bluuebunny/crossref_metadata_2025 huggingface dataset:
Multigenerational effects of whole body exposure to 2.14 GHz W‐CDMA cellular phone signals on brain function in rats
Authors: Shirai Tomoyuki , Imai Norio , Wang Jianqing , Takahashi Satoru , Kawabe Mayumi , Wake Kanako , Kawai Hiroki , Watanabe So‐Ichi , Furukawa Fumio , Fujiwara Osamu
Published: September 2014

The present experimental study was carried out with rats to evaluate the effects of whole body exposure to 2.14 GHz band code division multiple access (W‐CDMA) signals for 20 h a day, over three generations. The average specific absorption rate (SAR, in unit of W/kg) for dams was designed at three levels: high (<0.24 W/kg), low (<0.08 W/kg), and 0 (sham exposure). Pregnant mothers (4 rats/group) were exposed from gestational day (GD) 7 to weaning and then their offspring (F1 generation, 4 males and 4 females/dam, respectively) were continuously exposed until 6 weeks of age. The F1 females were mated with F1 males at 11 weeks old, and then starting from GD 7, they were exposed continuously to the electromagnetic field (EMF; one half of the F1 offspring was used for mating, that is, two of each sex per dam and 8 males and 8 females/group, except for all offspring for the functional development tests). This protocol was repeated in the same manner on pregnant F2 females and F3 pups; the latter were killed at 10 weeks of age. No abnormalities were observed in the mother rats (F0, F1, and F2) and in the offspring (F1, F2, and F3) in any biological parameters, including neurobehavioral function. Thus, it was concluded that under the experimental conditions applied, multigenerational whole body exposure to 2.14 GHz W‐CDMA signals for 20 h/day did not cause any adverse effects on the F1, F2, and F3 offspring. Bioelectromagnetics. 35:497–511, 2014. © 2014 Wiley Periodicals, Inc.
Corruptible social agents
Authors: Gutierrez‐Garcia J. Octavio , Rodríguez Luis‐Felipe
Published: September 2014

Agent‐based virtual simulations of social systems susceptible to corruption (e.g., police agencies) require agents capable of exhibiting corruptible behaviors to achieve realistic simulations and enable the analysis of corruption as a social problem. This paper proposes a formal belief‐desire‐intention framework supported by the functional event calculus and fuzzy logic for modeling corruption based on the integrity level of social agents and the influence of corrupters on them. Corruptible social agents are endowed with beliefs, desires, intentions, and corrupt‐prone plans to achieve their desires. This paper also proposes a fuzzy logic system to define the level of impact of corruption‐related events on the degree of belief in the truth of anti‐corruption factors (e.g., the integrity of the leader of an organization). Moreover, an agent‐based model of corruption supported by the proposed belief‐desire‐intention framework and the fuzzy logic system was devised and implemented. Results obtained from agent‐based simulations are consistent with actual macro‐level patterns of corruption reported in the literature. The simulation results show that (i) the bribery rate increases as more external entities attempt to bribe agents and (ii) the more anti‐corruption factors agents believe to be true, the less prone to perpetrate acts of corruption. Copyright © 2014 John Wiley & Sons, Ltd.
Transdifferentiation of human periodontal ligament stem cells into pancreatic cell lineage
Authors: Lee Jeong Seok , An Seong Yeong , Kwon Il Keun , Heo Jung Sun
Published: September 2014

Human periodontal ligament‐derived stem cells (PDLSCs) demonstrate self‐renewal capacity and multilineage differentiation potential. In this study, we investigated the transdifferentiation potential of human PDLSCs into pancreatic islet cells. To form three‐dimensional (3D) clusters, PDLSCs were cultured in Matrigel with media containing differentiation‐inducing agents. We found that after 6 days in culture, PDLSCs underwent morphological changes resembling pancreatic islet‐like cell clusters (ICCs). The morphological characteristics of PDLSC‐derived ICCs were further assessed using scanning electron microscopy analysis. Using reverse transcription‐polymerase chain reaction analysis, we found that pluripotency genes were downregulated, whereas early endoderm and pancreatic differentiation genes were upregulated, in PDLSC‐derived ICCs compared with undifferentiated PDLSCs. Furthermore, we found that PDLSC‐derived ICCs were capable of secreting insulin in response to high concentrations of glucose, validating their functional differentiation into islet cells. Finally, we also performed dithizone staining, as well as immunofluorescence assays and fluorescence‐activated cell sorting analysis for pancreatic differentiation markers, to confirm the differentiation status of PDLSC‐derived ICCs. These results demonstrate that PDLSCs can transdifferentiate into functional pancreatic islet‐like cells and provide a novel, alternative cell population for pancreatic repair. Copyright © 2014 John Wiley & Sons, Ltd.
Melanoma of the gallbladder: appropriate surgical management and review of the literature
Authors: Christou Demetris , Katodritis Nicos , Decatris Marios P. , Katodritou Angela , Michaelides Ioannis , Nicolaou Nicolaos , Kounoushis Michalis , Hadjicostas Panayiotis
Published: September 2014

Key Clinical Message

Melanomas of the gallbladder (GB) are extremely rare with a very poor prognosis. They feature in the literature as a few case reports and the method of their management is not clear. We report a case of patient with metastatic cutaneous melanoma to the GB, and our treatment suggestion.
Kinetic Monte Carlo Simulations and Molecular Conductance Measurements of the Bacterial Decaheme Cytochrome MtrF
Authors: Byun Hye Suk , Pirbadian Sahand , Nakano Aiichiro , Shi Liang , El‐Naggar Mohamed Y.
Published: September 2014

