bluuebunny/crossref_metadata_2025_split huggingface dataset:
Decoupling Fluorescence and Photochromism in Bifunctional Azo Derivatives for Bulk Emissive Structures
Authors: Jacquart Aurélie , Williams René M. , Brouwer Albert M. , Ishow Eléna 
Published: February 2012

AbstractBifunctional molecules that combine independent push–pull fluorophores and azo photochromes have been synthesized to create fluorescent structures upon light‐induced migration in neat thin films. Their photochromic and emissive properties have been systematically investigated and interpreted in light of those of the corresponding model compounds. Fluorescence lifetimes and photoisomerization and fluorescence quantum yields have been determined in toluene solution. Kinetic analyses of the femtosecond transient absorption spectra reveal that the fluorophores evolve in a few picoseconds into a distorted intramolecular charge‐transfer excited state, strongly stabilized in energy. Radiative relaxation to the ground state occurred competitively with the energy‐transfer process to the azo moiety. Introduction of a 10 Å‐long rigid and nonconjugated bridge between the photoactive units efficiently inhibits the energy transfer while it imparts enhanced free volume, which favors photoactivated molecular migration in the solid state.
ChemInform Abstract: Role of NH3 in the Dehydrogenation of Calcium Amidoborane Ammoniate and Magnesium Amidoborane Ammoniate: A First‐Principles Study.
Authors: Li Wen , Wu Guotao , Chua Yongshen , Feng Yuan Ping , Chen Ping 
Published: February 2012

AbstractDFT calculations on solid Ca(NH2BH3)2·2NH3 and Mg(NH2BH3)2·NH3 are used to characterize the role of NH3 in improving the dehydrogenation properties of metal amidoborane monoammoniates compared to those of Ca(NH2BH3)2 and Mg(NH2BH3)2.
ChemInform Abstract: BiSr3(YO)3(BO3)4: A New Gaudefroyite‐Type Rare‐Earth Borate with Moderate SHG Response.
Authors: Gao Jianhu , Li Shuai 
Published: February 2012

AbstractThe title compound is synthesized by solid state reaction of a stoichiometric mixture of Bi2O3, SrCO3, Y2O3, and H3BO3 (Pt crucible, 950 °C, 2 d).
ChemInform Abstract: Manganese‐Catalyzed Cleavage of a Carbon—Carbon Single Bond Between Carbonyl Carbon and α‐Carbon Atoms of Ketones.
Authors: Kuninobu Yoichiro , Uesugi Tadamasa , Kawata Atsushi , Takai Kazuhiko 
Published: February 2012

AbstractThe treatment of aromatic or aliphatic ketones with carbodiimides in the presence of a tri‐ or dinuclear manganese catalyst affords amides in good to excellent yields and quinoline derivatives as side products.
ChemInform Abstract: Palladium(II) Acetate as Catalyst for the N‐Alkylation of Aromatic Amines, Sulfonamides, and Related Nitrogenated Compounds with Alcohols by a Hydrogen Autotransfer Process.
Authors: Martinez‐Asencio Ana , Yus Miguel , Ramon Diego J. 
Published: February 2012

AbstractIt is demonstrated that palladium acetate is an efficient catalyst for the process.
ChemInform Abstract: Sequential One‐Pot Isomerization—Wittig Olefination—Hydrogenation.
Authors: Sabitha Gowravaram , Nayak Sambit , Bhikshapathi M. , Chittapragada Maruthi , Yadav J. S. 
Published: February 2012

AbstractThe Pd‐catalyzed isomerization of allylic alcohols to aldehydes and subsequent addition of Wittig ylides gives α,β‐unsaturated carbonyl compounds in one pot.
ChemInform Abstract: Asymmetric Morita—Baylis—Hillman Reaction of 2‐Cyclohexen‐1‐one Catalyzed by Chiral Biaryl‐Based Bis(thiourea) Organocatalysts.
Authors: Nakayama Yuki , Gotanda Takashi , Ito Katsuji 
Published: February 2012

AbstractAmong the new organocatalysts, derivative (Ia) is found to be the most efficient one which can be used for aliphatic and aromatic aldehydes.
ChemInform Abstract: Regio‐ and Stereoselective Synthesis of 1,4‐Dienes.
Authors: Oishi Shigeki , Hatano Keisuke , Tsubouchi Akira , Takeda Takeshi 
Published: February 2012

