structural understanding of the process of intercalation may greatly gain from a characterisation of the initial interactions between binuclear RuII compounds and DNA. We report a structural NMR study on the binuclear RuII intercalator Λ,Λ‐B (Λ,Λ‐[μ‐bidppz(bipy)4Ru2]4+; bidppz=11,11′‐bis(dipyrido[3,2‐a:2′,3′‐c]phenazinyl, bipy = 2,2′‐bipyridine) mixed with the palindromic DNA [d(CGCGAATTCGCG)]2. Threading of Λ,Λ‐B depends on the presence and length of AT stretches in the DNA. Therefore, the latter was selected to promote initial binding, but due to the short stretch of AT base pairs, final intercalation is prevented. Structural calculations provide a model for the interaction: Λ,Λ‐B is trapped in a well‐defined surface‐bound state consisting of an eccentric minor‐groove binding. Most of the interaction enthalpy originates from electrostatic and van der Waals contacts, whereas intermolecular hydrogen bonds may help to define a unique position of Λ,Λ‐B. Molecular dynamics simulations show that this minor‐groove binding mode is stable on a nanosecond scale. To the best of our knowledge, this is the first structural study by NMR spectroscopy on a binuclear Ru compound bound to DNA. In the calculated structure, one of the positively charged Ru2+ moieties is near the central AATT region; this is favourable in view of potential intercalation as observed by optical methods for DNA with longer AT stretches. Circular dichroism (CD) spectroscopy suggests that a similar binding geometry is formed in mixtures of Λ,Λ‐B with natural calf thymus DNA. The present minor‐groove binding mode is proposed to represent the initial surface interactions of binuclear RuII compounds prior to intercalation into AT‐rich DNA.
Enantioselective Total Synthesis of (+)‐Ophiobolin A
Authors: Tsuna Kazuhiro , Noguchi Naoyoshi , Nakada Masahisa
Published: March 2013

The enantioselective total synthesis of (+)‐ophiobolin A is described. This total synthesis features the construction of the spiro CD ring of (+)‐ophiobolin A through a stereoselective intramolecular Hosomi–Sakurai cyclization reaction, the joining of the A ring to the CD ring by using a reaction reported by Utimoto, and the construction of the ophiobolin eight‐membered carbocyclic ring through ring‐closing metathesis (RCM), which was performed for the first time in this study. This successful RCM reaction required the use of a substrate that contained either a benzyloxy or a methoxymethoxy group at the C5 position and either an isopropenyl group or its hydroxylated form at the C6 position.
ChemInform Abstract: The Crystal and Electronic Structures of the Li2‐xAg1+xIn3 (x = 0.05) Indide.
Authors: Chumak Ihor , Pavlyuk Volodymyr , Dmytriv Grygoriy , Pauly Hermann , Ehrenberg Helmut
Published: March 2013

Li1.95Ag1.05In3 is prepared from the elements (Ta crucible, 1100 °C for 15 min followed by annealing at 150 °C for 1 month) and characterized by single crystal XRD and TB‐LMTO‐ASA computations.
ChemInform Abstract: Physical Properties of Double Perovskite‐Type Barium Neodymium Osmate Ba2NdOsO6.
Authors: Wakeshima Makoto , Hinatsu Yukio , Ohoyama Kenji
Published: March 2013

The title compound is synthesized from stoichiometric mixtures of BaO2, Os, and Nd2O3 (Pt crucible, Ag2O as oxygen donor in a second Pt crucible, 1270 K, 6 h).
ChemInform Abstract: Structure and Optical Properties of a Noncentrosymmetric Borate RbSr4(BO3)3.
Authors: Xia M. J. , Li R. K.
Published: March 2013

Single crystals of the new title compound are prepared by reaction of Rb2CO3, SrCO3, and H3BO3 using RbF as a fluxing agent (Pt crucible, 1020 °C, 24 h).
ChemInform Abstract: Synthesis and Crystal Structure of Mg0.5NbO2: An Ion‐Exchange Reaction with Mg2+ Between Trigonal [NbO2]‐ Layers.
Authors: Miura Akira , Takei Takahiro , Kumada Nobuhiro
Published: March 2013