Microorganisms overcome the considerable hurdle of respiring extracellular solid substrates by deploying large multiheme cytochrome complexes that form 20 nanometer conduits to traffic electrons through the periplasm and across the cellular outer membrane. Here we report the first kinetic Monte Carlo simulations and single‐molecule scanning tunneling microscopy (STM) measurements of the Shewanella oneidensis MR‐1 outer membrane decaheme cytochrome MtrF, which can perform the final electron transfer step from cells to minerals and microbial fuel cell anodes. We find that the calculated electron transport rate through MtrF is consistent with previously reported in vitro measurements of the Shewanella Mtr complex, as well as in vivo respiration rates on electrode surfaces assuming a reasonable (experimentally verified) coverage of cytochromes on the cell surface. The simulations also reveal a rich phase diagram in the overall electron occupation density of the hemes as a function of electron injection and ejection rates. Single‐molecule tunneling spectroscopy confirms MtrF’s ability to mediate electron transport between an STM tip and an underlying Au(111) surface, but at rates higher than expected from previously calculated heme‐to‐heme electron transfer rates for solvated molecules.
Nonlinear multivariate curve resolution alternating least squares (NL‐MCR‐ALS)
Authors: Pomerantsev Alexey L. , Zontov Yuri V. , Rodionova Oxana Ye.
Published: September 2014

Bilinearity is the basic principle of multivariate curve resolution. In this paper, we consider a case when this premise is violated. We demonstrate that the alternating least squares approach can still be used to solve the problem. The developed theory is applied to calibration of spectral data that includes the so‐called saturated peaks, which are flattened because of samples with ultrahigh absorbance. We demonstrate that in spite of serious violations of the Lambert–Beer law, the results of prediction are quite satisfactory, and the accuracy is better than in other competing methods. Copyright © 2014 John Wiley & Sons, Ltd.
Unexpected Cyclization of Tritylamines Promoted by Copper Salt through CH and CN Bond Cleavages to Produce Acridine Derivatives
Authors: Morioka Ryosuke , Hirano Koji , Satoh Tetsuya , Miura Masahiro
Published: September 2014

Herein, we demonstrate that tritylamines undergo an unprecedented copper‐mediated cyclization involving the cleavages of two CH bonds and one CN bond to give 9‐arylacridine derivatives. This kind of acridines is of interest due to their biological properties and their unique optical and electro‐ and photochemical properties. Some of obtained acridine derivatives exhibit intense fluorescence in the solid state.
SEAL by NMR: Glyco‐Based Selenium‐Labeled Affinity Ligands Detected by NMR Spectroscopy
Authors: Hamark Christoffer , Landström Jens , Widmalm Göran
Published: September 2014

We report a method for the screening of interactions between proteins and selenium‐labeled carbohydrate ligands. SEAL by NMR is demonstrated with selenoglycosides binding to lectins where the selenium nucleus serves as an NMR‐active handle and reports on binding through 77Se NMR spectroscopy. In terms of overall sensitivity, this nucleus is comparable to 13C NMR, while the NMR spectral width is ten times larger, yielding little overlap in 77Se NMR spectroscopy, even for similar compounds. The studied ligands are singly selenated bioisosteres of methyl glycosides for which straightforward preparation methods are at hand and libraries can readily be generated. The strength of the approach lies in its simplicity, sensitivity to binding events, the tolerance to additives and the possibility of having several ligands in the assay. This study extends the increasing potential of selenium in structure biology and medicinal chemistry. We anticipate that SEAL by NMR will be a beneficial tool for the development of selenium‐based bioactive compounds, such as glycomimetic drug candidates.
ChemInform Abstract: B182‐: A Quasi‐Planar Bowl Member of the Wankel Motor Family.
Authors: Moreno Diego , Pan Sudip , Zeonjuk Lei Liu , Islas Rafael , Osorio Edison , Martinez‐Guajardo Gerardo , Chattaraj Pratim K. , Heine Thomas , Merino Gabriel
Published: September 2014

Bowl‐like structured B182‐ as the fifth member of the so‐called “Wankel motor” family is found.
ChemInform Abstract: Na1.67Mn2.17(MoO4)3.
Authors: Bouzidi Chahira , Zid Mohamed Faouzi , Driss Ahmed , Frigui Wafa
Published: September 2014

The title compound is prepared by solid state reaction of Na2CO3, Mn(OAc)3·2H2O, and (NH4)2Mo4O13 in the molar ratio Na:Mn:Mo = 2:2:3 (porcelain crucible, 998 K, 3 weeks).
ChemInform Abstract: β‐Nb9VO25.
Authors: Nasri Rawia , Cherif Saida Fatma , Zid Mohamed Faouzi , Driss Ahmed
Published: September 2014

β‐Nb9VO25 is prepared by a solid‐state reaction of Nb2O5, V2O5, and Na2CO3 in the molar ratio of Na:Nb:V = 3:6:1 (porcelain crucible, 1198 K, 1 week, slow cooling).
ChemInform Abstract: Cs5Sn9(OH)·4NH3.
Authors: Friedrich Ute , Korber Nikolaus
Published: September 2014

Red plate‐shaped crystals of the title compound are grown from a solution of CsSnBi (obtained from a melt of the elements at 723 K) in liq.
ChemInform Abstract: Crystal Structure of Pb3(IO4(OH)2)2.
Authors: Weil Matthias
Published: September 2014

The title compound is precipitated from an acidic solution of Pb(NO3)2 to which HIO4 is given in small proportions under boiling.
ChemInform Abstract: Crystal Structure of Ammonium Divanadium(IV,V) Tellurium(IV) Heptaoxide.
Authors: Harrison William T. A. , Johnston Magnus G.
Published: September 2014

(NH4)(VIVO2)(VVO2) (TeO3) is obtained by solvothermal processing of a mixture of V2O5, TeO2, NH3, and H2O (pH 8.5, autoclave, 438 K, 3 d).
ChemInform Abstract: Tetraammineplatinum(II) Dichloride Ammonia Tetrasolvate.
Authors: Grassl Tobias , Korber Nikolaus
Published: September 2014

Single crystals of [Pt(NH3)4]Cl2·4NH3 are grown from a mixture of PtCl2 and N‐acetylglucosamine in liquid NH3 (1.
ChemInform Abstract: Hydrated Manganese(II) Phosphate (Mn3(PO4)2·3H2O) as a Water Oxidation Catalyst.
Authors: Nam Ki Tae , et al. et al.
Published: September 2014

