bluuebunny/crossref_metadata_2025 huggingface dataset:
A family‐based paradigm to identify candidate chromosomal regions for isolated congenital diaphragmatic hernia
Authors: Arrington Cammon B. , Bleyl Steven B. , Matsunami Nori , Bowles Neil E. , Leppert Tami I. , Demarest Bradley L. , Osborne Karen , Yoder Bradley A. , Byrne Janice L. , Schiffman Joshua D. , Null Donald M. , DiGeronimo Robert , Rollins Michael , Faix Roger , Comstock Jessica , Camp Nicola J. , Leppert Mark F. , Yost H. Joseph , Brunelli Luca
Published: November 2012

Congenital diaphragmatic hernia (CDH) is a developmental defect of the diaphragm that causes high newborn mortality. Isolated or non‐syndromic CDH is considered a multifactorial disease, with strong evidence implicating genetic factors. As low heritability has been reported in isolated CDH, family‐based genetic methods have yet to identify the genetic factors associated with the defect. Using the Utah Population Database, we identified distantly related patients from several extended families with a high incidence of isolated CDH. Using high‐density genotyping, seven patients were analyzed by homozygosity exclusion rare allele mapping (HERAM) and phased haplotype sharing (HapShare), two methods we developed to map shared chromosome regions. Our patient cohort shared three regions not previously associated with CDH, that is, 2q11.2–q12.1, 4p13 and 7q11.2, and two regions previously involved in CDH, that is, 8p23.1 and 15q26.2. The latter regions contain GATA4 and NR2F2, two genes implicated in diaphragm formation in mice. Interestingly, three patients shared the 8p23.1 locus and one of them also harbored the 15q26.2 segment. No coding variants were identified in GATA4 or NR2F2, but a rare shared variant was found in intron 1 of GATA4. This work shows the role of heritability in isolated CDH. Our family‐based strategy uncovers new chromosomal regions possibly associated with disease, and suggests that non‐coding variants of GATA4 and NR2F2 may contribute to the development of isolated CDH. This approach could speed up the discovery of the genes and regulatory elements causing multifactorial diseases, such as isolated CDH. © 2012 Wiley Periodicals, Inc.
Seroprevalence ofTrypanosoma cruziandLeishmania mexicanain Free‐Ranging Howler Monkeys in SoutheasternMexico
Authors: ROVIROSA‐HERNÁNDEZ MARÍA DE JESÚS , CORTES‐ORTÍZ LILIANA , GARCÍA‐ORDUÑA FRANCISCO , GUZMÁN‐GÓMEZ DANIEL , LÓPEZ‐MONTEON ARACELY , CABA MARIO , RAMOS‐LIGONIO ANGEL
Published: November 2012

Natural infection of wild mammals by protozoa parasites is quite common in nature. For Neotropical Primates different infections of parasites that are etiological agent of disease in human have been identified. In particular, infections byTrypanosoma cruziandLeishmaniasp., have been reported for some New World primate species, but there are no reports of infection with these parasites in any primate species in Mexico. A serological study was conducted on two howler monkey species (Alouatta pigraandA. palliata) from the Mexican states of Campeche and Tabasco. A total of 55 serum samples (20 samples fromA. pigra, 20 samples fromA. palliata, and 15 samples from semifree rangingA. palliataof Los Tuxtlas, Veracruz as negative controls) were analyzed for the detection of immunoglobulin G antibodies againstT. cruziandLeishmania mexicanathrough enzyme linked immunosorbent assay test, indirect immunofluorescence assay and Western blot. The overall prevalence of antibodies in howler monkeys was 17.5% forT. cruziand 30% forL. mexicana. Our results also indicate thatA. pigrais more susceptible to develop leishmaniasis thanA. palliata. Finally, the finding of positive serology in these primates should be given serious consideration for public health, given the potential role of these primate species as wild reservoirs for these diseases and the increasing contact of monkeys with human populations due to habitat loss and fragmentation. Am. J. Primatol. 75:161‐169, 2013. © 2012 Wiley Periodicals, Inc.
The 7Li (n,γ)8Li radiative capture at astrophysical energies
Authors: Dubovichenko S.B. , Dzhazairov‐Kakhramanov A.V.
Published: November 2012

The possibility to construct intercluster interaction potentials in continuous and discrete spectra is shown in one‐channel cluster model based on the classification of orbital states according to Young schemes. These potentials usually contain Pauli forbidden states, and correctly describe elastic scattering phase shifts taking into account resonance behavior and main characteristics of the bound states of nuclei in the considering cluster channel. The versions of intercluster interaction potentials describing the resonance nature of some phase shifts of the n7Li elastic scattering at low energies and the P2 ground state of 8Li in the n7Li cluster channel have been constructed for the demonstration of this approach. The possibility of describing the total cross sections of 7Li (n,γ)8Li within the energies from 5 meV (5 · 10‐3 eV) to 1 MeV, including resonance at 0.25 MeV, has been demonstrated for the potentials obtained in the potential cluster model with forbidden states.
Microfluidic tools for developmental studies of small model organisms –nematodes, fruit flies, and zebrafish
Authors: Hwang Hyundoo , Lu Hang
Published: November 2012

Studying the genetics of development with small model organisms such as the zebrafish (Danio Rerio), the fruit fly (Drosophila melanogaster), and the soil‐dwelling nematode (Caenorhabditis elegans), provide unique opportunities for understanding related processes and diseases in humans. These model organisms also have potential for use in drug discovery and toxicity‐screening applications. There have been sweeping developments in microfabrication and microfluidic technologies for manipulating and imaging small objects, including small model organisms, which allow high‐throughput quantitative biological studies. Here, we review recent progress in microfluidic tools able to manipulate small organisms and project future directions and applications of these techniques and technologies.
Bioreactors in tissue engineering—principles, applications and commercial constraints
Authors: Hansmann Jan , Groeber Florian , Kahlig Alexander , Kleinhans Claudia , Walles Heike
Published: November 2012