The title compound is synthesized from LiNbO2 through a cation exchange reaction with MgCl2 using a KCl/MgCl2 flux (graphite crucible, 450—550 °C, 1—5 h).
ChemInform Abstract: Syntheses, Crystal Structures and Characterizations of Two New Bismuth(III) Arsenites.
Authors: Liu Jun‐Hui , Kong Fang , Gai Yan‐Li , Mao Jiang‐Gao
Published: March 2013

Compound (IV) crystallizes in the monoclinic space group C2/c with Z = 8.
ChemInform Abstract: Determination of a New Structure Type in the Sc—Fe—Ge—Sn System.
Authors: Brgoch Jakoah , Ran Sheng , Thimmaiah Srinivasa , Canfield Paul C. , Miller Gordon J.
Published: March 2013

Sc4Fe5Ge6.10Sn1.47 is identified as a product of the reaction of Sc, Fe, and Ge in a Sn flux.
ChemInform Abstract: Anodic Generation of a Zirconium Catalyst for Ferrier Rearrangement and Hetero Michael Addition.
Authors: Stevanovic Dragana , Pejovic Anka , Damljanovic Ivan , Vukicevic Mirjana , Bogdanovic Goran A. , Vukicevic Rastko D.
Published: March 2013

Eletrolysis with a Zr anode generates a soluble zirconium species which promotes the Ferrier rearrangement of peracylated glucal (I) in the presence of nucleophiles and the hetero Michael addition of nucleophiles to enone (VII)
ChemInform Abstract: Enantioselective Rhodium‐Catalyzed Nucleophilic Allylation of Cyclic Imines with Allylboron Reagents.
Authors: Luo Yunfei , Hepburn Hamish B. , Chotsaeng Nawasit , Lam Hon Wai
Published: March 2013

The title reaction represents the first rhodium‐catalyzed enantioselective nucleophilic allylation of π‐electrophiles with allylboron compounds.
ChemInform Abstract: Regioselective Addition Reactions of 3‐Phenylsulfonyl‐2‐trifluoromethyl‐1,3‐butadiene with Nucleophiles.
Authors: Yang Eun Joon , Jeon Sung Lan , Jeong In Howa
Published: March 2013

The regioselective addition of various nucleophiles to title compound (I) is studied.
ChemInform Abstract: Selective Reduction of Ketones Using Water as a Hydrogen Source under High Hydrostatic Pressure.
Authors: Tomin Anna , Lazarev Alexander , Bere Metthew P. , Redjeb Hana , Toeroek Bela
Published: March 2013

Acyclic, cyclic, and aryl ketones are transformed to their corresponding secondary alcohols without the use of any base.
ChemInform Abstract: CHBr3/TiCl4/Mg as an Unusual Nucleophilic CBr2 Carbenoid. Effective and Chemoselective Dibromomethylenation of Aldehydes and Ketones.
Authors: Bhorge Yeshwant Ramchandra , Chang Cheng‐Ta , Chang Su‐Haur , Yan Tu‐Hsin
Published: March 2013

The method can be applied to enolizable and sterically hindered ketones.
ChemInform Abstract: Umpolung of Fluoroform by C—F Bond Activation: Direct Difluoromethylation of Lithium Enolates.
Authors: Iida Toshiaki , Hashimoto Ryota , Aikawa Kohsuke , Ito Shigekazu , Mikami Koichi
Published: March 2013

The method allows the creation of difluoromethyl‐functionalized all‐carbon quaternary centers in various types of compounds.
ChemInform Abstract: Practical Method for the Cu‐Mediated Trifluoromethylation of Arylboronic Acids with CF3 Radicals Derived from NaSO2CF3 and tert‐Butyl Hydroperoxide (TBHP).
Authors: Ye Yingda , Kuenzi Stefan A. , Sanford Melanie S.
Published: March 2013

Various important (hetero)aromatic structural motifs are available under mild conditions.
ChemInform Abstract: NaOH‐Catalyzed Imine Synthesis: Aerobic Oxidative Coupling of Alcohols and Amines.
Authors: Donthiri Ramachandra Reddy , Patil Rajendra D. , Adimurthy Subbarayappa
Published: March 2013

