bluuebunny/crossref_metadata_2025 huggingface dataset:
Monoamniotic monochorionic twins discordant for noncompaction cardiomyopathy
Authors: Ng Dianna , Bouhlal Yosr , Ursell Philip C. , Shieh Joseph T.C.
Published: May 2013

Occasionally “identical twins” are phenotypically different, raising the question of zygosity and the issue of genetic versus environmental influences during development. We recently noted monochorionic‐monoamniotic twins, one of which had an isolated cardiac abnormality, noncompaction cardiomyopathy, a condition characterized by cardiac ventricular hypertrabeculation. We examined the prenatal course and subsequent pathologic correlation since ventricular morphogenesis may depend on early muscular contraction and blood flow. The monochorionic‐monoamniotic female twin pair was initially identified since one fetus presented with increased nuchal translucency. Complete heart block was later identified in the fetus with nuchal translucency who did not survive after delivery. In contrast, the unaffected twin had normal cardiac studies both prenatally and postnatally. Pathologic analysis of the affected twin demonstrated noncompaction of the left ventricle with dysplasia of the aortic and pulmonary valves. Dissection of the cardiac conduction system disclosed atrioventricular bundle fibrosis. Maternal lupus studies, amniocentesis with karyotype, and studies for 22q11.2 were normal. To test for zygosity, we performed multiple STR marker analysis and found that all markers were shared even using nonblood tissues from the affected twin. These studies demonstrate that monozygotic twins that are monochorionic monoamniotic can be discordant for cardiac noncompaction. The results suggest further investigation into the potential roles of pathologic fibrosis, contractility, and blood flow in cardiac ventricle development. © 2013 Wiley Periodicals, Inc.
De novo 19p13.2 microdeletion encompassing the insulin receptor and resistin genes in a patient with obesity and learning disability
Authors: Wangensteen Teresia , Retterstøl Lars , Rødningen Olaug K. , Hjelmesæth Jøran , Aukrust Pål , Halvorsen Bente
Published: May 2013

Genetic studies have provided novel insights of appetite regulation and pathophysiology of obesity. The adipose tissue is an active endocrine organ secreting several hormones contributing to insulin resistance and the development of the comorbidities of obesity, such as type 2 diabetes and cardiovascular disease. Herein, we report on a patient with severe obesity and mild learning disability with a 750 kb de novo deletion of chromosome 19. The deletion encompasses several genes, including resistin and the first part of the insulin receptor, genes that are relevant for obesity. This novel deletion may therefore represent a region for obesity research. Plasma analyses and gene expression demonstrated that the deletion resulted in haploinsufficiency for resistin and insulin receptor in the patient compared to controls. We then studied the biochemical and adipocytokine profile in these subjects. We observed no differences in glucose and lipid parameters between the patient and the controls. Thus, haploinsufficiency of insulin receptor and resistin does not appear to influence glucose and lipid metabolism. However, the patient had considerably higher values of adiponectin and TNFα than controls. In conclusion, we identified a 19p13.2 microdeletion encompassing the insulin receptor and resistin genes resulting in haploinsufficiency in an obese, but otherwise healthy patient. No firm conclusions could be drawn regarding the potential effect of the microdeletion on adipokine profile. © 2013 Wiley Periodicals, Inc.
Holocene footprints in Namibia: The influence of substrate on footprint variability
Authors: Morse Sarita A. , Bennett Matthew R. , Liutkus‐Pierce Cynthia , Thackeray Francis , McClymont Juliet , Savage Russell , Crompton Robin H.
Published: May 2013

We report a Holocene human and animal footprint site from the Namib Sand Sea, south of Walvis Bay, Namibia. Using these data, we explore intratrail footprint variability associated with small variations in substrate properties using a “whole foot” analytical technique developed for the studies in human ichnology. We demonstrate high levels of intratrail variability as a result of variations in grain size, depositional moisture content, and the degree of sediment disturbance, all of which determine the bearing capacity of the substrate. The two principal trails were examined, which had consistent stride and step lengths, and as such variations in print typology were primarily controlled by substrate rather than locomotor mechanics. Footprint typology varies with bearing capacity such that firm substrates show limited impressions associated with areas of peak plantar pressure, whereas softer substrates are associated with deep prints with narrow heels and reduced medial longitudinal arches. Substrates of medium bearing capacity give displacement rims and proximal movement of sediment, which obscures the true form of the medial longitudinal arch. A simple conceptual model is offered which summarizes these conclusions and is presented as a basis for further investigation into the control of substrate on footprint typology. The method, model, and results presented here are essential in the interpretation of any sites of greater paleoanthropological significance, such as recently reported from Ileret (1.5 Ma, Kenya; Bennett et al.: Science 323 (2009) 1197–1201). Am J Phys Anthropol 151:265–279, 2013. © 2013 Wiley Periodicals, Inc.
Synthesis and characterization of microencapsulated sodium phosphate dodecahydrate
Authors: Wang Ting Yu , Huang Jin
Published: May 2013

Microcapsules loaded with sodium phosphate dodecahydrate (DSP) were prepared according to the solvent evaporation method. The microencapsulated phase‐change materials (MEPCMs) possessed methyl methacrylate crosslinked with ethyl acrylate generated poly(methyl methacrylate) (PMMA) as the coating polymer. The influences of the polymerization time, polymerization temperature, and organic solvent types on the performances of the MEPCMs were studied in this report. The results indicate that the polymerization time and temperature had barely any effect on the size but a significant effect on the surface morphology of the microphase‐change materials. The solubility of the shell material varied in different organic solvents, and this to different phase‐transition enthalpies. In addition, DSP could be encapsulated well by PMMA, and the as‐prepared MEPCMs were equipped with a good morphology and a small particle size. When toluene and acetone were used as organic solvents, the MEPCMs had an interesting energy storage capacity of 142.9 J/g at 51.51°C, and this made them suitable for different applications. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 1516–1523, 2013
Polymer Brushes: Promises and Challenges
Authors: Yameen Basit , Farrukh Aleeza
Published: May 2013

Surface‐tethered polymers, or “polymer brushes”, are emerging as key elements in the context of regulating the surface characteristics of materials. Their properties, such as biocompatibility, antifouling, colloidal stability, wettability, and corrosion resistance, play a vital role in ascertaining their potential applications. The availability of straightforward procedures for polymer brush synthesis, which are applicable to a wide range of monomers and are adaptable to a range of substrates, is a clear advantage over other surface‐modification strategies. Herein, the important advancements that are pertinent to the fabrication of polymer brushes are outlined. Furthermore, an exhaustive up‐to‐date overview of the developments in different application domains, including smart drug‐delivery systems, biosensing, antifouling, stimuli‐responsive surfaces, and ion‐conducting membranes, that benefit from the developments in the field of polymer brushes, is presented.
Effects of natural phytochemicals in Angelica sinensis (Danggui) on Nrf2‐mediated gene expression of phase II drug metabolizing enzymes and anti‐inflammation
Authors: Saw Constance Lay Lay , Wu Qing , Su Zheng‐Yuan , Wang Hu , Yang Yinhua , Xu Xiaoting , Huang Ying , Khor Tin Oo , Kong Ah‐Ng Tony
Published: May 2013