AbstractTitanocene‐promoted alkenylation of terminal allenes (I) with (Z)‐alkenyl sulfones (II) gives rise to (E,Z)‐dienes (III) as main or sole reaction product in most cases.
ChemInform Abstract: Preparation of Silica‐Bonded Propyl‐diethylene‐triamine‐N‐sulfamic Acid as a Recyclable Catalyst for Chemoselective Synthesis of 1,1‐Diacetates.
Authors: Nouri Sefat Maryam , Deris Abdolah , Niknam Khodabakhsh 
Published: February 2012

AbstractThe described procedure does not work for ketones.
ChemInform Abstract: Reaction of Methylenecyclobutanes with NXS‐H2O System.
Authors: Yu Lei , Ren Lingfeng , Xu Bei , Guo Rong 
Published: February 2012

AbstractThe reaction of methylenecyclobutanes of type (I) or (III) proceeds with N‐bromo‐ or N‐iodosuccinimides in the presence of water depending on the substrate used.
ChemInform Abstract: Synthesis of Six‐Membered Functionalized Carbocyclic Compounds by One‐Pot Reaction of Hydroquinone Derivatives and Dienes.
Authors: Cai Guang‐Rong , Guan Zhi , He Yan‐Hong 
Published: February 2012

AbstractA general method for the one‐pot reaction of diphenol (hydroquinone, catechol) derivatives with dienes is developed.
ChemInform Abstract: Preparation of Silica Nanoparticles from Organic Laboratory Waste of Silica Gel HF254 and Their Use as a Highly Efficient Catalyst for the One‐Pot Synthesis of 2,3‐Dihydro‐1H‐isoindolone Derivatives.
Authors: Ramazani Ali , Mahyari Amir , Farshadi Azam , Rouhani Morteza 
Published: February 2012

AbstractMulticomponent reaction of o‐formylbenzoic acid derivative (I) with secondary amines (III) and isocyanides (II) proceeds smoothly in the presence of silica nanoparticles under neat conditions to give dihydroisoindolone derivatives (IV) in good yields.
ChemInform Abstract: NHC‐Triggered Cascade Metal‐Free Synthesis of 2,3‐Diarylated Indoles under Solvent‐Free Conditions.
Authors: Yao Changsheng , Wang Donglin , Lu Jun , Qin Bingbin , Zhang Honghong , Li Tuanjie , Yu Chenxia 
Published: February 2012

AbstractThe sequence allows to construct the required indoles from simple precursors, i.e.
ChemInform Abstract: Synthesis of Substituted 3‐Cyano‐ and 3‐(Arenesulfonyl)indoles from o‐Nitrobenzyl Cyanides and Sulfones.
Authors: Wrobel Zbigniew , Wojciechowski Krzysztof 
Published: February 2012

AbstractReductive cyclization of functionalized ortho‐nitroaryl substituted enamines with zinc in acetic acid offers an interesting entry to polysubstituted indoles.
ChemInform Abstract: Gold(I)‐Catalyzed Polycyclizations of Polyenyne‐Type Anilines Based on Hydroamination and Consecutive Hydroarylation Cascade.
Authors: Hirano Kimio , Inaba Yusuke , Takasu Kiyosei , Oishi Shinya , Takemoto Yoshiji , Fujii Nobutaka , Ohno Hiroaki 
Published: February 2012

AbstractIt allows an efficient access to a number of polycyclic carbazole derivatives.
ChemInform Abstract: One‐Pot Synthesis of Indole‐Fused Scaffolds via Gold‐Catalyzed Tandem Annulation Reactions of 1,2‐Bis(alkynyl)‐2‐en‐1‐ones with Indoles.
Authors: Xie Xin , Du Xiangwei , Chen Yifeng , Liu Yuanhong 
Published: February 2012

AbstractThe efficient and rapid method allows the preparation of fused indoles such as (III), (V), and (VIII).
ChemInform Abstract: Facile Synthesis of Novel CF3‐Substituted Ring‐Fused Furo[2,3‐c]pyrazoles Through Rh2(OAc)4 Catalyzed [3 + 2] Cycloaddition of 4‐Diazo‐1‐phenyl‐3‐(trifluoromethyl)‐1H‐pyrazol‐5(4H)‐one with Aromatic Alkynes.
Authors: Zhang Zhenhua , Han Jianwei , Zhu Shizheng 
Published: February 2012