Mn3(PO4)2·3H2O is precipitated from an equimolar solution of KH2PO4 in HEPES (4‐(2‐hydroxyethyl)‐1‐piperazineethanesulfonic acid) buffer and aqueous MnCl2 (pH 7.4, 37 °C, 3 h).
ChemInform Abstract: A Facile Synthesis and Characterization of Sodium Bismuth Sulfide (NaBiS2) under Hydrothermal Condition.
Authors: Kang Sumin , Hong Yonghoon , Jeon Youngjin
Published: September 2014

Nanosheets of the title compound are hydrothermally synthesized as the sole product from mixtures of Bi(NO3)3, L‐cysteine, NaOH, and H2O (autoclave, 180 °C, 72 h, 46% yield).
ChemInform Abstract: Magnetically Retrievable Nano Crystalline Nickel Ferrite‐Catalyzed Aerobic, Ligand‐Free C—N, C—O and C—C Cross‐ Coupling Reactions for the Synthesis of a Diversified Library of Heterocyclic Molecules.
Authors: Paul Sanjay , Pradhan Koyel , Ghosh Sirshendu , De S. K. , Das Asish R.
Published: September 2014

A facile protocol using NiFe2O4 nanoparticles as catalyst allows for the effective N‐arylation of amines, O‐arylation of phenols or hydroxycoumarins, and biaryl/heteroaryl synthesis.
ChemInform Abstract: Palladium Catalyzed N—H Bond Insertion and Intramolecular Cyclization Cascade: The Divergent Synthesis of Heterocyclics.
Authors: Ding Dong , Liu Gang , Xu Guangyang , Li Jian , Wang Guoping , Sun Jiangtao
Published: September 2014

The Pd‐catalyzed N—H insertion reaction of vinyldiazoacetates (II) with o‐triflate‐anilines (I) followed by a base‐promoted cyclization leads to lactones (III).
ChemInform Abstract: Palladium‐Catalyzed Annulation of Internal Alkynes in Aqueous Medium.
Authors: Ang Wei Jie , Tai Chih‐Hsuan , Lo Lee‐Chiang , Lam Yulin
Published: September 2014

It is demonstrated, that a reusable palladacycle efficiently catalyzes the carbo‐ and heteroannulation of internal alkynes with a wide variety of functionalized aryl halides in aqueous media.
ChemInform Abstract: Microwave‐Assisted Synthesis of Quinoxaline Derivatives Using Glycerol as a Green Solvent.
Authors: Zhou W.‐J. , Zhang X.‐Zh. , Sun X.‐B. , Wang B. , Wang J.‐X. , Bai L.
Published: September 2014

The microwave‐assisted synthesis of quinoxaline derivatives using glycerol as solvent is described.
ChemInform Abstract: Reductive Amination of Aldehydes and Amines with an Efficient Pd/NiO Catalyst.
Authors: Yang Huimin , Cui Xinjiang , Deng Youquan , Shi Feng
Published: September 2014

The Pd/NiO catalyst exhibits excellent activity and selectivity in the reductive amination reaction using a wide range of amines and aldehydes as substrates.
ChemInform Abstract: Regio‐ and Diastereoselective Construction of α‐Hydroxy‐δ‐amino Ester Derivatives via 1,4‐Conjugate Addition of β,γ‐Unsaturated N‐Sulfonylimines.
Authors: Qiu Lin , Gao Lixin , Tang Jixing , Wang Dongwei , Guo Xin , Liu Shunying , Yang Liping , Li Jia , Hu Wenhao
Published: September 2014

The title compounds show inhibitory activity on PTP1B and SIRT1 enzymes in vitro.
ChemInform Abstract: Cu(II)‐Mediated C—H Amidation and Amination of Arenes: Exceptional Compatibility with Heterocycles.
Authors: Shang Ming , Sun Shang‐Zheng , Dai Hui‐Xiong , Yu Jin‐Quan
Published: September 2014

The new method for the C—H amidation and amination of (hetero)arenes employs a readily removable directing group.
ChemInform Abstract: One‐Pot Synthesis of Mannich Bases under Solvent‐Free Conditions.
Authors: Demirkol Onur , Akbaslar Dilek , Giray Sultan , Anil B. Baris
Published: September 2014

The reported protocol offers several advantages such as good yield, simple processing with easy work‐up and without use of any volatile, hazardous organic solvents and metallic catalysts.
ChemInform Abstract: Chemoenzymatic Dynamic Kinetic Resolution of Primary Amines Using a Recyclable Palladium Nanoparticle Catalyst Together with Lipases.
Authors: Gustafson Karl P. J. , Lihammar Richard , Verho Oscar , Engstroem Karin , Baeckvall Jan‐E.
Published: September 2014

In the presence of lipase B from Candida antarctica and Pd‐nanoparticles immobilized on amino‐functionalized siliceous mesocellular foam, primary benzylic amines are found to undergo efficient dynamic kinetic resolution.
ChemInform Abstract: Reaction of Phenols with 1‐Adamantanol in the Presence of 1‐Bromoadamantane.
Authors: Sokolenko W. A. , Svirskaya N. M. , Rubaylo A. I.
Published: September 2014

The adamantylation of phenols with 1‐adamantanol in the presence of 1‐bromoadamantan is described.
ChemInform Abstract: Iron‐Catalyzed Cross‐Dehydrogenative Coupling Esterification of Unactive C(sp3)—H Bonds with Carboxylic Acids for the Synthesis of α‐Acyloxy Ethers.
Authors: Zhao Jincan , Fang Hong , Zhou Wei , Han Jianlin , Pan Yi
Published: September 2014

Intermolecular competing kinetic isotope effect experiments indicate, that C(sp3)—H bond cleavage may be the rate‐determining step of this cross dehydrogenative coupling reaction.
ChemInform Abstract: Synthesis of Thio‐heterocyclic Analogues from Baylis—Hillman Bromides as Potent Cyclooxygenase‐2 Inhibitors.
Authors: Santhoshi Amlipur , Mahendar Budde , Mattapally Saidulu , Sadhu Partha Sarathi , Banerjee Sanjay Kumar , Jayathirtha Rao Vaidya
Published: September 2014

20 Compounds of type (VI) are prepared and screened for their COX‐1 and COX‐2 inhibitory activities.
ChemInform Abstract: Silica‐acac‐Supported Palladium Nanoparticles as an Efficient and Reusable Heterogeneous Catalyst in the Suzuki—Miyaura Cross‐Coupling Reaction in Water.
Authors: Hajipour Abdol Reza , Shirdashtzade Zohre , Azizi Ghobad
Published: September 2014