Bioreactor technology is vital for tissue engineering. Usually, bioreactors are used to provide a tissue‐specific physiological in vitro environment during tissue maturation. In addition to this most obvious application, bioreactors have the potential to improve the efficiency of the overall tissue‐engineering concept. To date, a variety of bioreactor systems for tissue‐specific applications have been developed. Of these, some systems are already commercially available. With bioreactor technology, various functional tissues of different types were generated and cultured in vitro. Nevertheless, these efforts and achievements alone have not yet led to many clinically successful tissue‐engineered implants. We review possible applications for bioreactor systems within a tissue‐engineering process and present basic principles and requirements for bioreactor development. Moreover, the use of bioreactor systems for the expansion of clinically relevant cell types is addressed. In contrast to cell expansion, for the generation of functional three‐dimensional tissue equivalents, additional physical cues must be provided. Therefore, bioreactors for musculoskeletal tissue engineering are discussed. Finally, bioreactor technology is reviewed in the context of commercial constraints.
Efficient Preparation of Giant Vesicles as Biomimetic Compartment Systems with High Entrapment Yields for Biomacromolecules
Authors: Kuroiwa Takashi , Fujita Ryoji , Kobayashi Isao , Uemura Kunihiko , Nakajima Mitsutoshi , Sato Seigo , Walde Peter , Ichikawa Sosaku
Published: November 2012

The ‘lipid‐coated ice‐droplet hydration method’ was applied for the preparation of milliliter volumes of a suspension of giant phospholipid vesicles containing in the inner aqueous vesicle pool in high yield either calcein, α‐chymotrypsin, fluorescently labeled bovine serum albumin or dextran (FITC‐BSA and FITC‐dextran; FITC=fluorescein isothiocyanate). The vesicles had an average diameter of ca. 7–11 μm and contained 20–50% of the desired molecules to be entrapped, the entrapment yield being dependent on the chemical structure of the entrapped molecules and on the details of the vesicle‐formation procedure. The ‘lipid‐coated ice droplet hydration method’ is a multistep process, based on i) the initial formation of a monodisperse water‐in‐oil emulsion by microchannel emulsification, followed by ii) emulsion droplet freezing, and iii) surfactant and oil removal, and replacement with bilayer‐forming lipids and an aqueous solution. If one aims at applying the method for the entrapment of enzymes, retention of catalytic activity is important to consider. With α‐chymotrypsin as first model enzyme to be used with the method, it was shown that high retention of enzymatic activity is possible, and that the entrapped enzyme molecules were able to catalyze the hydrolysis of a membrane‐permeable substrate which was added to the vesicles after their formation. Furthermore, one of the critical steps of the method that leads to significant release of the molecules from the water droplets was investigated and optimized by using calcein as fluorescent probe.
DNA Triplex‐Mediated Assembly of Polyaromatic Chromophores
Authors: Biner Sarah M. , Häner Robert
Published: November 2012

The synthesis and characterization of intramolecular triple‐helical DNA structures containing polyaromatic pyrene and perylene (perylenetetracarboxylic acid diimide, PDI) building blocks are presented. Two 1,8‐dialkynylpyrene units are located in the WatsonCrick stem of the construct, while a PDI or a natural thymidine is present in the Hoogsteen strand. The triple helical structures were investigated by UV/VIS absorbance, fluorescence spectroscopy, and circular dichroism (CD) measurements. The folding of the intramolecular triple helix can be monitored by changes in the vibronic transition ratios, as well as by a change in the alkynylpyrene fluorescence (monomer vs. excimer). It is shown that thymine in the third strand has a pronounced influence on the interaction and, thus, on the fluorescence properties of two pyrene building blocks.
An Open Question on the Origin of Life: The First Forms of Metabolism
Authors: Luisi Pier Luigi
Published: November 2012

The general framework of the origin of life on Earth is outlined, emphasizing that the so‐called prebiotic ‘RNA world’ is as yet on shaky scientific ground, and that one should any way ask the question of the structure of the first protocellular compartments capable of the initial forms of metabolism. This question is the basis of the research project on the minimal cells, containing the minimal and sufficient complexity capable of leading to life. Such research is briefly summarized, highlighting experiments with liposome‐based semisynthetic cells which are capable of ribosomal protein synthesis with a very minimal number of enzymes. The most recent finding in this area of research is the unexpected observation that the formation and closure of liposomes in situ acts as an attractor for the solute molecules in solution, bringing about a very high local concentration in some of the liposomes. It is argued that this spontaneous overcrowding, which permits reactions which are not possible in the original dilute solution, might be the origin of cellular metabolism for the origin of life on Earth.
Synthesis, Biological Evaluation, and Live Cell Imaging of Novel Fluorescent Duocarmycin Analogs
Authors: Tietze Lutz F. , Behrendt Frank , Pestel Galina F. , Schuberth Ingrid , Mitkovski Mišo
Published: November 2012

For a better understanding of the mode of action of duocarmycin and its analogs, the novel fluorescent duocarmycin derivatives 13–15 and 17b–19b were synthesized, and their bioactivity as well as their cellular uptake investigated using confocal laser scanning microscopy (CLSM) in live‐cell imaging experiments.
Synthesis, Structure, and Biological Applications of α‐Fluorinated β‐Amino Acids and Derivatives
Authors: March Taryn L. , Johnston Martin R. , Duggan Peter J. , Gardiner James
Published: November 2012