AbstractThe pyrazoles are important structural units in pigments and dyes with remarkable biological activities and building blocks in organic synthesis.
ChemInform Abstract: One‐Pot Addition—Intramolecular N‐Cyclization of Carbamates Mediated by Alkali Metallic Reagents as an Approach to 4‐(Fluoroalkyl)oxazolidin‐2‐ones.
Authors: Yang Xue‐Yan , Fang Xiang , Ju Zheng‐Hua , Hu Yun‐Li , Wu Fan‐Hong 
Published: February 2012

AbstractOptimized conditions are developed for the synthesis of the title compounds, which are of high interest in medicinal chemistry.
ChemInform Abstract: Modular Synthesis of Mono‐, Di‐, and Tri‐1,4‐Disubstituted‐1,2,3‐triazoles Through Copper‐Mediated Alkyne—Azide Cycloaddition.
Authors: Stefani Helio A. , Canduzini Hugo A. , Manarin Favia 
Published: February 2012

AbstractThe sequence shown permits the assembly of two (or more) 1,2,3‐triazole units in one molecule.
ChemInform Abstract: Aluminum(III) Hydrogensulfate: An Efficient Solid Acid Catalyst for the Preparation of 5‐Substituted 1H‐Tetrazoles.
Authors: Sajadi S. Mohammad , Khalaj Mehdi , Mohammad Sayyed , Jamkarani Hosseini , Mahame Mehdi , Kashefib Mehrdad 
Published: February 2012

AbstractThe presented method has the advantages of good yields, simple operability, and easy work‐up.
ChemInform Abstract: Novel Sulfonamide Catalyzed Asymmetric Hetero‐Diels—Alder Reaction of Ethyl Glyoxylate with Danishefsky′s Diene.
Authors: Kanemitsu Takuya , Asajima Yasufumi , Shibata Takashi , Miyazaki Michiko , Nagata Kazuhiro , Itoh Takashi 
Published: February 2012

AbstractNovel sulfonamide organocatalysts (I) are prepared from chiral Betti base and various sulfonyl chlorides and applied to the asymmetric hetero‐Diels‐Alder reaction of Danishefsky′s diene (II) with ethyl glyoxylate (III).
ChemInform Abstract: Gold(III)‐Catalyzed Tandem Conjugate Addition/Annulation of 4‐Hydroxycoumarins with α,β‐Unsaturated Ketones.
Authors: Liu Yunkui , Zhu Jie , Qian Jianqiang , Jiang Bo , Xu Zhenyuan 
Published: February 2012

AbstractThe procedure allows an efficient and selective access to biologically important pyranocoumarins.
ChemInform Abstract: Iodobenzene Catalyzed Synthesis of Spirofurans and Benzopyrans by Oxidative Cyclization of Vinylogous Esters.
Authors: Ngatimin Marsewi , Frey Raphael , Andrews Cecily , Lupton David W. , Hutt Oliver E. 
Published: February 2012

AbstractThe oxidative cyclization of vinylogous esters (I) bearing a para‐methoxybenzyl group affords spirofuran derivatives (II), whilst the cyclization of vinylogous esters (III) bearing a meta‐methoxybenzyl group gives rise to benzopyran derivatives (IV) as a sole product, even in the case of compound (IIId) bearing both meta‐ and para‐methoxybenzyl moieties.
ChemInform Abstract: An Inhibitor‐Like Binding Mode of a Carbonic Anhydrase Activator within the Active Site of Isoform II.
Authors: Dave Khyati , Ilies Marc A. , Scozzafava Andrea , Temperini Claudia , Vullo Daniela , Supuran Claudiu T. 
Published: February 2012

AbstractSalt (I), obtained by the Bayer—Piccard synthesis, is investigated as activator of several cytosolic and transmembrane carbonic anhydrase isoforms.
ChemInform Abstract: One‐Pot Approach to 2,3‐Disubstituted‐2,3‐dihydro‐4‐quinolones from 2‐Alkynylbenzamides.
Authors: Okamoto Noriko , Takeda Kei , Ishikura Minoru , Yanada Reiko 
Published: February 2012