The catalyst can be reused up to six times without significant loss of its catalytic activity.
ChemInform Abstract: Auto De‐Bromine‐Coupling Reactions of 1‐Aryl‐7‐bromocycloheptenes
Authors: Lee Gon‐Ann , Lee Hsin‐Yi , Wang Wen‐Chieh , Cherng Chih‐Hwa
Published: September 2014

scope and limitations
ChemInform Abstract: The Practical Preparation of Chiral N‐Sulfonyl Oxaziridines via Catalytic Asymmetric Payne Oxidation.
Authors: Tsutsumi Ryosuke , Kim Seonwoo , Uraguchi Daisuke , Ooi Takashi
Published: September 2014

Aromatic and aliphatic N‐sulfonyl imines are converted to N‐sulfonyl oxaziridines with excellent enantioselectivities.
ChemInform Abstract: A Facile and General Route to 3‐((Trifluoromethyl)thio)benzofurans and 3‐((Trifluoromethyl)thio)benzothiophenes
Authors: Sheng Jie , Fan Congbin , Wu Jie
Published: September 2014

via BiCl3‐promoted reaction of trifluoromethanesulfanylamide with 1‐methoxy‐2‐alkynylbenzenes (I) or related sulfanes (IV)
ChemInform Abstract: Concise Synthesis of 6‐Cyanobenzo[b]furan, a Useful Building Block.
Authors: Nguyen Son T. , Williams John D. , Majgier‐Baranowska Helena , Li Bing , Neelagiri Venugopal R. , Kim Hwa‐Ok , Peet Norton P.
Published: September 2014

The described synthesis starts from the commercially available furan‐3‐one derivative (I) which undergoes a reductive dehydration and conversion to a triflate derivative.
ChemInform Abstract: Pyrroles versus Cyclic Nitrones: Catalyst‐Controlled Divergent Cyclization of N‐(2‐Perfluoroalkyl‐3‐alkynyl) Hydroxylamines.
Authors: Zeng Qin , Zhang Li , Yang Jieru , Xu Bing , Xiao Yuanjing , Zhang Junliang
Published: September 2014

Novel divergent cyclizations of perfluoroalkylated and alkynyl‐substituted hydroxylamines are developed.
ChemInform Abstract: Mild Gold‐Catalyzed Three‐Component Dehydrogenative Coupling of Terminal Alkynes to Amines and Indole‐2‐carboxaldehyde
Authors: Li Jian , Wang Hongni , Sun Jiangtao , Yang Yang , Liu Li
Published: September 2014

leading to indoles (IV), (VI), and (VIII)
ChemInform Abstract: One‐Pot Conversion of 1‐Bromo‐β‐carboline and 1‐Bromocarbazole into Pentacyclic Compounds by Suzuki Cross‐Coupling Followed by Spontaneous Cyclization.
Authors: Gehring Andre P. , Tremmel Tim , Bracher Franz
Published: September 2014

The regioisomer of (VII), 3‐formylthiophene‐2‐boronic acid, fails to give defined products.
ChemInform Abstract: Silver(I)‐Promoted Intramolecular Addition of N‐Heterocyclic Carbenes Towards Unsaturated Esters in Water
Authors: Shang Xiaobo , Chen Chao , Qiu Huayu , Chen Wanzhi
Published: September 2014

[as a facile method for the synthesis of imidazo[1,2‐a]indole derivatives].
ChemInform Abstract: Recoverable Cu/SiO2 Composite‐Catalyzed Click Synthesis of 1,2,3‐Triazoles in Water Media.
Authors: Radatz Catia Schwartz , Soares Liliana do Amaral , Vieira Estefano Roberto , Alves Diego , Russowsky Dennis , Schneider Paulo Henrique
Published: September 2014

A green version of Huisgen reaction is developed.
ChemInform Abstract: Synthesis and Anticonvulsant Activity Evaluation of 7‐Alkoxy[1,2,4]triazolo[3,4‐b]benzothiazol‐3(2H)‐ones.
Authors: Liu Da‐Chuan , Deng Xian‐Qing , Wang Shi‐Ben , Quan Zhe‐Shan
Published: September 2014

Among the title compounds (III) (21 examples), derivatives (IIIa) and (IIIb) show the highest anticonvulsant activity.
ChemInform Abstract: A Rapid Approach for the Copper, Amine, and Ligand‐Free Sonogashira Coupling of 4‐Methyl‐7‐nonafluorobutylsulfonyloxy Coumarins under Microwave Irradiation.
Authors: Joy M. Nibin , Bodke Yadav D. , Abdul Khader K. K. , Sajith Ayyiliyath M.
Published: September 2014

The key for success of the coupling of nonaflate (I) with alkynes is the use of hydrated Bu4NF as mild base and as solvating agent to suppress the competitive nonaflate hydrolysis.
ChemInform Abstract: One‐Pot Four‐Component Approach for the Construction of Dihydropyridines and Dihydropyridinones Using Amines and Activated Alkynes.
Authors: Kiruthika Selvarangam E. , Perumal Paramasivan T.
Published: September 2014

This is the first report on the synthesis of dihydropyridines using dimethyl acetylenedicarboxylate, primary amines, and in situ generated Knoevenagel condensation products.
ChemInform Abstract: Rapid and Efficient Synthesis of 1,4‐Dihydropyridines Using a Sulfonic Acid‐Functionalized Ionic Liquid.
Authors: Nia Roghayeh Hossein , Mamaghani Manouchehr , Shirini Farhad , Tabatabaeian Khalil , Heidary Marzieh
Published: September 2014

Title compounds are prepared under neat conditions using a sulfonic acid‐functionalized ionic liquid as catalyst which can be easily recycled and reused several times without significant loss of activity.
ChemInform Abstract: One‐Pot Synthesis of Octahydroqinazolinones Derivatives Catalyzed by [C4(mim)2](FeCl4)2 under Solvent Free Conditions.
Authors: Godajdar Bijan Mombani , Soleimani Soghra
Published: September 2014