The root of Angelica sinensis (Oliv.) Diels (abbreviated as AS) (Danggui) has a long history in Asian herbal medicine. Recently, it was demonstrated that AS possesses anti‐cancer and anti‐oxidant activities. Because the transcription factor Nrf2 mediates the expression of many cellular anti‐oxidative stress genes, including genes that are involved in phase II drug metabolism and anti‐oxidative stress, this study sought to investigate whether pure compounds from AS or an AS extract could activate antioxidant response element (ARE)‐mediated gene expression and induce anti‐inflammatory activities. Z‐Ligustilide (Ligu), 3‐butylidenephthalide (Buty) and CO2 supercritical fluid‐extracted lipophilic AS extract (SFE) were tested in HepG2‐C8 cells stabilized with ARE luciferase reporter gene. Ligu and Buty caused significant toxicity only at 100 μm. All three samples induced ARE‐luciferase activity; however, SFE at 8.5 µg/ml induced ARE‐luciferase activity 2–3 fold more potently than did either of the pure compounds. SFE also significantly increased the endogenous mRNA of Nrf2 and the Nrf2 target anti‐oxidative gene NAD(P)H dehydrogenase, quinone 1 (NQO1). The protein expression of NQO1 was also significantly induced by SFE. In RAW 264.7 cells, SFE suppressed lipopolysaccharide (LPS)‐induced IL‐1β and TNF‐α expression about 2 fold stronger than sulforaphane, whereas both pure compounds and SFE suppressed inflammatory nitric oxide (NO) production. In summary, this study demonstrates that AS has anti‐inflammatory effects and activates the Nrf2 pathway, which protects against oxidative stress. Copyright © 2013 John Wiley & Sons, Ltd.
Experimentelle Untersuchungen zum Querkrafttragverhalten von auskragenden Fahrbahnplatten unter Radlasten
Authors: Reißen Karin , Hegger Josef
Published: May 2013

Für Brückenbauwerke im Bestand mit Fahrbahnplatten ohne Querkraftbewehrung lässt sich nach derzeit gültigen technischen Regeln oft keine ausreichende Querkrafttragfähigkeit nachweisen. Der aktuelle Ansatz zur Berechnung der Querkrafttragfähigkeit ohne Querkraftbewehrung wurde allerdings hauptsächlich aus Querkraftversuchen an einfeldrigen, gelenkig gelagerten Balken abgeleitet. Da bisher nur wenige Versuche zur Querkrafttragfähigkeit von Kragplatten unter konzentrierten Lasten vorliegen, wurde im Rahmen eines von der Bundesanstalt für Straßenwesen (BASt) geförderten Forschungsvorhabens deren Querkrafttragverhalten genauer analysiert. Neben der mitwirkenden Breite für Querkraft standen das Momenten‐Querkraft‐Verhältnis und der Einfluss einer geneigten Biegedruckzone im Vordergrund der experimentellen Untersuchungen.

Experimental investigations on the shear‐bearing behaviour of bridge deck cantilever slabs under wheel loads

The calculated shear capacity according to current design rules of a large number of existing concrete bridge deck slabs without shear reinforcement is not sufficient. However, the present design rules for the shear capacity of members without shear reinforcement were principally developed based on shear tests on simply supported single span beams. Since until now, only few tests on the shear capacity of cantilever slabs under concentrated loads have been conducted, the shear‐bearing behaviour of cantilever slabs has been analysed within a research programme funded by the Federal Highway Research Institute of Germany (BASt). Besides the effective width for shear, the moment‐shear relation and the influence of an inclined compression zone were experimentally investigated.
Mögliche Auswirkungen beim Einsatz fließfähiger Betone in massigen Bodenplatten
Authors: Neunzig Christian , Uebachs Stephan , Hinzen Marcus , Brameshuber Wolfgang
Published: May 2013

Massige Bodenplatten erfordern aufgrund der anspruchsvollen Baustellenlogistik und der besonderen Anforderungen bei der Ausführung der Betonage eine sehr sorgfältige Arbeitsweise bei der Fertigstellung. Im Rahmen dieses Beitrags liegt der Schwerpunkt auf der Ausführung. Es wurde untersucht, wie die Schubkraftübertragung durch ungewollte Betonierfugen herabgesetzt und das Verbundverhalten infolge unzureichender Nachverdichtung beeinflusst werden können.

Concrete technological features in executing massive floor plates

Due to the demanding site logistics and special requirements during the casting the manufacturing of massive floor plates must be executed very carefully. Therefore this article is focussed on the execution. In this context it was investigated how the shear force transmission is reduced by construction joints and the bonding behavior is influenced by an insufficient final compaction of the top layer.
SAPs as novel regulators of abiotic stress response in plants
Authors: Giri Jitender , Dansana Prasant K. , Kothari Kamakshi S. , Sharma Gunjan , Vij Shubha , Tyagi Akhilesh K.
Published: May 2013

Stress associated proteins (SAPs), novel A20/AN1 zinc‐finger domain‐containing proteins, are fast emerging as potential candidates for biotechnological approaches in order to improve abiotic stress tolerance in plants – the ultimate aim of which is crop‐yield protection. Until relatively recently, such proteins had only been identified in humans, where they had been shown to be key regulators of innate immunity. Their phylogenetic relationship and recruitment of diverse protein domains reflect an architectural and mechanistic diversity. Emerging evidence suggests that SAPs may act as ubiquitin ligase, redox sensor, and regulator of gene expression during stress. Here, we evaluate the new knowledge on SAPs with a view to understand their mechanism of action. Furthermore, we set an agenda for investigating hitherto unexplored roles of these proteins.
Testing and estimation of proportion (or risk) ratio under the matched‐pair design with multiple binary endpoints
Authors: Lui Kung‐Jong , Chang Kuang‐Chao
Published: May 2013