A wide range of imines is synthesized by the present oxidative coupling of alcohols and amines which is catalyzed by NaOH under aerobic conditions.
ChemInform Abstract: One‐Pot Synthesis of Amides from Aldehydes and Amines via C—H Bond Activation.
Authors: Cadoni Roberta , Porcheddu Andrea , Giacomelli Giampaolo , De Luca Lidia
Published: March 2013

Aliphatic and aromatic aldehydes and a series of mono‐or disubstituted amines can be used for the process.
ChemInform Abstract: Synthesis of the 3,4,5‐Trimethoxy‐2‐(3,4‐methylenedioxy‐6‐nitrophenyl)benzaldehyde for Divergent Preparation of Cytotoxic Biaryls.
Authors: Labruere Raphael , Helissey Philippe , Desbene‐Finck Stephanie , Giorgi‐Renault Sylviane
Published: March 2013

An optimized procedure is elaborated for the preparation of the target compound (II) from the known aldehyde precursor (I).
ChemInform Abstract: Palladium Catalyzed Direct α‐Arylation of α,α‐Difluoroketones with Aryl Bromides.
Authors: Guo Chen , Wang Ruo‐Wen , Qing Feng‐Ling
Published: March 2013

A straightforward and efficient access to a variety of α‐aryl‐α,α‐difluoroketones (III) is described.
ChemInform Abstract: Two‐Step One‐Pot Synthesis of Benzoannulated Spiroacetals by Suzuki—Miyaura Coupling/Acid‐Catalyzed Spiroacetalization.
Authors: Butkevich Alexey N. , Corbu Andrei , Meerpoel Lieven , Stansfield Ian , Angibaud Patrick , Bonnet Pascal , Cossy Janine
Published: March 2013

Tosylate and chloride as leaving group of the benzyl alcohol prevent a reaction under conditions A), but they are tolerated as substituents at the aromatic ring [cf.(IIIc) and (IIIf)].
ChemInform Abstract: Synthesis of 2‐Phenyl‐4,5,6,7‐tetrahydro‐1H‐indoles with a Chiral Substituent at the Nitrogen Atom
Authors: Andreev I. A. , Ryzhkov I. O. , Kurkin A. V. , Yurovskaya M. A.
Published: March 2013

based on the opening of epoxide (I) with chiral amines or amino acids and subsequent Pd‐catalyzed intramolecular cyclization
ChemInform Abstract: Highly Enantioselective Fluorination of Unprotected 3‐Substituted Oxindoles: One‐Step Synthesis of BMS 204352 (MaxiPost).
Authors: Li Jun , Cai Yunfei , Chen Weiliang , Liu Xiaohua , Lin Lili , Feng Xiaoming
Published: March 2013

In the presence of Sc(OTf)3 and the chiral N‐oxides (NDO) and (LIG) a number of unprotected 3‐substituted oxindoles undergoes efficient fluorination to afford 3‐fluorooxindole derivatives with high enantioselectivty.
ChemInform Abstract: Lanthanide Amides [(Me3Si)2N] 3Ln(μ‐Cl)Li(THF)3‐Catalyzed Phospho‐Aldol‐Brook Rearrangement Reaction of Dialkyl Phosphites with Isatins.
Authors: Wang Lu , Yao Zhigang , Xu Fan , Shen Qi
Published: March 2013

The lanthanum complex is the most efficient catalyst in the process.
ChemInform Abstract: Enantioselective Cyclopropanation of Indoles: Construction of all‐Carbon Quaternary Stereocenters.
Authors: Oezueduru Guelsuem , Schubach Thea , Boysen Mike M. K.
Published: March 2013

Indole substrates bearing an N‐acetyl group are transformed to almost diastereomerically pure exo‐products (III).
ChemInform Abstract: A Greener, Facile and Scalable Synthesis of Indole Derivatives in Water: Reactions of Indole‐2,3‐diones with 1,2‐Difunctionalized Benzene.
Authors: Jain Renuka , Sharma Kanti , Kumar Deepak
Published: March 2013

Diones (I) are treated with amino substrates (II), (IV) or (VI) to form the different heterocyclic systems shown.
ChemInform Abstract: Rapid Access of 2,3,4‐Trisubstituted‐2,3,4,9‐tetrahydrothiopyrano[2,3‐b]indole Derivatives via One‐Pot Three‐Component Reaction Using Organocatalysis.
Authors: Singh Shivendra , Srivastava Anvita , Samanta Sampak
Published: March 2013