The dicationic liquid mentioned in the title is reported to be an efficient catalyst for the three component reaction of cyclohexa‐1,3‐diones (I), aromatic aldehydes (II), and urea or thiourea under solvent free conditions.
ChemInform Abstract: Four‐Component Strategy for Selective Synthesis of Azepino[5,4,3‐cd]indoles and Pyrazolo[3,4‐b]pyridines.
Authors: Jiang Bo , Ye Qin , Fan Wei , Wang Shu‐Liang , Tu Shu‐Jiang , Li Guigen
Published: September 2014

The chemoselectivity of the reaction is controlled by the electronic effects of arylglyoxals and aromatic amines.
ChemInform Abstract: Synthesis and Photochromism of Novel Unsymmetrical Diarylethenes with an Azaindole Unit.
Authors: Sun Zhiyuan , Li Hui , Pu Shouzhi , Liu Gang , Chen Bing
Published: September 2014

The synthesized unsymmetrical photochromic diarylethenes exhibit fluorescence in solution and in PMMA films.
ChemInform Abstract: 6,7‐seco‐ent‐Kaurane Diterpenoids from Isodon sculponeatus and Their Bioactivity.
Authors: Jiang Hua‐Yi , Wang Wei‐Guang , Zhou Min , Wu Hai‐Yan , Zhan Rui , Du Xue , Pu Jian‐Xin , Sun Han‐Dong
Published: September 2014

Sculponin T (I) is isolated from the aerial parts of Isodon sculpneatus along with four known analogs.
ChemInform Abstract: Grevillosides J—Q, Arbutin Derivatives from the Leaves of Grevillea robusta and Their Melanogenesis Inhibitory Activity.
Authors: Yamashita‐Higuchi Yukiko , Sugimoto Sachiko , Matsunami Katsuyoshi , Otsuka Hideaki , Nakai Takahito
Published: September 2014

New arbutin derivatives grevillosides J—Q (I), (II), are isolated along with eight known compunds from the leaves of Grevillea robusta.
ChemInform Abstract: Novel Syntheses of Aryl Quinoxaline C‐Nucleoside Analogues by Mild and Efficient Three‐Component Sequential Reactions
Authors: Zhang Fuyi , Xi Yuan , Lu Yanhui , Wang Liming , Liu Linwei , Li Jinliang , Zhao Yufen
Published: September 2014

34 examples
ChemInform Abstract: Stereoselective Total Synthesis of Cananginones (D—I) Using Ireland—Claisen Rearrangement as a Key Step.
Authors: Kuilya Tapan Kumar , Chatterjee Shamba , Goswami Rajib Kumar
Published: September 2014

A strategy for the stereoselective total synthesis of cananginones D‐G (Ia)—(Id) and H‐I (II) is developed using D‐mannitol as chiral template.
ChemInform Abstract: Total Synthesis of (‐)‐Bis‐8,8′‐catechinylmethane Isolated from Cocoa Liquor.
Authors: Pariollaud Marie , Cockrell Jennifer , Selenski Carolyn
Published: September 2014

The title compound exhibits antioxidant and radical‐scavenging activity.
ChemInform Abstract: Limonoids from Azadirachta indica var. siamensis Extracts and Their Cytotoxic and Melanogenesis‐Inhibitory Activities.
Authors: Akihisa Toshihiro , et al. et al.
Published: September 2014

Six new limonoids (structure examples (I), (II), and (III)) together with 28 known limonoids and two known flavanoids are isolated and evaluated for their cytotoxic activities.
ChemInform Abstract: Synthesis and Biological Evaluation of 20‐Hydroxytriptonide and Its Analogues.
Authors: Xu Hongtao , Tang Huanyu , Yang Zhuo , Feng Huijin , Li Yuanchao
Published: September 2014

The natural product 20‐hydroxytriptonide (Ia) and its analogues triptonide (Ib), triptolide (IIa) and 5‐hydroxytriptolide (IIb) are synthesized and evaluated toward their cytotoxic activity.
ChemInform Abstract: New Developments in Ceria‐Based Mixed Oxide Synthesis and Reactivity in Combustion and Oxidation Reactions
Authors: Reddy Benjaram M. , Kumar Thallada Vinod , Durgasri Naga
Published: September 2014

Review: 190 refs.
ChemInform Abstract: L10 FePtX‐Y Media for Heat‐Assisted Magnetic Recording
Authors: Weller Dieter , Mosendz Oleksandr , Parker Gregory , Pisana Simone , Santos Tiffany S.
Published: September 2014

Review: 152 refs.
ChemInform Abstract: Insulated π‐Conjugated Metallopolymers
Authors: Masai Hiroshi , Terao Jun , Tsuji Yasushi
Published: September 2014

Review: [39 refs.
ChemInform Abstract: Harnessing the Chemistry of Graphene Oxide
Authors: Dreyer Daniel R. , Todd Alexander D. , Bielawski Christopher W.
Published: September 2014

Review: 148 refs.
ChemInform Abstract: The btp [2,6‐Bis(1,2,3‐triazol‐4‐yl)pyridine] Binding Motif: A New Versatile Terdentate Ligand for Supramolecular and Coordination Chemistry
Authors: Byrne Joseph P. , Kitchen Jonathan A. , Gunnlaugsson Thorfinnur
Published: September 2014

Review: 164 refs.
ChemInform Abstract: Asymmetric Catalysis as a Method for the Synthesis of Chiral Organophosphorus Compounds
Authors: Kolodiazhnyi Oleg I. , Kukhar Valery P. , Kolodiazhna Anastasy O.
Published: September 2014

Review: [368 refs.
ChemInform Abstract: Metal/Zeolite Catalysts of Methane Dehydroaromatization
Authors: Mamonov N. A. , Fadeeva E. V. , Grigoriev D. A. , Mikhailov M. N. , Kustov L. M. , Alkhimov S. A.
Published: September 2014

Review: 139 refs.
ChemInform Abstract: Silica Functionalized Propyl Sulfonic Acid (SiO2‐Pr‐SO3H): An Efficient Catalyst in Organic Reactions
Authors: Gholamzadeh Parisa , Mohammadi Ziarani Ghodsi , Lashgari Negar , Badiei Alireza , Asadiatouei Paria
Published: September 2014