This review gives a broad overview of the state of play with respect to the synthesis, conformational properties, and biological activity of α‐fluorinated β‐amino acids and derivatives. General methods are described for the preparation of monosubstituted α‐fluoro‐β‐amino acids (Scheme 1). Nucleophilic methods for the introduction of fluorine predominantly involve the reaction of DAST with alcohols derived from α‐amino acids, whereas electrophilic sources of fluorine such as NFSI have been used in conjunction with ArndtEistert homologation, conjugate addition or organocatalyzed Mannich reactions. α,α‐Difluoro‐β‐amino acids have also been prepared using DAST; however, this area of synthesis is largely dominated by the use of difluorinated Reformatsky reagents to introduce the difluoro ester functionality (Scheme 9). α‐Fluoro‐β‐amino acids and derivatives analyzed by X‐ray crystal and NMR solution techniques are found to adopt preferred conformations which are thought to result from stereoelectronic effects associated with F located close to amines, amides, and esters (Figs. 2–6). α‐Fluoro amide and β‐fluoro ethylamide/amine effects can influence the secondary structure of α‐fluoro‐β‐amino acid‐containing derivatives including peptides and peptidomimetics (Figs. 7–9). α‐Fluoro‐β‐amino acids are also components of a diverse range of bioactive anticancer (e.g., 5‐fluorouracil), antifungal, and antiinsomnia agents as well as protease inhibitors where such fluorinated analogs have shown increased potency and spectrum of activity.
Identification of the Biosynthetic Gene Cluster and Regulatory Cascade for the Synergistic Antibacterial Antibiotics Griseoviridin and Viridogrisein in Streptomyces griseoviridis
Authors: Xie Yunchang , Wang Bo , Liu Jing , Zhou Junchao , Ma Junying , Huang Hongbo , Ju Jianhua
Published: November 2012

Griseoviridin (GV) and viridogrisein (VG, also referred to as etamycin), produced by Streptomyces griseoviridis, are two chemically unrelated compounds belonging to the streptogramin family. Both of these natural products demonstrate broad‐spectrum antibacterial activity and constitute excellent candidates for future drug development. To elucidate the biosynthetic machinery associated with production of these two unique antibiotics, the gene cluster responsible for both GV and VG production was identified within the Streptomyces griseoviridis genome and characterized, and its function in GV and VG biosynthesis was confirmed by inactivation of 30 genes and complementation experiments. This sgv gene cluster is localized to a 105 kb DNA region that consists of 36 open reading frames (ORFs), including four nonribosomal peptide synthetases (NRPSs) for VG biosynthesis and a set of hybrid polyketide synthases (PKS)‐NRPSs with a discrete acyltransferase (AT), SgvQ, to assemble the GV backbone. The enzyme encoding genes for VG versus GV biosynthesis are separated into distinct “halves” of the cluster. A series of four genes: sgvA, sgvB, sgvC, and sgvK, were found downstream of the PKS‐NRPS; these likely code for construction of a γ‐butyrolactone (GBL)‐like molecule. GBLs and the corresponding GBL receptor systems are the highest ranked regulators that are able to coordinate the two streptomyces antibiotic regulatory protein (SARP) family positive regulators SgvR2 and SgvR3; both are key biosynthetic activators. Models of GV, VG, and GBL biosynthesis were proposed by using functional gene assignments, determined on the basis of bioinformatics analysis and further supported by in vivo gene inactivation experiments. Overall, this work provides new insights into the biosyntheses of the GV and VG streptogramins that are potentially applicable to a host of combinatorial biosynthetic scenarios.
ChemInform Abstract: New Hypodiphosphates of the Alkali Metals: Synthesis, Crystal Structure and Vibrational Spectra of the Hypodiphosphates(IV) M2 [(H2P2O6) (H4P2O6)] (M: Rb and Cs).
Authors: Wu Peng , Wiegand Thomas , Eckert Hellmut , Gjikaj Mimoza
Published: November 2012

The new title compounds are prepared by reactions of H4P2O6 and M2CO3 (M: Rb, Cs) in aqueous solution at 35 °C.
ChemInform Abstract: Syntheses and Structures of Two Open‐Framework Zinc Phosphites with Extra‐Large 24‐Ring Channels.
Authors: Wang Pei , Wang Guo‐Ming , Li Jin‐Hua , Wang Zong‐Hua , Wang Ying‐Xia , Lin Jian‐Hua
Published: November 2012

The new three‐dimensional open‐framework compounds (II) are solvothermally synthesized and characterized by single crystal XRD.
ChemInform Abstract: N‐Heterocyclic Carbene‐Mediated Organocatalytic Transfer of Tin onto Aldehydes: An Easy Access to syn‐Diols and Mechanistic Studies.
Authors: Blanc Romain , Nava Paola , Rajzman Michel , Commeiras Laurent , Parrain Jean‐Luc
Published: November 2012

An update of a preliminary communication is presented concerning the 1,4‐addition of Bu3SnTms onto α,β‐unsaturated aldehydes to give γ‐silyloxyallylstannanes such as (XIV) with excellent diastereo‐ and chemoselectivities.
ChemInform Abstract: Traceless Directing Group for Stereospecific Nickel‐Catalyzed Alkyl—Alkyl Cross‐Coupling Reactions.
Authors: Greene Margaret A. , Yonova Ivelina M. , Williams Florence J. , Jarvo Elizabeth R.
Published: November 2012

Enantioenriched benzylic 2‐methoxyethyl ethers react with methylmagnesium iodide to give enantioenriched 1,1‐diarylethanes.
ChemInform Abstract: A Highly Negatively Charged γ‐Keggin Germanodecatungstate Efficient for Knoevenagel Condensation.
Authors: Sugahara Kosei , Kimura Toshihiro , Kamata Keigo , Yamaguchi Kazuya , Mizuno Noritaka
Published: November 2012

The title compound is synthesized and applied as homogeneous catalyst for the Knoevenagel reaction of active methylene compounds (II) with carbonyl compounds, e.g. (I).
ChemInform Abstract: Julia—Kocienski Reaction‐Based 1,3‐Diene Synthesis: Aldehyde‐Dependent (E,E/E,Z)‐Selectivity.
Authors: Billard Francois , Robiette Raphael , Pospisil Jiri
Published: November 2012

Sequential treatment of benzylic and allylic sulfones with KN(Tms)2 and α‐unsubstituted aldehydes allows an efficient access to styrenes and 1,3‐dienes with high (Z)‐selectivity.
ChemInform Abstract: Highly π Electron‐Rich Macro‐Aromatics: Bis(p‐aminophenyl)‐carbo‐benzenes and Their DBA Acyclic References.
Authors: Rives Arnaud , Baglai Iaroslav , Malytskyi Volodymyr , Maraval Valerie , Saffon‐Merceron Nathalie , Voitenko Zoia , Chauvin Remi
Published: November 2012