The aromatic nucleophilic thiolation/tandem thio‐Michael—Henry reaction in the presence of DABCO affords the desired scaffold without any significant diastereoselectivity, except in the case of the branched nitrostyrene (IIa).
ChemInform Abstract: Highly Efficient Solvent‐Free Synthesis of Pyranopyrazoles by a Broensted‐Acidic Ionic Liquid as a Green and Reusable Catalyst.
Authors: Ebrahimi Javad , Mohammadi Ali , Pakjoo Vahid , Bahramzade Ehsan , Habibi Amir
Published: March 2013

Biologically active substituted dihydropyrano[2,3‐c]pyrazole derivatives (IV) are obtained by a simple, green, and efficient four‐component reaction of various benzaldehydes (II), ethyl acetoacetate (I), malononitrile (III), and hydrazine hydrate using an acidic ionic liquid as catalyst.
ChemInform Abstract: Synthesis of Flavones and γ‐Benzopyranones Using Mild Sonogashira Coupling and 18‐Crown‐6 Ether Mediated 6‐endo Cyclization.
Authors: Chuang Da‐Wei , El‐Shazly Mohamed , Balaji D. Barve , Chung Yu‐Ming , Chang Fang‐Rong , Wu Yang‐Chang
Published: March 2013

A facile, mild, and selective method for the synthesis of benzopyran derivatives is reported.
ChemInform Abstract: NbCl5‐Promoted Synthesis of 4‐Aryl‐3,4‐dihydrocoumarins by Multicomponent Reaction.
Authors: dos Santos Willian Henrique , da Silva‐Filho Luiz Carlos
Published: March 2013

A novel diastereoselective synthesis of the title coumarins (IV) is achieved by NbCl5‐promoted three component reaction of 3,5‐dimethoxyphenol, dimethyl malonate, and aromatic aldehydes.
ChemInform Abstract: 1,3‐Dibromo‐5,5‐dimethylhydantoin (DBH)/Kaolin: An Efficient Reagent System for the Synthesis of 14‐Aryl‐14H‐dibenzo[a,j]xanthenes under Solvent‐Free Conditions.
Authors: Shirini Farhad , Khaligh Nader Ghaffari , Imanzadeh Gholam Hossein , Ghasem‐Abadi Parisa Ghods
Published: March 2013

The reaction of 2‐naphthol with aromatic aldehydes is catalyzed by DBH in the presence of kaolin as an additive to give dibenzoxanthene derivatives in high yields.
ChemInform Abstract: Efficient Generation of Pyridines by Ruthenium Carbene Mediated [2 + 2 + 2] Cyclotrimerization.
Authors: Medina Sandra , Dominguez Gema , Perez‐Castells Javier
Published: March 2013

A broad spectrum of fused pyridine systems is available starting from diynes and nitriles.
ChemInform Abstract: Regiocontrolled SNAr and Palladium Cross‐Coupling Reactions of 2,4,7‐Trichloropyrido[3,2‐d]pyrimidine.
Authors: Tikad Abdellatif , Akssira Mohamed , Massip Stephane , Leger Jean‐Michel , Jarry Christian , Guillaumet Gerald , Routier Sylvain
Published: March 2013

Trichloropyrido[3,2‐d]pyrimidine (I) undergoes arylation and amination reactions selectively at C2, C4 and C7 positions.
ChemInform Abstract: Synthesis of Imidazo[4,5‐b]pyridines with a Chiral Substituent at the Nitrogen Atom and Their Conversion to Piperazine Derivatives.
Authors: Bukhryakov K. V. , Kurkin A. V. , Yurovskaya M. A.
Published: March 2013

A variety of imidazopyridine derivatives bearing a chiral substituent at the N1‐imidazole nitrogen are synthesized [cf.
ChemInform Abstract: Synthesis of Novel 2‐(4‐(2‐Morpholinoethoxy)phenyl)‐N‐phenylacetamide Analogues and Their Antimicrobial Study.
Authors: Jayadevappa H. P. , Nagendrappa G. , Umesh S. , Chandrashekar S.
Published: March 2013