Review: 175 refs.
ChemInform Abstract: Transitioning Organic Synthesis from Organic Solvents to Water. What′s Your E Factor?
Authors: Lipshutz Bruce H. , Ghorai Subir
Published: September 2014

Review: [82 refs.
ChemInform Abstract: Catalytic Functionalization of Tertiary Alcohols to Fully Substituted Carbon Centres
Authors: Chen Long , Yin Xiao‐Ping , Wang Cui‐Hong , Zhou Jian
Published: September 2014

Review: [56 refs.
ChemInform Abstract: Gold Approaches to Polycyclic Indole Alkaloids
Authors: Barbour P. Michael , Marholz Laura J. , Chang Le , Xu Wenqing , Wang Xiang
Published: September 2014

Review: [31 refs.
ChemInform Abstract: Synthesis and Transformations of Nitrogen Heterocycles in Ionic Liquids
Authors: Makhova N. N. , Pleshchev M. I. , Epishina M. A. , Kulikov A. S.
Published: September 2014

Review: 38 refs.
ChemInform Abstract: Recent Advances on Asymmetric Strecker Reactions
Authors: Cai Xiao‐Hua , Xie Bing
Published: September 2014

Review: 90 refs.
ChemInform Abstract: Six‐Membered Ring Systems: Diazines and Benzo Derivatives
Authors: Rinderspacher Alison
Published: September 2014

Review: data on syntheses, reactions and applications of pyridazines, pyrimidines, pyrzines, and their benzo‐fused derivatives published in 2012; 103 refs.
ChemInform Abstract: Transfer Reaction Studies with Spectrometers
Authors: Szilner S. , Corradi L. , Pollarolo G. , Fioretto E. , Stefanini A. M. , de Angelis G. , Valiente‐Dobon J. J. , Farnea E. , Lunardi S. , Mengoni D. , et al. et al.
Published: September 2014

Review: 22 refs.
ChemInform Abstract: Research Progress in Anisotropic Magnetoresistance
Authors: Zhao Chong‐Jun , Ding Lei , HuangFu Jia‐Shun , Zhang Jing‐Yan , Yu Guang‐Hua
Published: September 2014

Review: 95 refs.
ChemInform Abstract: Mesosilica Materials and Organic Pollutant Adsorption: Part A Removal from Air
Authors: Gibson L. T.
Published: September 2014

Review: application of mesoporous silica materials, primarily MCM‐41 and SBA‐15, for the removal of organic pollutants in the vapour phase; 58 refs.
ChemInform Abstract: Ionic Liquids for Energy, Materials, and Medicine
Authors: Smiglak M. , Pringle J. M. , Lu X. , Han L. , Zhang S. , Gao H. , MacFarlane D. R. , Rogers R. D.
Published: September 2014

Review: [258 refs.
ChemInform Abstract: Is it Impossible to Find the Universal Density Functional? Or Is it Just Well‐Hidden?
Authors: Ayers Paul W. , Parr Robert G.
Published: September 2014

Review: 46 refs.
ChemInform Abstract: Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects
Authors: Schirmer Birgitta , Grimme Stefan
Published: September 2014

Review: 54 refs.
ChemInform Abstract: Inverse Quantum Chemistry: Concepts and Strategies for Rational Compound Design
Authors: Weymuth Thomas , Reiher Markus
Published: September 2014

Review: 125 refs.
ChemInform Abstract: Measuring Dynamic and Kinetic Information in the Previously Inaccessible Supra‐τ(c) Window of Nanoseconds to Microseconds by Solution NMR Spectroscopy
Authors: Ban David , Sabo T. Michael , Griesinger Christian , Lee Donghan
Published: September 2014

Review: 202 refs.
From Antidiabetic to Antifungal: Discovery of Highly Potent Triazole–Thiazolidinedione Hybrids as Novel Antifungal Agents
Authors: Wu Shanchao , Zhang Yongqiang , He Xiaomeng , Che Xiaoying , Wang Shengzheng , Liu Yang , Jiang Yan , Liu Na , Dong Guoqiang , Yao Jianzhong , Miao Zhenyuan , Wang Yan , Zhang Wannian , Sheng Chunquan
Published: September 2014

In an attempt to discover a new generation of triazole antifungal agents, a series of triazole–thiazolidinedione hybrids were designed and synthesized by molecular hybridization of the antifungal agent fluconazole and rosiglitazone (an antidiabetic). Most of the target compounds showed good to excellent inhibitory activity against a variety of clinically important fungal pathogens. In particular, compounds (Z)‐5‐(2,4‐dichlorobenzylidene)‐3‐(2‐(2,4‐difluorophenyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl)thiazolidine‐2,4‐dione) (15 c), (Z)‐3‐(2‐(2,4‐difluorophenyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl)‐5‐(furan‐3‐ylmethylene)thiazolidine‐2,4‐dione (15 j), and (Z)‐3‐(2‐(2,4‐difluorophenyl)‐2‐hydroxy‐3‐(1H‐1,2,4‐triazol‐1‐yl)propyl)‐5‐(furan‐3‐ylmethylene)thiazolidine‐2,4‐dione (15 r) were highly active against Candida albicans, with MIC80 values in the range of 0.03–0.15 μM. Moreover, compounds 15 j and 15 r were found to be effective against four fluconazole‐resistant clinical isolates; these two compounds are particularly promising antifungal leads for further optimization. Molecular docking studies revealed that the hydrogen bonding interactions between thiazolidinedione and CYP51 from C. albicans are important for antifungal activity. This study also demonstrates the effectiveness of molecular hybridization in antifungal drug discovery.
Quinone‐Rich Poly(dopamine) Magnetic Nanoparticles for Biosensor Applications
Authors: Martín Miriam , González Orive Alejandro , Lorenzo‐Luis Pablo , Hernández Creus Alberto , González‐Mora José Luis , Salazar Pedro
Published: September 2014