The proportion ratio (PR) of responses between an experimental treatment and a control treatment is one of the most commonly used indices to measure the relative treatment effect in a randomized clinical trial. We develop asymptotic and permutation‐based procedures for testing equality of treatment effects as well as derive confidence intervals of PRs for multivariate binary matched‐pair data under a mixed‐effects exponential risk model. To evaluate and compare the performance of these test procedures and interval estimators, we employ Monte Carlo simulation. When the number of matched pairs is large, we find that all test procedures presented here can perform well with respect to Type I error. When the number of matched pairs is small, the permutation‐based test procedures developed in this paper is of use. Furthermore, using test procedures (or interval estimators) based on a weighted linear average estimator of treatment effects can improve power (or gain precision) when the treatment effects on all response variables of interest are known to fall in the same direction. Finally, we apply the data taken from a crossover clinical trial that monitored several adverse events of an antidepressive drug to illustrate the practical use of test procedures and interval estimators considered here.
A Prototypical Small‐Molecule Modulator Uncouples Mitochondria in Response to Endogenous Hydrogen Peroxide Production
Authors: McQuaker Stephen J. , Quinlan Casey L. , Caldwell Stuart T. , Brand Martin D. , Hartley Richard C.
Published: May 2013

A high membrane potential across the mitochondrial inner membrane leads to the production of the reactive oxygen species (ROS) implicated in aging and age‐related diseases. A prototypical drug for the correction of this type of mitochondrial dysfunction is presented. MitoDNP‐SUM accumulates in mitochondria in response to the membrane potential due to its mitochondria‐targeting alkyltriphenylphosphonium (TPP) cation and is uncaged by endogenous hydrogen peroxide to release the mitochondrial uncoupler, 2,4‐dinitrophenol (DNP). DNP is known to reduce the high membrane potential responsible for the production of ROS. The approach potentially represents a general method for the delivery of drugs to the mitochondrial matrix through mitochondria targeting and H2O2‐induced uncaging.
ChemInform Abstract: Quaternary Arsenides AM1.5Tt0.5As2 (A: Na, K, Rb; M: Zn, Cd; Tt: Si, Ge, Sn): Size Effects in CaAl2Si2‐ and ThCr2Si2‐Type Structures.
Authors: Khatun Mansura , Stoyko Stanislav S. , Mar Arthur
Published: May 2013

Ten quaternary arsenides of title are prepared by reaction of stoichiometric mixtures of the elements (alumina crucible, 600—650 °C, 10 d).
ChemInform Abstract: Luminescence and Energy Transfer Properties of Ca2Ba3(PO4)3Cl and Ca2Ba3(PO4)3Cl:A (A: Eu2+/Ce3+/Dy3+/Tb3+) under UV and Low‐Voltage Electron Beam Excitation.
Authors: Shang Mengmeng , Geng Dongling , Yang Dongmei , Kang Xiaojiao , Zhang Yang , Lin Jun
Published: May 2013

Pure Ca2Ba3(PO4)3Cl (CBP) and rare earth (Eu2+/Ce3+/Dy3+/Tb3+)‐doped CBP phosphors are prepared via a Pechini‐type sol‐gel process involving stoichiometric amounts of Ln(NO3)3, CaCl2, BaCl2·2H2O, citric acid, PEG, and (NH4)H2PO4 (gel drying, 1.
ChemInform Abstract: Short‐Range Magnetic Ordering in the Geometrically Frustrated Layered Compound YBaCo4O7 with an Extended Kagome Structure.
Authors: Bera A. K. , Yusuf S. M. , Banerjee S.
Published: May 2013

The title compound is synthesized by solid state reaction of stoichiometric amounts of Y2O3, BaCO3, and Co3O4 (Pt crucible, 1.
ChemInform Abstract: Direct Hydrofluorothermal Synthesis of Sodium Transition Metal Fluorosulfates as Possible Na‐Ion Battery Cathode Materials.
Authors: Wang Qianlong , Madsen Alex , Owen John R. , Weller Mark T.
Published: May 2013

The isomorphous compounds (IIIa—c) crystallize in the orthorhombic space group Pbcn with Z = 4 (single crystal XRD).
ChemInform Abstract: Preparation and Crystal Structure of a New Lithium Vanadium Fluoride Li2VF6 with Trirutile‐Type Structure.
Authors: Nakhal Suliman , Weber Dominik , Lerch Martin
Published: May 2013

The new title compound is obtained together with Li3VF6 from a 2:1 mixture of LiF and VF4 (monel capsule, 500 °C, 12 h).
ChemInform Abstract: Mercury Bismuth Chalcohalides, Hg3Q2Bi2Cl8 (Q: S, Se, Te): Syntheses, Crystal Structures, Band Structures, and Optical Properties.
Authors: Wibowo Arief C. , Malliakas Christos D. , Chung Duck Young , Im Jino , Freeman Arthur J. , Kanatzidis Mercouri G.
Published: May 2013

In the frame of a search for potential candidates of X‐ray and γ‐ray semiconductor detectors, the quaternary chalcohalides Hg3Q2Bi2Cl8 (Q: S (I), Te (II), Se (III)) are quantitatively obtained by solid state reaction of stoichiometric mixtures of HgQ, HgCl2, and BiCl3 (evacuated silica tube, (I) 300 °C, 1.5 d, (II) 200 °C, 2 d, (III) 600 °C, 2 d) avoiding their tendency for phase separation.
ChemInform Abstract: Asymmetric Henry Reactions Catalyzed by Metal Complexes of Chiral Oxazoline Based Ligands.
Authors: Aydin A. Ebru , Yuksekdanaci Seda
Published: May 2013

A series of novel chiral ligands derived from pyrrolecarbonitrile, salicyclic acid, and norephedrine are synthesized and applied as catalysts in the enantioselective Henry reaction.
ChemInform Abstract: Three‐Carbon Homologation of Diorganozincs with Lithiated Acetylenic Epoxides.
Authors: Denichoux Aurelien , Debien Laurent , Cyklinsky Mathieu , Kaci Malika , Chemla Fabrice , Ferreira Franck , Perez‐Luna Alejandro
Published: May 2013

Title reaction gives zincates that undergo a 1,2‐metallate rearrangement along with the transfer of an alkyl or a silyl group affording allenylzinc intermediates.
ChemInform Abstract: Photochemically Induced Radical Alkynylation of C(sp3)—H Bonds.
Authors: Hoshikawa Tamaki , Kamijo Shin , Inoue Masayuki
Published: May 2013

1‐Tosyl‐2‐(trimethylsilyl)acetylene (I) is an efficient reagent for the direct photochemical alkenylation of different substrates, e.g. alkanes, alcohols, amines, and cyclic amides.
ChemInform Abstract: Supported Ionic‐Liquid Layer on Polystyrene—TEMPO Resin: A Highly Efficient Catalyst for Selective Oxidation of Activated Alcohols with Molecular Oxygen.
Authors: Liu Lin , Liu Dong , Xia Zhiwei , Gao Jiulin , Zhang Tianlin , Ma Juanjuan , Zhang Dongen , Tong Zhiwei
Published: May 2013