The title compounds (V) are obtained starting from hydroxyphenylacetic acid (I) and screened for their activity against a variety of fungal and bacterial strains in comparison to clotrimazole and streptomycin.
ChemInform Abstract: Borylation of Organo Halides and Triflates Using Tetrakis(dimethylamino)diboron.
Authors: Bello Charles S. , Schmidt‐Leithoff Joachim
Published: March 2013

In situ borylation of various halides and triflates renders possible the approach to boronic ester structures for subsequent Suzuki couplings.
ChemInform Abstract: A Facile and Expedient One‐Pot Three‐Component Reaction Leading to Multifunctionalized Stabilized Phosphorus Ylides.
Authors: Hassani Zahra , Esfandiarpour Zeinab
Published: March 2013

Phosphorus ylides (IV) are obtained by a simple and effective one‐pot three‐component reaction of NH‐acids (I), triphenylphosphine (II), and acetylenic esters (III) under mild and neutral reaction conditions.
ChemInform Abstract: Synthesis of Benzo[c]phenanthridine Alkaloids by Pd(OAc)2‐Induced Direct Aromatic Carbonylation.
Authors: Kumazawa Eri , Tokuhashi Takashi , Horibata Akiyoshi , Kurono Nobuhito , Senboku Hisanori , Tokuda Masao , Ohkuma Takashi , Orito Kazuhiko
Published: March 2013

Benzo[c]phenanthridine alkaloids like oxysanguinarine (IV) and O‐methyloxyfagaronine (Vb) are synthesized by a Pd(OAc)2‐induced direct aromatic carbonylation reaction and subsequent dehydrogenation with DDQ.
ChemInform Abstract: Development of an Alkaloid—Pyrone Annulation: Synthesis of Pleiomaltinine (XIII).
Authors: Ziegler Robert E. , Tan Shin‐Jowl , Kam Toh‐Seok , Porco John A. Jr.
Published: March 2013

Annulation of carbazoles and related heterocycles with 3‐siloxy‐4‐pyrones provides unusual alkaloid‐pyrone structures.
ChemInform Abstract: Total Synthesis and Biological Evaluation of Auripyrones A and B.
Authors: Hayakawa Ichiro , Takemura Takuma , Fukasawa Emi , Ebihara Yuta , Sato Natsuki , Nakamura Takayasu , Suenaga Kiyotake , Kigoshi Hideo
Published: March 2013

The total synthesis of auripyrone A (Ia) and B (Ib) is presented and their cytotoxicities against a panel of 39 human cancer cell lines is investigated.
ChemInform Abstract: Organic—Inorganic Hybrids Based on Ultrathin Oxide Layers. Designed Nanostructures or Molecular Recognition
Authors: Okada Tomohiko , Ide Yusuke , Ogawa Makoto
Published: March 2013

Review: 92 refs.
ChemInform Abstract: Non‐DMAP‐Type Catalysts for Acyl Transfer Reactions
Authors: Smith A. D. , Woods P. A.
Published: March 2013

Review: 133 refs.
ChemInform Abstract: Iminium Catalysis
Authors: MacMillan D. W. C. , Watson A. J. B.
Published: March 2013

Review: 220 refs.
ChemInform Abstract: Enamine Catalysis of Intramolecular Aldol Reactions
Authors: Wang X.‐W. , Wang Y. , Jia J.
Published: March 2013

Review: 111 refs.
ChemInform Abstract: Advances in the Synthesis of Morpholin‐3‐ones and Morpholin‐2‐ones
Authors: Trstenjak Uros , Ilas Janez , Kikelj Danijel
Published: March 2013

Review: 141 refs.
ChemInform Abstract: Challenges for Academic Drug Discovery
Authors: Jorgensen William L.
Published: March 2013

Review: 17 refs.
ChemInform Abstract: Substituent Constants and Substituent Effects in Organoselenium and Organotellurium Compounds
Authors: Logan Margaret E.
Published: March 2013

Review: 99 refs.
ChemInform Abstract: Hydrophobicity and Self‐Association of Bile Acids with a Special Emphasis on Oxo Derivatives of 5β‐Cholanic Acid
Authors: Posa Mihalj
Published: March 2013