AbstractAn efficient method to prepare trans‐2,3‐substituted dihydroquinolones is reported.
ChemInform Abstract: Effect of Poly(ethylene glycol)‐400 and Carbon on MoO3 Nanocomposite Materials and Its Catalytic Activity for Biginelli Reactions.
Authors: Navgire Madhukar , Yelwande Ajeet , Arbad Balasaheb , Lande Machhindra 
Published: February 2012

AbstractAn efficient catalytic system for the synthesis of 3,4‐dihydropyrimidone derivatives via a Biginelli‐type reaction is described.
ChemInform Abstract: Sulfamic Acid as a Reusable and Green Catalyst for Efficient and Simple Synthesis of 2‐Substituted‐2,3‐dihydroquinazolin‐4(1H)‐ones in Water or Methanol.
Authors: Rostami Amin , Tavakoli Ashkan 
Published: February 2012

AbstractSulfamic acid is demonstrated to be efficient catalyst for the cyclocondensation of anthranilamide with aldehydes and ketones.
ChemInform Abstract: Synthesis, Pharmacophore Modeling and in vitro Activity of 10,11‐Dihydrodibenzo[b,f]oxepine‐4‐carboxamide Derivatives as Novel and Potent Antagonists of the Prostaglandin EP4 Receptor.
Authors: Stasi Luigi Piero , et al. et al. 
Published: February 2012

AbstractCompound ((S)‐XIIb) shows an excellent selectivity profile toward EP2 receptor subtype and low cytochrome P450 inhibition potential.
ChemInform Abstract: Discovery of Novel Cobactin‐T Based Matrix Metalloproteinase Inhibitors via a Ring Closing Metathesis Strategy.
Authors: Wilson Lawrence J. , Wang Bingbing , Yang Shyh‐Ming , Scannevin Robert H. , Burke Sharon L. , Karnachi Prabha , Rhodes Kenneth J. , Murray William V. 
Published: February 2012

AbstractA series of novel MMP inhibitors based on the natural product cobactin‐T are synthesized utilizing a ring closing metathesis reaction as the key reaction.
ChemInform Abstract: Synthesis and Biological Evaluation of Novel Homocamptothecins Conjugating with Dihydropyrimidine Derivatives as Potent Topoisomerase I Inhibitors.
Authors: Sheng Chunquan , et al. et al. 
Published: February 2012

AbstractMost of the synthesized compounds exhibit good antiproliferative activities on tumor cell lines A549, MDA‐MB‐435 and HCT116.
ChemInform Abstract: Crystalline Components from the Stem Bark of Callistemon lanceolatus.
Authors: Jain Renuka , Sharma Archana , Rawat Sapna , Jain Satish C. 
Published: February 2012

AbstractTwo novel phenolic acid esters, dotriacontanyl ferulate (Ia) and 32‐hydroxy dotriacontanyl ferulate (Ib), are isolated together with six known triterpenoids and two steroids.
ChemInform Abstract: A New Efficient Synthetic Method for 3‐Iodothyronamine and Its Potent Hypothermic Efficacy.
Authors: Kim Joong‐Gon , Song Young‐Kyu , Jeon Su‐Yeon , Lim Ye‐Ji , Ju Hyunwoo , Choi Inho , Chung Chan‐Moon 
Published: February 2012

AbstractCompared to the conventional method the title synthesis has the advantage of less synthetic steps and higher overall yield.
Modeling and Simulation of Evaporating Spray Flows with Coalescence in an Eulerian Framework
Authors: Gopireddy Srikanth R. , Humza Rana M. , Gutheil Eva 
Published: February 2012