The spectroscopic (in CHCl3) and electrochemical properties (in CH2Cl2) of the series of stable quadrupolar title compounds (I) are investigated and compared to the acyclic reference series (II).
ChemInform Abstract: Ru(II)‐Pheox Catalyzed N—H Insertion Reaction of Diazoacetamides: Synthesis of N‐Substituted α‐Aminoamides.
Authors: Chanthamath Soda , Thongjareun Songkharm , Shibatomi Kazutaka , Iwasa Seiji
Published: November 2012

The highly functionalized synthons are readily available under optimized conditions A), which have to be slightly modified in some cases.
ChemInform Abstract: Synthesis of Alkenyl Sulfides Through the Iron‐Catalyzed Cross‐Coupling Reaction of Vinyl Halides with Thiols.
Authors: Lin Yun‐Yung , Wang Yu‐Jen , Lin Che‐Hung , Cheng Jun‐Hao , Lee Chin‐Fa
Published: November 2012

The combination FeCl3/Xantphos efficiently promotes the coupling with vinyl iodides and bromides as well as the vinyl chloride (VI).
ChemInform Abstract: NBS‐Promoted Sulfenylation of Sulfinates with Disulfides Leading to Unsymmetrical or Symmetrical Thiosulfonates.
Authors: Liang Gaigai , Liu Miaochang , Chen Jiuxi , Ding Jinchang , Gao Wenxia , Wu Huayue
Published: November 2012

The presented protocol avoids the formation of R‐S waste and exhibits broad functional‐group tolerance.
ChemInform Abstract: Catalytic Asymmetric Synthesis of 2‐Alkyleneoxetanes Through [2 + 2] Annulation of Allenoates with Trifluoromethyl Ketones.
Authors: Zhao Qian‐Yi , Huang Long , Wei Yin , Shi Min
Published: November 2012

(E)‐Alkenyloxetanes are obtained with good to high enantioselectivities by use of β‐isocupreidine ICP as catalyst.
ChemInform Abstract: Mild Construction of 3‐Methyl Tetramic Acids Enabling a Formal Synthesis of Palau′imide.
Authors: Bai Wen‐Ju , Jackson Stephen K. , Pettus Thomas R. R.
Published: November 2012

Reaction of amino acid derivatives with SmI2/ HMPA provides a general approach to optically active title compounds.
ChemInform Abstract: Cu(II)‐Promoted Transformations of α‐Thienylcarbinols into Spirothienooxindoles: Regioselective Halogenation of Dienyl Sulfethers Containing Electron‐Rich Aryl Rings.
Authors: Yin Biaolin , Huang Li , Zhang Xiaoyu , Ji Fanghua , Jiang Huanfeng
Published: November 2012

Treatment of thienylcarbinols of type (I) with CuSO4 allows access to new spirothienooxindoles like (II).
ChemInform Abstract: Enantioselective Synthesis of 3,3′‐Dihydropyrryl‐spirooxindoles via an Organocatalytic Three‐Component Reaction.
Authors: Wei Wen‐Tao , Chen Chun‐Xia , Lu Rui‐Jiong , Wang Jin‐Jia , Zhang Xue‐Jing , Yan Ming
Published: November 2012

The title compounds can be readily converted to valuable 3,3′‐pyrrolidinyl‐spirooxindoles, viz.
ChemInform Abstract: Facile Synthesis of 4‐Arylidene‐5‐imidazolinones as Synthetic Analogues of Fluorescent Protein Chromophore.
Authors: Lee Cheng‐Yu , Chen Yun‐Chung , Lin Hao‐Chun , Jhong Yuandong , Chang Chih‐Wei , Tsai Ching‐Hua , Kao Chai‐Lin , Chien Tun‐Cheng
Published: November 2012

A new dehydrative cyclization method for the synthesis of the title compounds is developed for a broad scope of numerous commercially available starting compounds.
ChemInform Abstract: Palladium‐Catalyzed Direct Arylation of Benzoxazoles with Unactivated Simple Arenes.
Authors: Wu Ge , Zhou Jun , Zhang Min , Hu Peng , Su Weiping
Published: November 2012

Using CuBr2 as an additive, the Pd‐catalyzed intermolecular C—H C—H cross‐coupling between benzoxazoles (I) and unactivated arenes (II), (IV), (VI) and (IX) is achieved.
ChemInform Abstract: ZnO—CuO Core—Branch Nanocatalysts for Ultrasound‐Assisted Azide—Alkyne Cycloaddition Reactions.
Authors: Park Ji Chan , Kim A Young , Kim Jae Young , Park Sungkyun , Park Kang Hyun , Song Hyunjoon
Published: November 2012

ZnO—CuO core—branch hybrid nanoparticles are synthesized and applied as highly active heterogeneous catalyst in the title reaction.
ChemInform Abstract: Domino Reactions of 1‐(2‐Alkoxyaryl)‐3‐akylprop‐2‐yn‐1‐ones with Sodium Sulfide Leading to Thiochromen‐4‐one Derivatives.
Authors: Yang Xiaobo , Li Shangfu , Liu Hongxia , Jiang Yuyang , Fu Hua
Published: November 2012

The present new method tolerates a wide range of functional groups such as halogens, ethers, and ketones.
ChemInform Abstract: Synthesis of Some New Pyridine‐2,6‐bis‐heterocycles.
Authors: Ali Korany A. , Elsayed Mohamed A. , Farag Ahmad M.
Published: November 2012