Novel core‐shell quinone‐rich poly(dopamine)–magnetic nanoparticles (MNPs) were prepared by using an in situ polymerization method. Catechol groups were oxidized to quinone by using a thermal treatment. MNPs were characterized by using X‐ray diffraction, X‐ray photoelectron spectroscopy, atomic force microscopy, magnetic force microscopy, UV/Vis, Fourier‐transform infrared spectroscopy, and electrochemical techniques. The hybrid nanomaterial showed an average core diameter of 17 nm and a polymer‐film thickness of 2 nm. The core‐shell nanoparticles showed high reactivity and were used as solid supports for the covalent immobilization of glucose oxidase (Gox) through Schiff base formation and Michael addition. The amount of Gox immobilized onto the nanoparticle surface was almost twice that of the nonoxidized film. The resulting biofunctionalized MNPs were used to construct an amperometric biosensor for glucose. The enzyme biosensor has a sensitivity of 8.7 mA M−1 cm−2, a low limit of detection (0.02 mM), and high stability for 45 days. Finally, the biosensor was used to determine glucose in blood samples and was checked against a commercial glucometer.
Oxygen‐Plasma‐Functionalized Carbon Nanotubes as Supports for Platinum–Ruthenium Catalysts Applied in Electrochemical Methanol Oxidation
Authors: Chetty Raghuram , Maniam Kranthi Kumar , Schuhmann Wolfgang , Muhler Martin
Published: September 2014

Multiwalled carbon nanotubes (CNTs) functionalized by oxygen plasma were used as a support for platinum–ruthenium nanoparticles for electrochemical methanol oxidation. The influence of plasma treatment time on the electrocatalytic activity was investigated by cyclic voltammetry, CO stripping voltammetry, and chronoamperometry. The electrocatalysts were characterized by Raman spectroscopy, X‐ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, and X‐ray diffraction. The results showed that oxygen plasma treatment led to the formation of CO and COO groups on the CNT surface. Platinum–ruthenium nanoparticles dispersed with an optimum plasma treatment time of 30 min exhibited the maximum catalytic activity towards methanol oxidation. The rationale for the high catalytic activity is discussed.
Effect of cesium chloride addition on crystal growth, structural, thermal and optical properties of γ‐glycine single crystal
Authors: Yogambal C. , Vizhi R. Ezhil , Babu D. Rajan
Published: September 2014

Single crystals of γ‐glycine in the presence of cesium chloride were grown from aqueous solution by low temperature solution growth technique. The phase purity and crystal structure of the grown crystals were confirmed by Powder X‐ray diffraction analysis. The presence of functional groups were confirmed by FT‐IR spectrum. Thermal analysis of the grown crystal was determined by thermogravimetric and differential thermal analysis (TG/DTA), which results the thermal stability of the grown crystal. The optical absorption and lower cut‐off values were ascertained by recorded UV‐Visible spectrum of γ‐glycine crystals. The existence of second harmonic generation efficiency of frequency doubling was found to be 6 times greater than that of KDP.
Network Measures for Chemical Library Design
Authors: Sukumar Nagamani , Krein Michael P. , Prabhu Ganesh , Bhattacharya Sudeepto , Sen Subhabrata
Published: September 2014

Preclinical Research

In this overview, we examine recent developments in network approaches to drug design. A brief overview of networks is followed by a discussion of how chemical similarity networks and their properties address challenges in drug design. Multiple methods used to assess or enhance chemical diversity for early‐stage drug discovery are discussed, as well as methods that can be used for drug repositioning and ligand polypharmacology.
Computational Approaches for Drug Discovery
Authors: Hung Che‐Lun , Chen Chi‐Chun
Published: September 2014

Preclinical Research

Cellular proteins are the mediators of multiple organism functions being involved in physiological mechanisms and disease. By discovering lead compounds that affect the function of target proteins, the target diseases or physiological mechanisms can be modulated. Based on knowledge of the ligand–receptor interaction, the chemical structures of leads can be modified to improve efficacy, selectivity and reduce side effects. One rational drug design technology, which enables drug discovery based on knowledge of target structures, functional properties and mechanisms, is computer‐aided drug design (CADD). The application of CADD can be cost‐effective using experiments to compare predicted and actual drug activity, the results from which can used iteratively to improve compound properties. The two major CADD‐based approaches are structure‐based drug design, where protein structures are required, and ligand‐based drug design, where ligand and ligand activities can be used to design compounds interacting with the protein structure. Approaches in structure‐based drug design include docking, de novo design, fragment‐based drug discovery and structure‐based pharmacophore modeling. Approaches in ligand‐based drug design include quantitative structure–affinity relationship and pharmacophore modeling based on ligand properties. Based on whether the structure of the receptor and its interaction with the ligand are known, different design strategies can be seed. After lead compounds are generated, the rule of five can be used to assess whether these have drug‐like properties. Several quality validation methods, such as cost function analysis, Fisher's cross‐validation analysis and goodness of hit test, can be used to estimate the metrics of different drug design strategies. To further improve CADD performance, multi‐computers and graphics processing units may be applied to reduce costs.
The benefits of using semi‐continuous and continuous models to analyze binge eating data: A Monte Carlo investigation
Authors: Grotzinger Andrew , Hildebrandt Tom , Yu Jessica
Published: September 2014

Objective

Change in binge eating is typically a primary outcome for interventions targeting individuals with eating pathology. A range of statistical models exist to handle these types of frequency distributions, but little empirical evidence exists to guide the appropriate choice of statistical model.

Method

Monte Carlo simulations were used to investigate the utility of semi‐continuous models relative to continuous models in various situations relevant to binge eating treatment studies.

Results

Semi‐continuous models yielded more accurate estimates of the population, while continuous models were higher powered when higher levels of missing data were present.