Review: 121 refs.
ChemInform Abstract: The Aporhoeadane Alkaloids
Authors: Leonard Michael S.
Published: March 2013

Review: 79 refs.
ChemInform Abstract: Metadynamics
Authors: Barducci Alessandro , Bonomi Massimiliano , Parrinello Michele
Published: March 2013

Review: 123 refs.
ChemInform Abstract: Thermal Analysis in the Characterization of Pharmaceutically Relevant Supramolecular Systems
Authors: Caira Mino R.
Published: March 2013

Review: 37 refs.
Comparative Binding Energy (COMBINE) Analysis for Understanding the Binding Determinants of Type II Dehydroquinase Inhibitors
Authors: Peón Antonio , Coderch Claire , Gago Federico , González‐Bello Concepción
Published: March 2013

Herein we report comparative binding energy (COMBINE) analyses to derive quantitative structure–activity relationship (QSAR) models that help rationalize the determinants of binding affinity for inhibitors of type II dehydroquinase (DHQ2), the third enzyme of the shikimic acid pathway. Independent COMBINE models were derived for Helicobacter pylori and Mycobacterium tuberculosis DHQ2, which is an essential enzyme in both these pathogenic bacteria that has no counterpart in human cells. These studies quantify the importance of the hydrogen bonding interactions between the ligands and the water molecule involved in the DHQ2 reaction mechanism. They also highlight important differences in the ligand interactions with the interface pocket close to the active site that could provide guides for future inhibitor design.
The Pharmacokinetic Profile of the Combination of Naproxen and Tizanidine in Rat
Authors: Patiño‐Camacho Selene Isabel , Moreno María Guadalupe Lozoya , Flores‐Murrieta Francisco Javier , Déciga‐Campos Myrna
Published: February 2013

Preclinical Research

Naproxen is an anti‐inflammatory drug used in a variety of anti‐inflammatory syndromes. There is evidence showing that tizanidine enhances the anti‐inflammatory effect in rats. This study examines the pharmacokinetics of naproxen when it is combined with tizanidine. Combining these two drugs is an attractive modality for inflammation complaints. Oral coadministration of naproxen/tizanidine produced a synergistic anti‐inflammatory effect in rats. The swelling of the rat paw was measured by a plethysmometer using carrageenan as an inflammatory agent. In this study, rats received oral doses of naproxen (1, 3, and 4.2 mg/kg), and these doses were combined with a fixed dose of tizanidine (0.01 mg/kg). To evaluate the pharmacokinetic interaction between naproxen/tizanidine, blood samples were obtained at selected times in the 24 h after oral administration and were analyzed using a validated high‐performance liquid chromatography method. Systemic administration of naproxen alone or in combination with tizanidine produced a dose‐dependent anti‐inflammatory effect. In the pharmacokinetic interaction study, no statistically significant difference was observed for the naproxen concentration‐time profiles in the presence of tizanidine. The experimental findings suggest that systemic tizanidine is able to increase the naproxen‐induced anti‐inflammatory effect in rats. This effect was not due to a modification of the bioavailability of naproxen.
Conjugation‐Driven Cascade Approach to Enantiopure Pyrano‐Fused 1,5‐Benzodiazepines by Tandem Condensation/[3,3]‐Sigmatropic Rearrangement/Aza‐Michael Addition–Elimination
Authors: Husain Irfan , Saquib Mohammad , Shaw Arun K.
Published: March 2013

Sugar‐based Morita–Baylis–Hillman (MBH) acetates easily obtained from commercially available D‐glucal underwent rapid reaction with 1,2‐benzenediamines to give, in good yields, a series of enantiomerically pure tricyclic pyrano‐fused 1,5‐benzodiazepines with multiple points of diversity, which could serve as potential drug scaffolds. The driving force behind this reaction seemed to be the high stability associated with the conjugated tricyclic system. The reaction involved an unprecedented amine–carbonyl condensation/[3,3]‐sigmatropic rearrangement/cyclization cascade.
Binding Mechanisms and Driving Forces for the Selective Complexation between Pillar[5]arenes and Neutral Nitrogen Heterocyclic Compounds
Authors: Han Kang , Zhang Yanyan , Li Jian , Yu Yihua , Jia Xueshun , Li Chunju
Published: March 2013