Disubstituted pyridines with functionalized azole and azine moieties are synthesized by reaction of the multifunctional, hitherto unknown pyridine derivative (III) with 1,2‐ or 1,3‐binucleophiles including amino‐substituted heterocycles.
ChemInform Abstract: Palladium‐Catalyzed C—H Oxidation of Isoquinoline N‐Oxides: Selective Alkylation with Dialkyl Sulfoxides and Halogenation with Dihalo Sulfoxides.
Authors: Yao Bo , Song Ren‐Jie , Liu Yan , Xie Ye‐Xiang , Li Jin‐Heng , Wang Meng‐Ke , Tang Ri‐Yuan , Zhang Xing‐Guo , Deng Chen‐Liang
Published: November 2012

The regioselectivity of the present method is based on the N—O group as the directing moiety.
ChemInform Abstract: A Novel One‐Pot Synthesis of 2‐Arylpyrazoloquinolinone Derivatives.
Authors: Chang En‐Chiuan , Wen Ya‐Lan , Chang Chun‐Hsi , Shen Yun‐Hwei , Wen Shaw‐Bing , Yeh Mou‐Yung , Wong Fung Fuh
Published: November 2012

The title efficient synthetic method involves 1,3‐dipolar cycloaddition, Suzuki coupling reaction, and intramolecular cyclization.
ChemInform Abstract: Synthesis and Antimicrobial Activity of New 1,2,3‐Triazolopyrimidine Derivatives and Their Glycoside and Acyclic Nucleoside Analogues.
Authors: El‐Sayed Wael A. , Ali Omar M. , Faheem Merfat S. , Zied Ibrahim F. , Abdel‐Rahman Adel A.‐H.
Published: November 2012

Most of the screened compounds show moderate to high antimicrobial activities.
ChemInform Abstract: One‐Pot Build‐Up Procedure for the Synthesis of Variously Substituted Purine Derivatives.
Authors: Dejmek Milan , Kovackova Sona , Zbornikova Eva , Hrebabecky Hubert , Sala Michal , Dracinsky Martin , Nencka Radim
Published: November 2012

A convenient and simplified route to the title purine derivatives (III) can be carried out in a single step by using commercially available pyrimidine precursors.
ChemInform Abstract: Synthesis and Crystal Structure of Octahydro‐5H,12H‐4,11‐methano‐1H,7H‐bis[1,2,5]oxadiazolo [3,4‐d:3′,4′‐j][1,7,3,9]dioxadiazacyclododecine.
Authors: Willer Rodney L. , Storey Robson F. , Jarrett William L. , Parrish Damon
Published: November 2012

Reaction of amino(hydroxymethyl)furazan (II) with formaldehyde unexpectedly provides polycyclic compound (IV) instead of the expected bis(oxadiazolooxazine) (V).
ChemInform Abstract: Withaferin A‐Related Steroids from Withania aristata Exhibit Potent Antiproliferative Activity by Inducing Apoptosis in Human Tumor Cells.
Authors: Llanos Gabriel G. , Araujo Liliana M. , Jimenez Ignacio A. , Moujir Laila M. , Bazzocchi Isabel L.
Published: November 2012

Six new withanolides (I) ‐ (V) along with eleven known ones are isolated from the leaves of the Canarian shrub Withania aristata.
ChemInform Abstract: Synthesis of Tryptamine Derivatives via a Direct, One‐Pot Reductive Alkylation of Indoles.
Authors: Righi Marika , Topi Francesca , Bartolucci Silvia , Bedini Annalida , Piersanti Giovanni , Spadoni Gilberto
Published: November 2012

The method can be used to synthesize melatonin (VIII) and luzindole (IIIe), an MT2 melatonin receptor antagonist.
ChemInform Abstract: Docking, Synthesis and Pharmacological Activity of Novel Urea‐Derivatives Designed as p38 MAPK Inhibitors.
Authors: Moreira Lima Lidia , et al. et al.
Published: November 2012

The title inhibitors are designed by bioisosteric replacement of thiophene by a quinoline nucleus, maintaining the urea pharmacophoric group and the ester subunit present in the prototype GK‐00687.
ChemInform Abstract: Magnetoelectric Responses in Multiferroic Composite Thin Films
Authors: Hu Jia‐Mian , Ma Jing , Wang Jing , Li Zheng , Lin Yuan‐Hua , Nan C. W.
Published: November 2012

Review: 110 refs.
ChemInform Abstract: Effects of Impurities and Vortices on the Low‐energy Spin Excitations in High‐TC Materials
Authors: Andersen Brian M. , Schmid Markus , Graser Siegfried , Hirschfeld P. J. , Kampf Arno P.
Published: November 2012

Review: 56 refs.
ChemInform Abstract: Structure and Magnetic Properties of L10‐Ordered Fe‐Pt Alloys and Nanoparticles
Authors: Lyubina J. , Rellinghaus B. , Gutfleisch O. , Albrecht M.
Published: November 2012

Review: 399 refs.
ChemInform Abstract: Kagome Antiferromagnets: Materials vs. Spin Liquid Behaviors
Authors: Mendels Philippe , Wills Andrew S.
Published: November 2012

Review: 137 refs.
ChemInform Abstract: Magnetic and Electric Properties of (Fe, Co)/(Si, Ge) Multilayers
Authors: Lucinski Tadeusz , Chomiuk Piotr
Published: November 2012

Review: 35 refs.
ChemInform Abstract: Diamagnetic Domains and Nonlinear Electromagnetic Waves in Normal Metals (Review)
Authors: Egorov V. S. , Peschansky V. G. , Stepanenko D. I.
Published: November 2012

Review: 63 refs.
ChemInform Abstract: From Self‐Assembly to Noncovalent Synthesis of Programmable Porphyrins′ Arrays in Aqueous Solution
Authors: D'Urso Alessandro , Fragala Maria Elena , Purrello Roberto
Published: November 2012

Review: 83 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed Cyclization of Alkynals via Oxametallacycle Intermediates
Authors: Tanaka Ken , Tajima Yuki
Published: November 2012

Review: Ni, Rh, Ru, Ti; 82 refs.
ChemInform Abstract: Arylidene Pyruvic Acids (APAs) in the Synthesis of Organic Compounds
Authors: Shiri Morteza , Heravi Majid M. , Soleymanifard Bita
Published: November 2012