A new catalyst consisting of CuCl2 and an ionic‐liquid layer supported on polystyrene—TEMPO resin is shown to be an efficient catalyst for the oxidation of primary alcohols to the corresponding aldehydes.
ChemInform Abstract: Carboxy‐Directed Asymmetric Hydrogenation of 1,1‐Diarylethenes and 1,1‐Dialkylethenes.
Authors: Song Song , Zhu Shou‐Fei , Yu Yan‐Bo , Zhou Qi‐Lin
Published: May 2013

The carboxy group in the substrates is crucial for this reaction as it acts as an anchor for the Ir‐catalysts.
ChemInform Abstract: HAP‐Pd(0): A Highly Efficient Recyclable Heterogeneous Catalyst for the Selective Reduction of Carbon—Carbon Double Bond in α,β‐Unsaturated Ketones.
Authors: Chambyal Omkar Singh , Paul Satya , Shamim Tahira , Gupta Monika , Gupta Rajive , Loupy Andre
Published: May 2013

The employed catalyst, palladium hydroxyapatite, can be recovered by simple filtration and reused for five consecutive runs without significant loss of activity.
ChemInform Abstract: Mono and Difluorination of Centers α to Sulfonates and Phosphonates Using AcOF.
Authors: Vints Inna , Gatenyo Julia , Rozen Shlomo
Published: May 2013

A general method for the selective introduction of one or two fluorine atoms in α‐position to a sulfonate or phosphonate moiety in very short time is described.
ChemInform Abstract: A General and Efficient Method for Synthesis of Enaminones and Enamino Esters Catalyzed by NbCl5 under Solvent‐Free Conditions.
Authors: Liu Yu‐Heng , Wang Ping , Cheng Gui‐Tian
Published: May 2013

NbCl5 catalyzes the synthesis of enaminones and enamino esters from the corresponding 1,3‐dicarbonyl compounds and primary amines under solvent‐free conditions.
ChemInform Abstract: Catalytic Hydrogenation of Cyclic Carbonates: A Practical Approach from CO2 and Epoxides to Methanol and Diols.
Authors: Han Zhaobin , Rong Liangce , Wu Jiang , Zhang Lei , Wang Zheng , Ding Kuiling
Published: May 2013

The title highly efficient synthesis proceeds under relatively mild conditions and provides a potential process for the use of recovered waste polycarbonate as a resource.
ChemInform Abstract: Bifunctional Tertiary Phosphine Catalyzed Cascade Michael—Henry Reaction of a β‐Nitroolefin and a 2‐(1‐Substituted 3‐oxo‐3‐phenylpropyl)malononitrile.
Authors: Wang Ying , Yuan Wei , Zheng Hu‐Fei , Shi De‐Qing
Published: May 2013

BOL is used as an efficient catalyst in the diastereoselective synthesis of highly functionalized cyclohexanols.
ChemInform Abstract: Enantioselective Addition of Boronates to o‐Quinone Methides Catalyzed by Chiral Biphenols.
Authors: Luan Yi , Schaus Scott E.
Published: May 2013

This method yields 2‐styryl phenols.
ChemInform Abstract: Poly(4‐vinylpyridinium bromochromate): An Efficient Reagent for Bromination of Aromatic Compounds.
Authors: Albadi Jalal , Tajik Hassan , Keshavarz Mosadegh , Abedini Masoumeh
Published: May 2013

Poly(4‐vinylpyridinium bromochromate) is shown to be an efficient reagent for the bromination of aromatic compounds.
ChemInform Abstract: Copper‐Catalyzed Electrophilic Amination of Arylsilanes with Hydroxylamines.
Authors: Miki Yuya , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: May 2013

The title reaction leads to various arylamines under mild conditions tolerating a wide range of functional groups.
ChemInform Abstract: Pd‐PEPPSI‐IPentCl: An Effective Catalyst for the Preparation of Triarylamines.
Authors: Hoi Ka Hou , Coggan Jennifer A. , Organ Michael G.
Published: May 2013

The reaction requires adjustment of a base depending on the nature of aryl chlorides.
ChemInform Abstract: Diastereoselective Three‐Component Mannich Reaction Catalyzed by Silica‐Supported Ferric Hydrogensulfate.
Authors: Eshghi Hossein , Rahimizadeh Mohammad , Hosseini Mohsen , Javadian‐Saraf Aida
Published: May 2013

Optimum reaction conditions are examined for the diastereoselective three‐component Mannich reaction catalyzed by silica‐supported ferric hydrogensulfate.
ChemInform Abstract: Stereoselective Synthesis of 1,3‐anti Diols by an Ipc‐Mediated Domino Aldol‐Coupling/Reduction Sequence.
Authors: Dieckmann Michael , Menche Dirk
Published: May 2013

Diols and intermediate boronates are obtained as inseparable mixtures of anti/anti diastereomers whereas excellent anti/syn diastereoselectivity is observed.
ChemInform Abstract: Pd‐Catalyzed C—H Oxygenation with TFA/TFAA: Expedient Access to Oxygen‐Containing Heterocycles and Late‐Stage Drug Modification.
Authors: Shan Gang , Yang Xinglin , Ma Linlin , Rao Yu
Published: May 2013

Excellent reactivity, ortho‐selectivity, good functional group tolerance, and high yields are demonstrated for the title reaction.
ChemInform Abstract: Concise Synthesis of α‐(Hydroxymethyl) Alkyl and Aryl Vinyl Ketones.
Authors: Ben Kraiem Jihene , Amri Hassen
Published: May 2013

The synthesis of different substituted vinyl ketones from 2,4‐diketoesters is described.
ChemInform Abstract: Facile Microwave‐Assisted Michael Addition of Diphenacyl Sulfides to Chalcones under Solvent‐Free Conditions: Generation of Symmetrical and Unsymmetrical 1,5‐Diketones.
Authors: Paul Nidhin , Shanmugam Muniyappapillai Jeganathan , Muthusubramanian Shanmugam
Published: May 2013

Optimum reaction conditions are examined for the addition of diphenacyl sulfides (I) to substituted chalcones (II) to give 1,5‐diketones (III).
ChemInform Abstract: N‐Heterocyclic Carbene Catalyzed Synthesis of Oxime Esters
Authors: Enders Dieter , Grossmann Andre , Van Craen David
Published: May 2013

by a redox esterification of unsaturated aldehydes with oximes
ChemInform Abstract: Cyanative Self‐Condensation of Aromatic Aldehydes Promoted by VO(OiPr)3—Lewis Base as a Cooperative Catalyst.
Authors: Kodama Koichi , Kawamata Hiroaki , Takahashi Naoya , Hirose Takuji
Published: May 2013