AbstractThe study concerns the modeling and simulation of gas‐droplet and droplet‐droplet interactions on spray dynamics and droplet size distribution in turbulent spray flows where the spray is described in an Eulerian framework. The primary focus is to develop a suitable mathematical model that can describe the underlying physics including the polydispersion of the spray, evaporation, drag, coalescence, and interaction with the convective gas flow. This is achieved by applying the direct quadrature method of moments, which is extended to account for evaporation, drag force and coalescence by implementing well‐established standard models available in literature. The model is developed and formulated in three‐dimensional physical space, whereas the computations are carried out in a one‐dimensional geometric configuration since the reference experimental setup is only one‐dimensional. A water spray carried by nitrogen was injected through a hollow cone nozzle into a cylindrical spray chamber. The results reveal that evaporation and coalescence have a significant effect on the droplet size distribution whereas the droplet velocity is influenced by drag force as anticipated. Computational and experimental results agree very well when coalescence is considered.
Removal of Arsenic from Simulated Groundwater Using GAC‐Ca in Batch Reactor: Kinetics and Equilibrium Studies
Authors: Mondal Prasenjit , Mohanty Bikash , Majumder Chandrajit Balo 
Published: February 2012

AbstractThis paper deals with kinetics and equilibrium studies on the adsorption of arsenic species from simulated groundwater containing arsenic (As(III)/As(V), 1:1), Fe, and Mn in concentrations of 0.188, 2.8, and 0.6 mg/L, respectively, by Ca2+ impregnated granular activated charcoal (GAC‐Ca). Effects of agitation period and initial arsenic concentration on the removal of arsenic species have also been described. Although, most of the arsenic species are adsorbed within 10 h of agitation, equilibrium reaches after ∼24 h. Amongst various kinetic models investigated, the pseudo second order model is more adequate to explain the adsorption kinetics and film diffusion is found to be the rate controlling step for the adsorption of arsenic species on GAC‐Ca. Freundlich isotherm is adequate to explain the adsorption equilibrium. However, empirical polynomial isotherm gives more accurate prediction on equilibrium specific uptakes of arsenic species. Maximum specific uptake (qmax) for the adsorption of As(T) as obtained from Langmuir isotherm is 135 µg/g.
Fine structural organization of the hemiellipsoid body of the land hermit crab, Coenobita clypeatus
Authors: Brown Sheena , Wolff Gabriella 
Published: February 2012

AbstractElectron microscopical observations of the hemiellipsoid bodies of the land hermit crab Coenobita clypeatus resolve microglomerular synaptic complexes that are comparable to those observed in the calyces of insect mushroom bodies and which characterize olfactory inputs onto intrinsic neurons. In an adult hermit crab, intrinsic neurons and one class of efferent neurons originate from neuronal somata of globuli cells covering the hemiellipsoid bodies. Counts of their nucleoli show that about 120,000 globuli cells supply each hemiellipsoid body in an adult hermit crab. This number is comparable to the number of globuli cells supplying mushroom bodies of certain insects, such as honey bees and cockroaches. Counts of axons in tracts leading from the olfactory lobes to the hemiellipsoid bodies resolve 20,000 afferent axons, however, an order of magnitude greater than known for any insect. These afferent axons provide numerous swollen varicosities, each presynaptic to many small profiles, and thus comparable to the microglomeruli that characterize insect mushroom body calyces. Also, common to mushroom bodies and hemiellipsoid bodies are arrangements of intrinsic neurons, afferent neurons containing dense core vesicles, and systems of serial synaptic complexes that relate to postsynaptic profiles of efferent neurons. Together, the ultrastructural organization of the hemiellipsoid bodies of C. clypeatus supports the proposition that this center may share a common origin with the insect mushroom body despite obvious divergent evolution of overall shape. J. Comp. Neurol. 520:2847–2863, 2012. © 2012 Wiley Periodicals, Inc.
A DFT Study of the Structures of Aux Clusters on a CeO2(111) Surface
Authors: Teng Bo‐Tao , Wu Feng‐Min , Huang Wei‐Xin , Wen Xiao‐Dong , Zhao Lei‐Hong , Luo Meng‐Fei 
Published: February 2012