Review: 422 refs.
ChemInform Abstract: Applications of Enzymatic and Non‐enzymatic Methods to Access Enantiomerically Pure Compounds Using Kinetic Resolution and Racemization
Authors: Ahmed Marwa , Kelly Tamsin , Ghanem Ashraf
Published: November 2012

Review: 126 refs.
ChemInform Abstract: Aromatic Amide Foldamers: Structures, Properties, and Functions
Authors: Zhang Dan‐Wei , Zhao Xin , Hou Jun‐Li , Li Zhan‐Ting
Published: November 2012

Review: 357 refs.
ChemInform Abstract: Molybdenum‐Catalyzed and Tungsten‐Catalyzed Enantioselective Allylic Substitutions
Authors: Moberg Christina
Published: November 2012

Review: 57 refs.
ChemInform Abstract: Carbaporphyrins, Porphyrin Isomers and the Legacy of Emanuel Vogel
Authors: Lash Timothy D.
Published: November 2012

Review: 115 refs.
ChemInform Abstract: Dynamic Nuclear Polarization in Liquids
Authors: Bennati M. , Tkach I. , Tuerke M.‐T.
Published: November 2012

Review: 117 refs.
ChemInform Abstract: Physical Properties of Magnetic Gels
Authors: Brand Helmut R. , Martinoty Philippe , Pleiner Harald
Published: November 2012

Review: 88 refs.
ChemInform Abstract: Reversible Covalent Inhibition of a Protein Target
Authors: Lee Chang‐Uk , Grossmann Tom N.
Published: November 2012

Review: 10 refs.
ChemInform Abstract: Permanent Porous Materials from Discrete Organic Molecules — Towards Ultra‐High Surface Areas
Authors: Mastalerz Michael
Published: November 2012

Review: ca. 100 refs.
ChemInform Abstract: Supramolecular‐Tilt‐Chirality on Twofold Helical Assemblies
Authors: Hisaki Ichiro , Sasaki Toshiyuki , Tohnai Norimitsu , Miyata Mikiji
Published: November 2012

Review: ca. 50 refs.
ChemInform Abstract: Green Analytical Chemistry in the Determination of Organic Pollutants in the Environment
Authors: Perez Sandra , Farre Marinella , Goncalves Carlos , Acena Jaume , Alpendurada M. F. , Barcelo Damia
Published: November 2012

Review: 291 refs.
ChemInform Abstract: Terahertz Sources
Authors: Shumyatsky Pavel , Alfano Robert R.
Published: November 2012

Review: 55 refs.
Timing and related artifacts in multidimensional NMR
Authors: Marion Dominique
Published: November 2012

The information content of multidimensional NMR spectra is limited by the presence of several kinds of artifacts that originate from incorrect timing of evolution periods. The objective of this review is to provide tools for successful implementation of published pulse sequences, in which timing and pulse compensations are often implicit. We will analyze the constraints set by the use of Fourier transformation, the spin precession during rectangular or shaped pulses, the Bloch‐Siegert effects due to pulse on other spins and the delay introduced by the filters for the acquisition dimension. A frequency‐dependent phase correction or an incorrect scaling of the first data point leads to baseline offsets or curvature due to the properties of the Fourier transform. Because any r.f. pulse has a finite length, chemical shift is always active during excitation, flip‐back, inversion, and refocusing pulses. Rectangular or selective shaped pulses can be split into three periods: an ideal rotation surrounded by two chemical shift evolution periods, which should be substracted from the adjacent delays to avoid linear phase correction. Bloch‐Siegert effects originate from irradiation at frequencies near those observed in the spectrum and can lead to phase or frequency shifts. They can be minimized by simultaneous irradiation on both sides of the observed spins. In terms of timing, the very end of the pulse sequence the acquisition behaves differently since the data are filtered by either analog or digital means. This additional delay is filter and spectrometer specific and should be tuned to minimize the required phase correction. Combined together, all these adjustments lead to perfectly phased spectra with flat baseline and no peak shifts or distortion. © 2012 Wiley Periodicals, Inc. Concepts Magn Reson Part A 40A: 326–340, 2012.
Alkali‐Metal Azides Interacting with Metal–Organic Frameworks
Authors: Armata Nerina , Cortese Remedios , Duca Dario , Triolo Roberto
Published: November 2012

Interactions between alkali‐metal azides and metal–organic framework (MOF) derivatives, namely, the first and third members of the isoreticular MOF (IRMOF) family, IRMOF‐1 and IRMOF‐3, are studied within the density functional theory (DFT) paradigm. The investigations take into account different models of the selected IRMOFs. The mutual influence between the alkali‐metal azides and the π rings or Zn centers of the involved MOF derivatives are studied by considering the interactions both of the alkali‐metal cations with model aromatic centers and of the alkali‐metal azides with distinct sites of differently sized models of IRMOF‐1 and IRMOF‐3. Several exchange and correlation functionals are employed to calculate the corresponding interaction energies. Remarkably, it is found that, with increasing alkali‐metal atom size, the latter decrease for cations interacting with the π‐ring systems and increase for the azides interacting with the MOF fragments. The opposite behavior is explained by stabilization effects on the azide moieties and determined by the Zn atoms, which constitute the inorganic vertices of the IRMOF species. Larger cations can, in fact, coordinate more efficiently to both the aromatic center and the azide anion, and thus stabilizing bridging arrangements of the azide between one alkali‐metal and two Zn atoms in an η2 coordination mode are more favored.
Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe‐ZSM‐5 Zeolite
Authors: Maihom Thana , Khongpracha Pipat , Sirijaraensre Jakkapan , Limtrakul Jumras
Published: November 2012