It is crucial that the reaction is carried out in oxygen atmosphere to afford the products selectively.
ChemInform Abstract: Intramolecular Electrophilic Cyclization of Functional Derivatives of Unsaturated Compounds. Part 3. Reaction of N,4‐Diarylbut‐3‐enamides with Arenesulfenyl Chlorides. Synthesis of 5‐Aryl‐4‐arylsulfanyl‐2,3,4,5‐tetrahydro‐1H‐1‐benzazepin‐2‐ones.
Authors: Vas'kevich A. I. , Tsyzoryk N. M. , Staninets V. I. , Rusanov E. B. , Vovk M. V.
Published: May 2013

The reaction of N,4‐diarylbut‐3‐enamides (I), (IV), and (VI) with arenesulfenyl chlorides (II) is studied and the different underlaying mechanisms are discussed.
ChemInform Abstract: Indium‐Promoted Allylation of Alkynes with Allylic Alcohols: Highly Regioselective Synthesis of Halogen‐Substituted 1,4‐Dienes.
Authors: Yue Hui‐Lan , Ma Lei , Ji Jian‐Xin
Published: May 2013

The mild and simple reaction provides an attractive approach to a large number of halogen‐substituted 1,4‐diene derivatives in moderate to excellent yields.
ChemInform Abstract: Discovery of an in situ Carbocationic System Using Trityl Chloride as a Homogeneous Organocatalyst for the Solvent‐Free Condensation of β‐Naphthol with Aldehydes and Amides/Thioamides/Alkyl Carbamates in Neutral Media.
Authors: Khazaei Ardeshir , et al. et al.
Published: May 2013

A general, simple, and efficient method for the preparation of 1‐amidoalkyl‐2‐naphthols, 1‐thioamidoalkyl‐2‐naphthols, and 1‐carbamatoalkyl‐2‐naphthols is presented.
ChemInform Abstract: Synthesis of C60(O)3: An Open‐Cage Fullerene with a Ketolactone Moiety on the Orifice.
Authors: Xin Nana , Yang Xiaobing , Zhou Zishuo , Zhang Jianxin , Zhang Showxin , Gan Liangbing
Published: May 2013

In addition to the four isomers currently known for the trioxygenated fullerene derivative C60(O)3, a new open‐cage isomer is prepared through a three‐step procedure mediated by a peroxide.
ChemInform Abstract: KOH‐Promoted Synthesis of Oxirane Functional Derivatives from Diethyl Bromomalonate and Aldehydes under Phase‐Transfer Catalysis Conditions.
Authors: Kryshtal Galina V. , Zhdankina Galina M. , Zlotin Sergei G.
Published: May 2013

KOH‐promoted Darzens condensation of bromomalonate (II) with aromatic or isoprenoid aldehydes (I) under PTC conditions smoothly affords oxiranedicarboxylates (III) (8 examples).
ChemInform Abstract: Regio‐ and Diastereoselective Synthesis of trans‐2,3‐Dihydrofuran Derivatives in an Aqueous Medium.
Authors: Khan Abu T. , Lal Mohan , Basha R. Sidick
Published: May 2013

Three‐component reaction of cyclic β‐diketo compounds, aldehydes, and pyridinium ylides, generated in situ, affords heterocyclic systems which include a 2,3‐dihydrofuran unit.
ChemInform Abstract: Synthesis of C1‐Substituted 7‐Oxanorbornadienes (III)
Authors: Raheem Mohammed‐Abdul , Tam William
Published: May 2013

via Diels—Alder reaction of 2‐substituted furans (I) with acetylenedicarboxylate (II)
ChemInform Abstract: One Pot Solvent Free Synthesis and in vitro Antitubercular Screening of 3‐Aracylphthalides Against Mycobacterium tuberculosis.
Authors: Limaye Rohan A. , Kumbhar Virendra B. , Natu Arun D. , Paradkar Madhusudan V. , Honmore Varsha S. , Chauhan Rubia R. , Gample Suwarna P. , Sarkar Dhiman
Published: May 2013

Various 3‐aracylphthalide derivatives (III) (10 examples) are obtained in the reaction of 2‐carboxybenzaldehyde (I) with aromatic methyl ketones (II) in the presence of methanesulfonic acid.
ChemInform Abstract: Noteworthy Mechanistic Precedence in the Exclusive Formation of One Regioisomer in the Beckmann Rearrangement of Ketoximes of 4‐Piperidones Annulated to Pyrazolo‐Indole Nucleus by Organocatalyst Derived from the TCT and DMF.
Authors: Tyagi Ruchi , Kaur Navjeet , Singh Bhawani , Kishore D.
Published: May 2013

A new organocatalyst formed in situ from 2,4,6‐trichloro[1,3,5]triazine and DMF is applied to the Beckmann rearrangement to give only one regioisomer of type (V) exclusively.
ChemInform Abstract: Asymmetric Catalytic 1,3‐Dipolar Cycloaddition Reaction of Nitrile Imines for the Synthesis of Chiral Spiro‐Pyrazoline‐Oxindoles.
Authors: Wang Gang , Liu Xiaohua , Huang Tianyu , Kuang Yulong , Lin Lili , Feng Xiaoming
Published: May 2013

The reaction represents the only catalytic synthesis of spiro‐pyrazoline‐oxindole derivatives in high yields and enantioselectivities.
ChemInform Abstract: An Efficient One‐Pot Synthesis of 3,5‐Diaryl‐4‐bromopyrazoles by 1,3‐Dipolar Cycloaddition of in situ Generated Diazo Compounds and 1‐Bromoalk‐1‐ynes.
Authors: Sha Qiang , Wei Yunyang
Published: May 2013

Aldehyde‐derived hydrazones produce isomerization products of type (III)/(V), whereas ketone‐derived hydrazones afford cycloadducts such as (VII), (IX) or (XI).
ChemInform Abstract: Pyrazole‐3/5‐carboxylic Acids from 3/5‐Trifluoromethyl NH‐Pyrazoles.
Authors: Ermolenko Mikhail S. , Guillou Sandrine , Janin Yves L.
Published: May 2013