To clarify the binding mechanisms and driving forces for the unique ability of pillar[5]arenes to recognize neutral molecules, the complexation of a series of nitrogen heterocycle substituted 1,4‐butylene guests with pillar[5]arenes was studied. Guests molecules that have similar structures exhibit remarkably different association constants, and multiple weak C–H···N interactions between the alkyl groups of the pillar[5]arenes and the outer nitrogen atoms of the heterocycles of the guests are the dominant driving forces for complexation.
Variations in Mid‐Continent Rift magma volumes consistent with microplate evolution
Authors: Merino Miguel , Keller G. Randy , Stein Seth , Stein Carol
Published: February 2013

Modeling of gravity data along the ~1.1 Ga failed Mid‐Continent Rift System shows systematic patterns in magma volume between and along the rift's two arms. The volume of magma increases towards the Lake Superior region, consistent with magma flowing away from a hotspot source there. The west arm experienced significantly more magmatism. These patterns are consistent with a model in which the two rift arms acted as boundaries of a microplate. The volume of magma along the west arm increases with distance from the Euler pole, indicating that it acted essentially as a spreading ridge, whereas the much smaller magma volumes along the east arm are consistent with its acting as a leaky transform. This view of the rift system's evolution is compatible with the rift being part of an evolving plate boundary system rather than an isolated episode of midplate volcanism.
Controls of subsurface temperature variability in a western boundary upwelling system
Authors: Belem Andre L. , Castelao Renato M. , Albuquerque Ana Luiza
Published: February 2013

The mechanisms controlling subsurface temperature variability on the outer shelf in a western boundary upwelling system are quantified using observations from a mooring deployed off Cabo Frio, Brazil. Results from a multiple linear regression analysis reveal that, in addition to low‐frequency variations associated with the seasonal evolution of temperature, the dominant mechanisms controlling temperature variability are wind stress curl–driven upwelling, cross‐isobath transport, the proximity of the Brazil Current to the shelf break, and perhaps changes in the strength of tidal mixing associated with the spring‐neap cycle. The influence of the proximity of the Brazil Current decreases strongly with depth, being restricted to the top 80 m. Regression coefficients indicate that the relative contributions from the different forcings are roughly similar and that no single process has a dominant role explaining temperature variability near the shelf break. These suggest that successful modeling efforts in the region must adequately represent each of those processes.
Hot fire, cool soil
Authors: Stoof Cathelijne R. , Moore Demie , Fernandes Paulo M. , Stoorvogel Jetse J. , Fernandes Ricardo E. S. , Ferreira António J. D. , Ritsema Coen J.
Published: March 2013

Wildfires greatly increase a landscape's vulnerability to flooding and erosion events by removing vegetation and changing soils. Fire damage to soil increases with increasing soil temperature, and, for fires where smoldering combustion is absent, the current understanding is that soil temperatures increase as fuel load and fire intensity increase. Here, however, we show that this understanding that is based on experiments under homogeneous conditions does not necessarily apply at the more relevant larger scale where soils, vegetation, and fire characteristics are heterogeneous. In a catchment‐scale fire experiment, soils were surprisingly cool where fuel load was high and fire was hot and, conversely, soils were hot where expected to be cooler. This indicates that the greatest fire damage to soil can occur where fuel load and fire intensity are low rather than high, and has important implications for management of fire‐prone areas prior to, during, and after fire events.
Neural correlates of sensory preconditioning: A preliminary fMRI investigation
Authors: Yu Tao , Lang Simone , Birbaumer Niels , Kotchoubey Boris
Published: March 2013

Sensory preconditioning (SPC; also known as behaviorally silent learning) consists of a combination of two neutral stimuli, none of which elicits an unconditional response. After one of them is later paired with an unconditional stimulus (US), the other neutral stimulus also yields a conditional response although it has never been paired with the US. In this study, an event‐related functional magnetic resonance imaging (fMRI) paradigm was used to specify brain regions involved in SPC. The results demonstrated that SPC was associated with significant changes in activity of several regions, notably, the left amygdala, the left hippocampus, the bilateral thalamus, the bilateral medial globus pallidus, the bilateral cerebellum, the bilateral premotor cortex, and the bilateral middle frontal gyrus. This is a first effort to use fMRI to examine the effects of SPC on brain activation. Our data suggest that there is a distributed network of structures involved in SPC including both cortical and subcortical regions, therefore add to our understanding of the neural mechanisms underlying the ability to associative learning. Hum Brain Mapp 35:1297–1304, 2014. © 2013 Wiley Periodicals, Inc.
Differences in cortical coding of heat evoked pain beyond the perceived intensity: An fMRI and EEG study
Authors: Haefeli Jenny , Freund Patrick , Kramer John L.K. , Blum Julia , Luechinger Roger , Curt Armin
Published: March 2013