Ethanol, through the utilization of bioethanol as a chemical resource, has received considerable industrial attention as it provides an alternative route to produce more valuable hydrocarbons. Using a density functional theory approach incorporating the M06‐L functional, which includes dispersion interactions, a large 34T nanocluster model of Fe‐ZSM‐5 zeolite in which T is a Si or Al atom is employed to examine both the stepwise and concerted mechanisms of the transformation of ethanol into ethene. For the stepwise mechanism, ethanol dehydration commences from the first hydrogen abstraction of the ethanol OH group to form the ethoxide‐hydroxide intermediate with a low activation energy of 17.7 kcal mol−1. Consequently, the ethoxide‐hydroxide intermediate is decomposed into ethene through hydrogen abstraction from the ethoxide methyl carbon to either the OH group of hydroxide or the oxygen of the ethoxide group with high activation energies of 64.8 and 63.5 kcal mol−1, respectively. For the concerted mechanism, ethanol transformation into the ethene product occurs in a single step without intermediate formation, with an activation energy of 32.9 kcal mol−1.
Combining Spectroscopy and Theory to Evaluate Structural Models of Metalloenzymes: A Case Study on the Soluble [NiFe] Hydrogenase from Ralstonia eutropha
Authors: Horch Marius , Rippers Yvonne , Mroginski Maria A. , Hildebrandt Peter , Zebger Ingo
Published: November 2012

Hydrogenases catalyse the reversible cleavage of molecular hydrogen into protons and electrons. While most of these enzymes are inhibited under aerobic conditions, some hydrogenases are catalytically active even at ambient oxygen levels. In particular, the soluble [NiFe] hydrogenase from Ralstonia eutropha H16 couples reversible hydrogen cycling to the redox conversion of NAD(H). Its insensitivity towards oxygen has been formerly ascribed to the putative presence of additional cyanide ligands at the active site, which has been, however, discussed controversially. Based on quantum chemical calculations of model compounds, we demonstrate that spectroscopic consequences of the proposed non‐standard set of inorganic ligands are in contradiction to the underlying experimental findings. In this way, the previous model for structure and function of this soluble hydrogenase is disproved on a fundamental level, thereby highlighting the efficiency of computational methods for the evaluation of experimentally derived mechanistic proposals.
Grafting of ω‐Alkyl Ferrocene Radicals to Carbon Surfaces By Means Of Electrocatalysis with Subnanomolar Transition‐Metal (Pd, Pt, or Au) Layers
Authors: Jouikov Viatcheslav , Simonet Jacques
Published: November 2012

Electroreduction of ω‐iodoalkyl ferrocenes (Fc‐Cn‐I) was achieved in non‐aqueous media at carbon electrodes covered with extremely small amounts of transition metals (Γ≤10−9 mol cm−2) galvanostatically deposited onto the surface. Upon such a coverage with metals such as palladium, gold, platinum, and rhodium, the cleavage of the CI bond becomes a one‐electron process leading, within the potential range from −1.0 to −1.5 V vs. Ag/AgCl, to the formation of a free alkyl radical. The addition of these radicals onto the carbon surface may occur to a large extent at the graphitized zones (radical attack on C sites) and dense ferrocene layers, attached to the solid support by alkyl linkers, can thus be formed. Other metals such as copper, nickel, and cobalt were successfully used in this process. The residual metal deposits could be eliminated by simple sonication of the resulting carbon interfaces.
Adenocarcinoma cells in effusion cytology as a diagnostic pitfall with potential impact on clinical management: A case report with brief review of immunomarkers
Authors: Chowdhuri Sinchita Roy , Fetsch Patricia , Squires Jennifer , Kohn Elise , Filie Armando C.
Published: November 2012

Distinguishing metastatic carcinoma cells from reactive mesothelial cells in effusion samples is often challenging based on morphology alone. Metastatic carcinoma cells in fluid samples may mimic reactive mesothelial cells due to overlapping cytological features. We report a case of a pleural effusion in a 51‐year‐old female patient with a medical history significant for bilateral ovarian tumors and peritoneal implants diagnosed as serous tumor of borderline malignant potential. The effusion was composed almost entirely of adenocarcinoma cells that morphologically mimicked reactive mesothelial cells. The diagnosis of metastatic adenocarcinoma was made after a wide immunostaining panel of antibodies. Recognizing metastatic adenocarcinoma cells in effusion samples can be challenging and an accurate diagnosis may have significant impact on clinical management as demonstrated by this case. Diagn. Cytopathol. 2012;42:253–258. © 2012 Wiley Periodicals, Inc.
Electrochemical Properties of the Poly(3,4‐ethylenedioxythiophene) Doped with Taurine Ligands
Authors: Kupis Justyna , Migdalski Jan , Lewenstam Andrzej
Published: November 2012

Poly(3,4‐ethylenedioxythiophene) films doped with Taurine ligands (PEDOT‐Tau films) were deposited from aqueous solution and made sensitive towards Mg2+or Ca2+ions by conditioning in a mixture of 0.5 M Taurine with saturated magnesium or calcium hydroxide. Potentiometric responses towards selected cations as well as potential transient responses were described. The elemental analysis, morphology and topography were studied to elucidate potentiometric behavior of PEDOT‐Tau films. The elemental analysis was made for freshly deposited and sensitized for magnesium and calcium films by using X‐ray Photoelectron Spectroscopy (XPS), Energy Dispersive Analysis of X‐ray (EDAX) and Laser Ablation Inductively Coupled Plasma Mass Spectroscopy (LA‐ICP‐MS). The morphology and topography of such films were inspected by Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM).
Experimental verification of an equivalent circuit for the characterization of electrothermal micropumps: High pumping velocities induced by the external inductance at driving voltages below 5 V
Authors: Stubbe Marco , Gyurova Anna , Gimsa Jan
Published: November 2012