Discussion

The present findings generally support the use of semi‐continuous models applied to binge eating data, with total sample sizes of roughly 200 being adequately powered to detect moderate treatment effects. However, models with a significant amount of missing data yielded more favorable power estimates for continuous models. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:746–758)
A trait‐based trade‐off between growth and mortality: evidence from 15 tropical tree species using size‐specific relative growth rates
Authors: Philipson Christopher D. , Dent Daisy H. , O'Brien Michael J. , Chamagne Juliette , Dzulkifli Dzaeman , Nilus Reuben , Philips Sam , Reynolds Glen , Saner Philippe , Hector Andy
Published: September 2014

A life‐history trade‐off between low mortality in the dark and rapid growth in the light is one of the most widely accepted mechanisms underlying plant ecological strategies in tropical forests. Differences in plant functional traits are thought to underlie these distinct ecological strategies; however, very few studies have shown relationships between functional traits and demographic rates within a functional group. We present 8 years of growth and mortality data from saplings of 15 species of Dipterocarpaceae planted into logged‐over forest in Malaysian Borneo, and the relationships between these demographic rates and four key functional traits: wood density, specific leaf area (SLA), seed mass, and leaf C:N ratio. Species‐specific differences in growth rates were separated from seedling size effects by fitting nonlinear mixed‐effects models, to repeated measurements taken on individuals at multiple time points. Mortality data were analyzed using binary logistic regressions in a mixed‐effects models framework. Growth increased and mortality decreased with increasing light availability. Species differed in both their growth and mortality rates, yet there was little evidence for a statistical interaction between species and light for either response. There was a positive relationship between growth rate and the predicted probability of mortality regardless of light environment, suggesting that this relationship may be driven by a general trade‐off between traits that maximize growth and traits that minimize mortality, rather than through differential species responses to light. Our results indicate that wood density is an important trait that indicates both the ability of species to grow and resistance to mortality, but no other trait was correlated with either growth or mortality. Therefore, the growth mortality trade‐off among species of dipterocarp appears to be general in being independent of species crossovers in performance in different light environments.
Pakistan's Flood Challenges: An assessment through the lens of learning and adaptive governance
Authors: Mian Saima
Published: September 2014

Extreme events such as floods present major challenges for water governance in many parts of the world. Following two rounds of disastrous floods in 2010 and 2011, the need for a change in Pakistan's approach to dealing with floods has been highlighted in the literature. However, scant attention has been given to the nature of an alternative framework and the mechanism for driving a change towards it. This research aims to provide a better understanding of how Pakistan can cope with future flood challenges by examining the role of learning processes in facilitating a change towards an adaptive governance framework that is considered useful for dealing with complex issues in an uncertain environment. Key informant interviews and document analysis are used to examine characteristics of the current regime, analyse the influence of learning processes on flood governance dynamics, and identify barriers and bridges to change. Study findings show that state actors continue to dominate flood governance. However, the actor network in emergency flood management has broadened, with increasing participation by non‐state actors. Single‐loop learning, limited to routine improvements, is predominant among state actors in preventive management. A few state and non‐state actors in emergency management exhibit double‐loop learning reflected by their reframing of problems and incorporation of new information. However, in the absence of any triple‐loop learning associated with a paradigm change, the overall impact of learning processes in facilitating a transition towards more adaptive approaches to flood governance has been limited. Copyright © 2014 John Wiley & Sons, Ltd and ERP Environment
Synthesis of Indole‐Derived Allocolchicine Congeners through Pd‐Catalyzed Intramolecular C‐H Arylation Reaction
Authors: Sitnikov Nikolay S. , Kokisheva Antonina S. , Fukin Georgy K. , Neudörfl Jörg‐Martin , Sutorius Hannah , Prokop Aram , Fokin Valery V. , Schmalz Hans‐Günther , Fedorov Alexey Yu.
Published: September 2014

The synthesis of several new heterocyclic structural analogs of the natural antimitotic agent allocolchicine is reported. As a key step an intramolecular Pd‐catalyzed C–H arylation reaction was used to close the seven‐membered ring fused with two electron‐rich aryl fragments. The stereostructure of the target compounds was determined by X‐ray crystal analysis. The primary biological assessment of the synthesized compounds was carried out on human lymphoma cells. Several allocolchicinoids were determined to possess antiproliferative and apoptosis‐inducing activity in the micromolar concentration range.
A model to predict stream water temperature across the conterminous USA
Authors: Segura Catalina , Caldwell Peter , Sun Ge , McNulty Steve , Zhang Yang
Published: September 2014

Stream water temperature (ts) is a critical water quality parameter for aquatic ecosystems. However, ts records are sparse or nonexistent in many river systems. In this work, we present an empirical model to predict ts at the site scale across the USA. The model, derived using data from 171 reference sites selected from the Geospatial Attributes of Gages for Evaluating Streamflow database, describes the linear relationship between monthly mean air temperature (ta) and ts. Multiple linear regression models are used to predict the slope (m) and intercept (b) of the ta–ts linear relation as a function of climatic, hydrologic and land cover characteristics. Model performance to predict ts resulted in a mean Nash–Sutcliffe efficiency coefficient of 0.78 across all sites. Application of the model to predict ts at additional 89 nonreference sites with a higher human alteration yielded a mean Nash–Sutcliffe value of 0.45. We also analysed seasonal thermal sensitivity (m) and found strong hysteresis in the ta–ts relation. Drainage area exerts a strong control on m in all seasons, whereas the cooling effect of groundwater was only evident for the spring and fall seasons. However, groundwater contributions are negatively related to mean ts in all seasons. Finally, we found that elevation and mean basin slope are negatively related to mean ts in all seasons, indicating that steep basins tend to stay cooler because of shorter residence times to gain heat from their surroundings. This model can potentially be used to predict climate change impacts on ts across the USA. Copyright © 2014 John Wiley & Sons, Ltd.
Efficient Generation of Electricity from Methane using High Temperature Fuel Cells – Status, Challenges and Prospects
Authors: Manohar Aswin K. , Narayanan S. R.
Published: September 2014

High temperature fuel cells (HTFCs), comprising solid oxide fuel cells and molten carbonate fuel cells, present efficient means for generating electricity from methane and natural gas. The high quality heat generated by HTFCs allows operation in the combined heat and power mode (CHP) to further enhance efficiency. The overall fuel‐to‐electricity conversion efficiency of an HTFC system operating in CHP mode can approach up to 80 %. Despite the high operating efficiency of HTFCs, high capital costs and durability issues have hindered their widespread commercialization. This article provides an overview of the operating principles, technical challenges, commercialization status of HTFCs, and outlines the strategies being adopted to lower capital costs and increase durability.