The title compounds are obtained by use of Suzuki—Miyaura or Negishi coupling reactions followed by microwave‐assisted trifluoromethyl hydrolysis.
ChemInform Abstract: Solvent‐Controlled, Regio‐Switchable Formation of 3‐/5‐Arylaminopyrazole Isomer in Cyclocondensation of β‐Aminoenones with Hydrazides: Intermolecular Hydrogen Bonding Plays a Role.
Authors: Xiang Dexuan , Bi Xihe , Liao Peiqiu , Fang Guichun , Wang Zikun , Xin Xiaoqing , Dong Dewen
Published: May 2013

The regiochemical course of the ring transformation of semicyclic β‐aminoenones (I) with methylhydrazine (II) is shown to be solvent‐controlled.
ChemInform Abstract: Microwave Synthesis, Characterization and Bio‐Efficacy Evaluation of Novel Chalcone Based 6‐Carbethoxy‐2‐cyclohexen‐1‐one and 2H‐Indazol‐3‐ol Derivatives.
Authors: Shakil N. A. , Singh Manish K. , Sathiyendiran M. , Kumar J. , Padaria Jasdeep C.
Published: May 2013

Derivatives (IIIg) and (IVg) are the most active anti‐fungal agents against Rhizoctonia solani.
ChemInform Abstract: Synthesis of Substituted Indazole‐5,6‐dicarbonitriles.
Authors: Chirkova Zh. V. , Sharunov V. S. , Filimonov S. I. , Abramov I. G. , Firgang S. I. , Stashina G. A.
Published: May 2013

Two different approaches to previously unknown indazole‐5,6‐dicarbonitriles are developed.
ChemInform Abstract: Organocatalytic Asymmetric One‐Pot Sequential Conjugate Addition/Dearomative Fluorination: Synthesis of Chiral Fluorinated Isoxazol‐5(4H)‐ones.
Authors: Meng Wen‐Ting , Zheng Yan , Nie Jing , Xiong Heng‐Ying , Ma Jun‐An
Published: May 2013

By using the bifunctional chiral tertiary amino‐thiourea catalyst STC, a series of chiral fluorinated isoxazol‐5(4H)‐ones containing a fluorine‐substituted quarternary stereocenter are obtained in high yields with high enantio‐ and diastereoselectivities.
ChemInform Abstract: On the Reaction of Sterically Hindered α,β‐Unsaturated Ketones with Hydroxylamine: Preparation of 5‐Hydroxy Derivatives of Isoxazolidine and 4,5‐Dihydroisoxazole.
Authors: Mavrov M. V. , Firgang S. I.
Published: May 2013

In some cases 4,5‐dihydroisoxazoles are obtained after standing for 2‐4 months of the mother liquors from the reactions of (I) and (III) and isolated in only 8‐15%.
ChemInform Abstract: Efficient Synthesis of New Functionalized 2‐(Hetaryl)thiazoles.
Authors: Bondock Samir , El‐Azab Hossam , Kandeel Ez‐Eldin M. , Metwally Mohamed A.
Published: May 2013

Aminothiazole derivatives (I) and (XIV) are used as starting materials for the synthesis of a variety of heterocyclic compounds.
ChemInform Abstract: The Cyclopropyliminium Rearrangement of Cyclopropylthiazoles.
Authors: Tomilov Yury V. , Salikov Rinat F. , Platonov Dmitry N. , Lipilin Dmitry L. , Frumkin Aleksandr E.
Published: May 2013

Cyclopropylthiazolium hydrohalogenides undergo iminocyclopropane‐pyrroline rearrangement in a melt to furnish corresponding pyrrolothiazolium salts [cf.
ChemInform Abstract: Intercepting the Breslow Intermediate via Claisen Rearrangement: Synthesis of Complex Tertiary Alcohols Without Organometallic Reagents.
Authors: Alwarsh Sefat , Ayinuola Kolawole , Dormi Silvana S. , McIntosh Matthias C.
Published: May 2013

The method presents advantages over the known procedures.
ChemInform Abstract: Cu(II) Catalyzed Chemoselective Oxidative Transformation of Thiourea to Thioamidoguanidine/2‐Aminobenzothiazole.
Authors: Sahoo Santosh K. , Khatun Nilufa , Gogoi Anupal , Deb Arghya , Patel Bhismar K.
Published: May 2013

Unsymmetrical thioureas, prepared in situ from isothiocyanates (I) and secondary amines (II), are oxidized by Cu(II) to the corresponding disulfide intermediates, which suffer an imine‐disulfide rearrangement to give thioamidoguanidines (III).
ChemInform Abstract: Homoallenyl Azines in Criss‐Cross Cycloaddition Reactions.
Authors: Galeta Juraj , Man Stanislav , Valouskova Aneta , Potacek Milan
Published: May 2013

Only one diastereomer and regioisomer of type (III) or (VI) is obtained by intra‐intermolecular cycloadditions when (I) or (IV) are reacted with isocyanates or isothiocyanates as dipolarophiles.
ChemInform Abstract: One‐Pot Formation of Chiral Polysubstituted 3,4‐Dihydropyrans via a Novel Organocatalytic Domino Sequence Involving Alkynal Self‐Condensation.
Authors: Dong Li‐Jin , Fan Tian‐Tian , Wang Chao , Sun Jian
Published: May 2013

The presented new organocatalytic hydration/aldol/oxa‐Diels—Alder domino reaction leads to chiral polyfunctionalized dihydropyrans under mild conditions.
ChemInform Abstract: Efficient Generation of ortho‐Naphthoquinone Methides from 1,4‐Epoxy‐1,4‐dihydronaphthalenes and Their Annulation with Allyl Silanes.
Authors: Sawama Yoshinari , Shishido Yuko , Yanase Takayoshi , Kawamoto Koichi , Goto Ryota , Monguchi Yasunari , Kita Yasuyuki , Sajiki Hironao
Published: May 2013

This method yields biologically useful dihydronaphthopyran derivatives.
ChemInform Abstract: Expedient Synthesis of Biologically Potent Aryloxycoumarins and (Aryloxyimino)ethylcoumarins via Copper(II)‐Promoted Chan—Lam Coupling Reaction.
Authors: Medda Arunima , Pal Gargi , Singha Raghunath , Hossain Tabassum , Saha Achintya , Das Asish R.
Published: May 2013

The synthetic approach for the synthesis of the title compounds involves the Cu‐promoted C‐O and N‐O coupling reactions of readily available hydroxycoumarin and (hydroxyimino)ethylcoumarin derivatives with various arylboronic acids in the presence of the system Cu(O‐Ac)2/Et3N.
ChemInform Abstract: 2H‐Chromene Derivatives Bearing Thiazolidine‐2,4‐dione, Rhodanine or Hydantoin Moieties as Potential Anticancer Agents.
Authors: Azizmohammadi Mohammad , Khoobi Mehdi , Ramazani Ali , Emami Saeed , Zarrin Abdolhossein , Firuzi Omidreza , Miri Ramin , Shafiee Abbas
Published: May 2013