Electrothermal micropumps (ETμPs) use local heating to create conductivity and permittivity gradients in the pump medium. In the presence of such gradients, an external AC electric field influences smeared spatial charges in the bulk of the medium. When there is also a symmetry break, the field‐charge interaction results in an effective volumetric force resulting in medium pumping. The advantages of the ETμP principle are the absence of moving parts, the opportunity to passivate all the pump structures, homogeneous pump‐channel cross‐sections, as well as force plateaus in broad frequency ranges. The ETμPs consisted of a DC‐heating element and AC field electrodes arranged in a 1000 μm × 250 μm × 60 μm (length × width × height) channel. They were processed as platinum structures on glass carriers. An equivalent‐circuit diagram allowed us to model the frequency‐dependent pumping velocities of passivated and nonpassivated ETμPs, which were measured at medium conductivities up to 1.0 S/m in the 300 kHz to 52 MHz frequency range. The temperature distributions within the pumps were controlled by thermochromic beads. Under resonance conditions, an additional inductance induced a tenfold pump‐velocity increase to more than 50 μm/s at driving voltages of 5 Vrms. A further miniaturization of the pumps is viewed as quite feasible.
Measurement of brain activation during an upright stepping reaction task using functional near‐infrared spectroscopy
Authors: Huppert Theodore , Schmidt Benjamin , Beluk Nancy , Furman Joseph , Sparto Patrick
Published: November 2012

Functional near‐infrared spectroscopy (fNIRS) is a non‐invasive brain imaging technology that uses light to measure changes in cortical hemoglobin concentrations. FNIRS measurements are recorded through fiber optic cables, which allow the participant to wear the fNIRS sensors while standing upright. Thus, fNIRS technology is well suited to study cortical brain activity during upright balance, stepping, and gait tasks. In this study, fNIRS was used to measure changes in brain activation from the frontal, motor, and premotor brain regions during an upright step task that required subjects to step laterally in response to visual cues that required executive function control. We hypothesized that cognitive processing during complex stepping cues would elicit brain activation of the frontal cortex in areas involved in cognition. Our results show increased prefrontal activation associated with the processing of the stepping cues. Moreover, these results demonstrate the potential to use fNIRS to investigate cognitive processing during cognitively demanding balance and gait studies. Hum Brain Mapp 34:2817–2828, 2013. © 2012 Wiley Periodicals, Inc.
Toward Universal Design in Public Transportation Systems: An Analysis of Low‐Floor Bus Passenger Behavior with Video Observations
Authors: Hwangbo Hwan , Kim Jiyeon , Kim Sunwoong , Ji Yong Gu
Published: November 2012

This study aims to investigate the relationship between ergonomic comfort and the provision of accessibility features for mobility‐impaired persons in the use of public transportation systems in Korea. To deal with mobility issues in a public transportation environment, we chose the low‐floor bus as our research subject because it is the representative of a barrier‐free design solution. We collected data via video observation, which can overcome the limitations of traditional accessibility‐focused studies and laboratory studies by providing data on real usage patterns. We developed a framework to analyze the gathered data which includes user, space, tools, activities, and context. As a result, we observed existing difficulties of mobility‐impaired persons in terms of moving and supporting their bodies on the bus, despite the application of accessibility features. Furthermore, the design only for accessibility of mobility‐disabled persons can cause unexpected predicaments for the passengers who do not have physical handicaps. Drawing on these findings, we concluded that the concept of universal design in public transportation environments must be introduced in Korea. This study suggests video observation as a useful methodology for collecting data in dynamic environments. Additionally, our study is expected to contribute to how the concept of universal design can be implemented, and stimulate issues for ergonomic research based on our behavior pattern analysis.
Perfluorinated Bis(dihydrooxazole) Complexes Immobilized on Fluorous Reversed‐Phase Silica Gel as Recyclable Catalysts for Enantioselective DielsAlder Reactions
Authors: Hensle Eva M. , Bannwarth Willi
Published: November 2012

The three different perfluoroalkyl‐tagged bis(dihydrooxazole)copper complexes 19–21 were synthesized and immobilized noncovalently on fluorous reversed‐phase silica gel (FRPSG) by fluorousfluorous interactions (Schemes 2 and 3). These supported catalysts were successfully applied to asymmetric DielsAlder reactions in H2O and in CH2Cl2 (Scheme 4). Besides high conversion of the dienophile, we observed enantiomer excesses of up to 88% in H2O and 97% in CH2Cl2, and we were able to recover and re‐use these catalytic systems several times. Despite the relatively high catalyst loading, the leaching of copper was remarkably low ranging from 2.4 to 5.9 ppm.
The critical role of mast cell‐derived hypoxia‐inducible factor‐1α in human and mice melanoma growth
Authors: Jeong Hyun‐Ja , Oh Hyun‐A , Nam Sun‐Young , Han Na‐Ra , Kim Young‐Sick , Kim Jeong‐Hwa , Lee Seok‐Jong , Kim Min‐Ho , Moon Phil‐Dong , Kim Hyung‐Min , Oh Hyun‐A
Published: November 2012

Mast cells play an important role in tumorigenesis. Histamine released from mast cells stimulates new vessel formation by acting through the histamine1 (H1) receptor. Despite the evidence of the role of mast cells in tumor growth and angiogenesis, the potential mechanism remains to be elucidated. Therefore, we investigated the role of mast cell‐derived HIF‐1α in melanoma growth. Here, we identify that the most positive cells for HIF‐1α staining are seen in mast cells of human and animal melanoma tissue. The number of the stromal cell types (fibroblasts, macrophages and endothelial cells) was also increased in melanoma tissues. In activated bone marrow‐derived mast cells (BMMCs), expressions of HIF‐1α and VEGF were increased. Histamine also induced the expressions of HIF‐1α and VEGF in BMMCs. H1 receptor antagonists significantly improved overall survival rates and substantially suppressed tumor growth as well as the infiltration of mast cells and levels of VEGF through the inhibition of HIF‐1α expression in B16F10 melanoma‐bearing mice. Furthermore, the injection of HIF‐1α depleted BMMCs markedly inhibited the growth of tumors and migration of mast cells and increased the survival rate of the mice. These findings emphasize that the growth of melanoma can actually be exacerbated by mast cell‐derived HIF‐1α. In aggregate, our results reveal a novel role for mast cell‐derived HIF‐1α in the melanoma microenvironment and have important implications for the design of therapeutic strategies.