Imaging studies have identified a wide network of brain areas activated by nociceptive stimuli and revealed differences in somatotopic representation of highly distinct stimulation sites (foot vs. hand) in the primary (S1) and secondary (S2) somatosensory cortices. Somatotopic organization between adjacent dermatomes and differences in cortical coding of similarly perceived nociceptive stimulation are less well studied. Here, cortical processing following contact heat nociceptive stimulation of cervical (C4, C6, and C8) and trunk (T10) dermatomes were recorded in 20 healthy subjects using functional magnetic resonance imaging (fMRI) and electroencephalography (EEG). Stimulation of T10 compared with the C6 and C8 revealed significant higher response intensity in the left S1 (contralateral) and the right S2 (ipsilateral) even when the perceived pain was equal between stimulation sites. Accordingly, contact heat evoked potentials following stimulation of T10 showed significantly higher N2P2 amplitudes compared to C6 and C8. Adjacent dermatomes did not reveal a distinct somatotopical representation. Within the assessed cervical and trunk dermatomes, nociceptive cortical processing to heat differs significantly in magnitude even when controlling for pain perception. This study provides evidence that controlling for pain perception is not sufficient to compare directly the magnitude of cortical processing [blood oxygen level dependence (BOLD) response and amplitude of evoked potentials] between body sites. Hum Brain Mapp 35:1379–1389, 2014. © 2013 Wiley Periodicals, Inc.
Cholestasis in a patient with gallstones and a normal gamma-glutamyl transferase
Authors: Moghadamrad Sheida , Montani Matteo , Weimann Rosemarie , De Gottardi Andrea
Published: February 2013

Cholestasis with normal gamma glutamyl transferase characterizes functional deficiencies in the gene

ABCB11

, which encodes the bile salt export pump (BSEP), a liver-specific adenosine triphosphate (ATP)-binding cassette transporter. Here we report the case of a patient presenting with features of benign recurrent intrahepatic cholestasis associated with a heterozygous mutation in the

ABCB11

gene. Immunohistochemistry showed a gradual decrease of BSEP from zone 1 to zone 3 of the liver lobule, suggesting that the mutation identified here may predispose patients to cholestasis through a delocalization process of BSEP at the lobular level.
Improving flow forecasting by error correction modelling in altered catchment conditions
Authors: Pianosi Francesca , Castelletti Andrea , Mancusi Leonardo , Garofalo Elisabetta
Published: March 2013

Despite human is an increasingly significant component of the hydrologic cycle in many river basins, most hydrologic models are still developed to accurately reproduce the natural processes and ignore the effect of human activities on the watershed response. This results in non‐stationary model forecast errors and poor predicting performance every time these models are used in non‐pristine watersheds. In the last decade, the representation of human activities in hydrological models has been extensively studied. However, mathematical models integrating the human and the natural dimension are not very common in hydrological applications and nearly unknown in the day‐to‐day practice. In this paper, we propose a new simple data‐driven flow forecast correction method that can be used to simultaneously tackle forecast errors from structural, parameter and input uncertainty, and errors that arise from neglecting human‐induced alterations in conceptual rainfall–runoff models. The correction system is composed of two layers: (i) a classification system that, based on the current flow condition, detects whether the source of error is natural or human induced and (ii) a set of error correction models that are alternatively activated, each tailored to the specific source of errors. As a case study, we consider the highly anthropized Aniene river basin in Italy, where a flow forecasting system is being established to support the operation of a hydropower dam. Results show that, even by using very basic methods, namely if‐then classification rules and linear correction models, the proposed methodology considerably improves the forecasting capability of the original hydrological model. Copyright © 2013 John Wiley & Sons, Ltd.