All products are purified by recrystallization.
ChemInform Abstract: Annulation of α,β‐Unsaturated Imines and Alkynes via Cobalt‐Catalyzed Olefinic C—H Activation.
Authors: Yamakawa Takeshi , Yoshikai Naohiko
Published: May 2013

Various polysubstituted dihydropyridine derivatives are synthesized by the title reaction under mild conditions.
ChemInform Abstract: 2‐Pyridone Synthesis Using 2‐(Phenylsulfinyl)acetamide.
Authors: Fujii Masaya , Nishimura Takuya , Koshiba Takahiro , Yokoshima Satoshi , Fukuyama Tohru
Published: May 2013

Title compounds are prepared by the present new and efficient protocol including the 1,4‐addition of 2‐(phenylsulfinyl)acetamide to α,β‐unsaturated ketones followed by cyclization and sulfoxide elimination.
ChemInform Abstract: Organocatalytic Asymmetric Multicomponent Reactions of Aromatic Aldehydes and Anilines with β‐Ketoesters: Facile and Atom‐Economical Access to Chiral Tetrahydropyridines.
Authors: Li Xuejian , Zhao Yanyan , Qu Haijun , Mao Zhenjun , Lin Xufeng
Published: May 2013

A chiral 1,1′‐spirobiindane‐7,7′‐diol phosphoric acid is successfully applied as catalyst for the asymmetric synthesis of tetrahydropyridines (IV) from ketoester (I), aldehydes (II), and anilines (III).
ChemInform Abstract: Synthesis and Antiplasmodial Evaluation of Novel (4‐Aminobutyloxy)quinolines.
Authors: Vandekerckhove Stephanie , Mueller Christian , Vogt Dieter , Lategan Carmen , Smith Peter J. , Chibale Kelly , De Kimpe Norbert , D'hooghe Matthias
Published: May 2013

Title compounds [(VII), (IX), (XI), and (XIII)] are synthesized starting from corresponding hydroxyquinolines like (I) via a rhodium‐catalyzed hydroformylation as the key step.
ChemInform Abstract: Highly Enantioselective Three‐Component Povarov Reaction Catalyzed by SPINOL‐Phosphoric Acids.
Authors: Huang Dan , Xu Fangxi , Chen Tao , Wang Yanguang , Lin Xufeng
Published: May 2013

Enantiopure SPINOL‐phosphoric acids exhibit high activities and excellent diastereo‐ and enantioselectivities in the catalysis of the three‐component Povarov reaction of N‐vinylcarbamate (III), anilines (II) and aldehydes (I).
ChemInform Abstract: Synthesis of Quinolines by N‐Deformylation and Aromatization via Solvent‐Free, High‐Speed Ball Milling.
Authors: Yu Jingbo , Li Zhenhua , Su Weike
Published: May 2013

The recovery and reuse of polyethylene glycol and sodium chloride enables multiple cycles using the same promoter system without a decrease of yields.
ChemInform Abstract: Ruthenium‐Catalyzed C—H/O—H and C—H/N—H Bond Functionalizations: Oxidative Annulations of Cyclopropyl‐Substituted Alkynes.
Authors: Deponti Monica , Kozhushkov Sergei I. , Yufit Dmitry S. , Ackermann Lutz
Published: May 2013

A series of cyclopropyl‐substituted isoquinolines is readily prepared by an oxidative annulation of benzamides (I) with cyclopropylethynes (II).
ChemInform Abstract: Metal‐Free Oxidation/C(sp3)—H Functionalization of Unactivated Alkynes Using Pyridine‐N‐Oxide as the External Oxidant.
Authors: Chen Dian‐Feng , Han Zhi‐Yong , He Yu‐Ping , Yu Jie , Gong Liu‐Zhu
Published: May 2013

MesOH plays a crucial role in the process which proceeds in a regioselective manner, except in the case of substrate (VII).
ChemInform Abstract: The Reaction of Tertiary Anilines with Maleimides under Visible Light Redox Catalysis.
Authors: Ju Xuhui , Li Dianjun , Li Weifei , Yu Wei , Bian Fengling
Published: May 2013

A novel visible light‐induced synthesis of tetrahydroquinolines using low loading level of catalyst is presented.
ChemInform Abstract: Synthetic Utility of Ethylidenethiosemicarbazide: Synthesis and Anticancer Activity of 1,3‐Thiazines and Thiazoles with Imidazole Moiety.
Authors: Gomha Sobhi M. , Riyadh Sayed M. , Abbas Ikhlass M. , Bauomi Mohammed A.
Published: May 2013

A variety of new thiazoles and thiazines bearing an imidazole moiety are synthesized using ethylidenethiosemicarbazide (I) as starting material.
ChemInform Abstract: Efficient Synthesis of Benzodiazepino and Pyrazino Carbazoles
Authors: Indumathi T. , Prasad K. J. Rajendra
Published: May 2013

by PPA‐catalyzed reaction of tetrahydro‐1H‐carbazolone (I) with arylic amino acids or glycine
ChemInform Abstract: Organocatalytic Stereoisomerization versus Alkene Isomerization: Catalytic Asymmetric Synthesis of 1‐Hydroxy‐trans‐2,5‐diphenylphospholane 1‐Oxide.
Authors: Hintermann Lukas , Schmitz Marco , Maltsev Oleg V. , Naumov Pance
Published: May 2013

The approach to the title structure is achieved through formation of meso‐2,5‐diaryl‐2,5‐dihydro‐1H‐phosphole derivatives followed by asymmetric isomerization in the presence of cinchonine as optimal catalyst.
ChemInform Abstract: Synthesis of Quaternary Phosphonium Salts from Phosphorylated Sterically Hindered Phenols.
Authors: Andriyashin V. V. , Bakhtiyarova Yu. V. , Cherkasov R. A. , Galkin V. I. , Galkina I. V.
Published: May 2013

A procedure for the synthesis of new 2,6‐di‐tert‐butylphenol derivatives (IV) possessing both phosphonium and phosphonate fragments is described.
ChemInform Abstract: Regioselective Reaction of Selenium Dichloride and Dibromide with Diallyl Sulfide.
Authors: Musalov M. V. , Volkova K. A. , Potapov V. A. , Albanov A. I. , Amosova S. V.
Published: May 2013