AbstractStudying the structures of metal clusters on oxide supports is challenging due to their various structural possibilities. In the present work, a simple rule in which the number of Au atoms in different layers of Aux clusters is changed successively is used to systematically investigate the structures of Aux (x=1–10) clusters on stoichiometric and partially reduced CeO2(111) surface by DFT calculations. The calculations indicate that the adsorption energy of a single Au atom on the surface, the surface structure, as well as the AuAu bond strength and arrangement play the key roles in determining Aux structures on CeO2(111). The most stable Au2 and Au3 clusters on CeO2(111) are 2D vertical structures, while the most stable structures of Aux clusters (x>3) are generally 3D structures, except for Au7. The 3D structures of large Aux clusters in which the Au number in the bottom layer does not exceed that in the top layer are not stable. The differences between Aux on CeO2(111) and Mg(100) were also studied. The stabilizing effect of surface oxygen vacancies on Aux cluster structures depends on the size of Aux cluster and the relative positions of Aux cluster and oxygen vacancy. The present work will be helpful in improving the understanding of metal cluster structures on oxide supports.
Tuning the Properties of Redox‐Active Guanidino‐Functionalized Aromatic Ligands by Substitution: Experiment and Theory
Authors: Peters Anastasia , Herrmann Hendrik , Magg Martin , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: February 2012

AbstractSubstitution of the aromatic hydrogen atoms in the electron donors 1,2,4,5‐tetrakis(tetramethylguanidino)benzene (1a) and 1,2,4,5‐tetrakis(N,N′‐dimethyl‐N,N′‐ethyleneguanidino)benzene (1b) by iodide (to give 2a and 2b) and nitro groups (to give 3a and 3b) afforded new redox‐active ligands. Their properties (electron donor capacity, Brønsted basicity and optical spectra) have been analyzed and compared with the unsubstituted 1,2,4,5‐tetrakis(guanidino)benzenes. The experimental results are supplemented by quantum chemical calculations. The first late‐transition metal complex of the push–pull ligand 3a was prepared and characterized and its oxidation studied.
A new view to intracellular pathogens and host responses in the South of Spain
Authors: Portillo Francisco García‐del , Cossart Pascale 
Published: February 2012

AbstractA workshop on ‘The Biology of Intracellular Bacterial Pathogens’ was held last October in a venue of the International University of Andalusia (UNIA) located in the World Historic Heritage town of Baeza, in the South of Spain. This Workshop gathered leading scientists from around the world to discuss their latest findings related to the mechanisms that intracellular pathogens use to subvert and manipulate host cell functions. The workshop focused on novel aspects that imprint current research in this discipline, including the heterogeneous behaviour of the pathogen at the population level, the host determinants that modulate susceptibility to the infection, the search for new drugs to combat these particular types of infections and also cutting edge technologies based on new imaging approaches and the use of microfluidics. Discussion on these topics provided new insights into the biology of these pathogens and enriched the field with new ideas for understanding why colonization of the intracellular niche of eukaryotic cells is a preferred strategy used by important human pathogens.
An efficient approach for frequency‐domain and time‐domain hydrodynamic analysis of dam–reservoir systems
Authors: Lin Gao , Wang Yi , Hu Zhiqiang 
Published: February 2012

SUMMARYAn efficient procedure is developed for the hydrodynamic analysis of dam–reservoir systems. The governing equations of hydrodynamic pressure in the frequency as well as time domain are derived in the framework of the scaled boundary finite element method. The water compressibility and absorption of reservoir sediments can be conveniently taken into consideration. By extending the reservoir to infinity with uniform cross‐section, only the dam–reservoir interface needs to be discretized to model the fluid domain, and the hydrodynamic pressure in the stream direction is solved analytically. Several numerical examples including a gravity dam with an inclined upstream face and an arch dam with a reservoir of arbitrary cross‐section are provided to demonstrate the computational efficiency and accuracy of the proposed method. Copyright © 2012 John Wiley & Sons, Ltd.
Asymmetric addition of a nitrogen nucleophile to an enoate in the presence of a chiral phase‐transfer catalyst: A novel approach toward enantiomerically enriched protected β‐amino acids
Authors: Weiß Markus , Borchert Sonja , Rémond Emmanuelle , Jugé Sylvain , Gröger Harald 
Published: February 2012

AbstractA proof of concept for the asymmetric organocatalytic aza‐Michael addition reaction of nitrogen nucleophiles with simple and readily available alkyl enoates as acceptor molecules in the presence of a chiral phase‐transfer catalyst has been demonstrated. The desired enantiomerically enriched β‐amino acid derivatives were obtained in up to 86% yield and with enantioselectivities of up to 37% ee. © 2012 Wiley Periodicals, Inc. Heteroatom Chem 23:202–209, 2012; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.21004