Thiaselenanes (II) are formed regioselectively as a result of anti‐Markovnikov addition of selenium dihalide at the allyl group.
ChemInform Abstract: A Practical Synthesis of a Hydroxylated Sesquiterpene Coumarin 10′R‐Acetoxy‐11′‐hydroxyumbelliprenin by Regioselective Dihydroxylation.
Authors: Hattori Yasunao , Kinami Genki , Teruya Kenta , Nosaka Kazuto , Kobayashi Kazuya , Akaji Kenichi
Published: May 2013

A practical synthesis of the title compound (III) is achieved using regioselective Sharpless asymmetric dihydroxylation as a key step.
ChemInform Abstract: Synthesis and in vitro Antimicrobial Activity of 3‐Aryl‐4‐S‐benzyl‐6‐phenylimino‐2‐hepta‐O‐acetyl‐β‐D‐lactosylimino‐ 2,3‐dihydro‐1,3,5‐thiadiazine (Hydrochloride).
Authors: Thorat Sharayu M. , Deshmukh Shirish P.
Published: May 2013

Title compounds (IIIa), (IIIc)—(IIIe) show moderate activity against S.
ChemInform Abstract: Simultaneous Phase and Morphology Controllable Synthesis of Copper Selenide Films by Microwave‐Assisted Nonaqueous Approach.
Authors: Li Jing , Fa Wenjun , Li Yasi , Zhao Hongxiao , Gao Yuanhao , Zheng Zhi
Published: May 2013

Copper selenide films with different structure and morphology are deposited on Cu foils using Se powder in Cy‐OH or Ph‐CH2‐OH (microwaves, 160 °C, 10 min).
ChemInform Abstract: Plutonium Transport in the Environment
Authors: Kersting Annie B.
Published: May 2013

Review: 120 refs.
ChemInform Abstract: Helium Droplets: A Chemistry Perspective
Authors: Yang Shengfu , Ellis Andrew M.
Published: May 2013

Review: 62 refs.
ChemInform Abstract: Role(s) of Adsorbed Water in the Surface Chemistry of Environmental Interfaces
Authors: Rubasinghege Gayan , Grassian Vicki H.
Published: May 2013

Review: 160 refs.
ChemInform Abstract: Models for Intrinsic and Extrinsic Fracto‐mechanoluminescence of Solids
Authors: Chandra B. P. , Chandra V. K. , Jha Piyush
Published: May 2013

Review: 162 refs.
ChemInform Abstract: Corrosion Behavior of Metals or Alloys with a Solid NaCl Deposit in Wet Oxygen at Medium Temperature
Authors: Liu Li , Li Ying , Wang Fu Hui
Published: May 2013

Review: 27 refs.
ChemInform Abstract: Asymmetric Ion‐Pairing Catalysis
Authors: Brak Katrien , Jacobsen Eric N.
Published: May 2013

Review: 142 refs.
ChemInform Abstract: Semiconductor Photocatalysis—Mechanistic and Synthetic Aspects
Authors: Kisch Horst
Published: May 2013

Review: 176 refs.
ChemInform Abstract: 2,1,3‐Benzothiadiazole and Derivatives: Synthesis, Properties, Reactions, and Applications in Light Technology of Small Molecules.
Authors: Neto Brenno A. D. , Lapis Alexandre A. M. , da Silva Junior Eufranio N. , Dupont Jairton
Published: May 2013

Review: 333refs.
ChemInform Abstract: Enantioselective Synthesis of Natural Epoxyquinoids
Authors: Pandolfi Enrique , Schapiro Valeria , Heguaburu Viviana , Labora Maitia
Published: May 2013

Review: 173 refs.
ChemInform Abstract: Halogen Bonding: An Interim Discussion
Authors: Politzer Peter , Murray Jane S.
Published: May 2013

Review: 181 refs.
ChemInform Abstract: Recent Advances in the Construction of Polycyclic Compounds by Palladium‐Catalyzed Atom‐Economical Cascade Reactions
Authors: Ohno Hiroaki
Published: May 2013

Review: 108 refs.
ChemInform Abstract: New Synthetic Host Pillararenes: Their Synthesis and Application to Supramolecular Materials
Authors: Ogoshi Tomoki , Yamagishi Tada‐aki
Published: May 2013

Review: 100 refs.
ChemInform Abstract: Surface‐Initiated Polymerization from Carbon Nanotubes: Strategies and Perspectives
Authors: Sakellariou Georgios , Priftis Dimitrios , Baskaran Durairaj
Published: May 2013

Review: 124 refs.
ChemInform Abstract: Cage the Firefly Luciferin! — A Strategy for Developing Bioluminescent Probes
Authors: Li Jing , Chen Laizhong , Du Lupei , Li Minyong
Published: May 2013

Review: 77 refs.
ChemInform Abstract: Biopolymers as a Flexible Resource for Nanochemistry
Authors: Schnepp Zoe
Published: May 2013

Review: 109 refs.
ChemInform Abstract: Three Dimensional Macroporous Architectures and Aerogels Built of Carbon Nanotubes and/or Graphene: Synthesis and Applications
Authors: Nardecchia Stefania , Carriazo Daniel , Ferrer M. Luisa , Gutierrez Maria C. , del Monte Francisco
Published: May 2013

Review: 211 refs.
ChemInform Abstract: Computer Modeling of Liquid Crystals
Authors: Hashim Rauzah
Published: May 2013

Review: 123 refs.
ChemInform Abstract: Recent Developments in HMBC Studies
Authors: Furrer Julien
Published: May 2013

Review: 135 refs.
ChemInform Abstract: Using 1,1‐ and 1,n‐ADEQUATE 2D NMR Data in Structure Elucidation Protocols
Authors: Martin Gary E.
Published: May 2013

Review: 103 refs.
Reactivity of Azole Anions with CO2 from the DFT Perspective
Authors: Tang Huarong , Wu Chao
Published: May 2013

Azole anions are key components in CO2 capture materials that include ionic liquids and porous solids. Herein, we use density functional theory (DFT) and a Langmuir‐type adsorption model to study azole anion–CO2 interactions. Linear CO2 has to be bent by approximately 45° to form an NC bond within the azole ring. The energy cost of bending renders CO2 absorption much more difficult compared to SO2 absorption. For different azole anions, the number of nitrogen atoms in the ring and the natural bond orbital energy of the reacting nitrogen lone pair, both linearly correlate with the calculated reaction enthalpy and are useful handles for new sorbent designs. Unlike for SO2, the azole parent architecture (unsubstituted) does not allow successive CO2 absorption under mild conditions (<0.12 MPa and at room temperature). Experimental CO2 and SO2 absorption isotherms are reproduced by using the Langmuir model parameterized with the calibrated DFT reaction enthalpies. This study provides insight for designing azole‐based CO2‐capture materials.