bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Synthesis and Evaluation of 5‐Benzylidenethiazolidine‐2,4‐dione Derivatives for the Treatment of Nonalcoholic Fatty Liver Disease.
Authors: Ma Liang , Chen Jinying , Liang Xiaolin , Xie Caifei , Deng Chongyang , Huang Li , Peng Aihua , Wei Yuanquan , Chen Lijuan
Published: October 2012

A series of 5‐benzylidenethiazolidine‐2,4‐dione derivatives (III) are synthesized and evaluated for their potency on adipogenesis of 3T3‐L1 adipocytes.
ChemInform Abstract: A Tandem One‐Pot Aqueous Phase Synthesis of Thiazoles/Selenazoles.
Authors: Madhav B. , Murthy S. Narayana , Kumar B. S. P. Anil , Ramesh K. , Nageswar Y. V. D.
Published: October 2012

2,2‐Dibromo‐1‐arylethanones generated in situ from arylacetylenes and NBS react with thiourea or selenourea to give thiazoles and selenazoles, respectively.
ChemInform Abstract: Rhodium‐Catalyzed Cyclopropanations of 2‐Aryl‐2H‐chromenes with Dialkyl Malonate Esters. A Comparison of α‐Diazo Derivatives and Phenyliodonium Ylides.
Authors: Stokes Sean , Mustain Rachel , Pickle Lydia , Mead Keith T.
Published: October 2012

α‐Diazo derivatives (II) and iodonium ylides (VI) of dialkyl malonates follow complementary roles in the Pd‐catalyzed cyclopropanation of 2‐aryl‐2H‐chromenes to yield the corresponding cyclopropane diesters.
ChemInform Abstract: Pd(II)‐Catalyzed Asymmetric Wacker‐Type Cyclization for the Preparation of 2‐Vinylchroman Derivatives with Biphenyl Tetraoxazoline Ligands.
Authors: Liu Qingchuan , Wen Ke , Zhang Zhenfeng , Wu Zhengxing , Zhang Yong Jian , Zhang Wanbin
Published: October 2012

Although both the (E) and (Z) isomer of the substrate can be used, as is demontrated for the preparation of (IIa), it is more suitable to work with the isomeric mixtures.
ChemInform Abstract: Facile Domino Reactions in the Statistically Controlled Product‐ and Stereoselective Synthesis of Densely Functionalized cis‐1,4‐Cyclohexa‐1,4‐dienes and trans,trans‐Trisubstituted‐1,2,5,6‐tetrahydropyridines.
Authors: Harikrishnan Palani Sokkan , Rajesh Stephen Michael , Perumal Subbu
Published: October 2012

Depending on the educt ratio and the amount of NH4OAc used, the condensation of 3‐oxo‐4‐arylsulfonylbutanoates (I) with aromatic aldehydes yields densely functionalized cyclohexadienes (III) or pyridines (V).
ChemInform Abstract: Synthesis of 3‐Substituted 2‐Aminopyridines via Displacement of 3‐Fluoro‐2‐nitropyridine.
Authors: Culshaw Janet D. , Eden Jonathan M. , Ford Susannah J. , Hayter Barry , Perkins David R. , Pike Kurt G.
Published: October 2012

The fluorine in title compound (I) can be substituted by aliphatic amines or various nitrogen‐containing heterocycles.
ChemInform Abstract: Nucleophilic Difluoromethylation of C=N Bonds in Heterocycles with Difluoromethyl Silane Reagents.
Authors: Huang Weizhou , Ni Chuanfa , Zhao Yanchuan , Zhang Wei , Dilman Alexander D. , Hu Jinbo
Published: October 2012

A broad spectrum of heterocyclic substrates is successfully transformed to the fluorinated adducts.
ChemInform Abstract: Synthesis, Characterization and Antimicrobial Screening of Some Quinoline Based Dihydropyridine (V) and 2‐Oxo‐azetidine Derivatives (XI).
Authors: Desai N. C. , Harsora J. P.
Published: October 2012

Some of the heterocycles exhibit marked antibacterial and/or antifungal effects: compounds (Va), (Vf) and (XIa) reveal an excellent activity against E.
ChemInform Abstract: Generation of Diverse 1‐(Isoquinolin‐1‐yl)guanidines via a Sequential Multi‐Component/Cross‐Coupling Reaction.
Authors: Ye Chao , Chen Zhiyuan , Wang Huanhuan , Wu Jie
Published: October 2012

The multicomponent reactions produce target compounds of type (IV) and (IX).
ChemInform Abstract: An Unexpected Route Toward the Synthesis of Spirobenzo[b]acridine‐furan Derivatives.
Authors: Ghadari Rahim , Hajishaabanha Fatemeh , Mahyari Mojtaba , Shaabani Ahmad , Khavasi Hamid Reza
Published: October 2012

The reaction of diamine (I) with quinone (II) was expected to produce the tetracyclic diazepine system (IV) as precursor of the pentacyclic pyran skeleton (VIII).
ChemInform Abstract: New Heteroaromatic Bis‐peri‐Fused Azoxonium Cation.
Authors: Mezheritskii V. V. , Omelichkin N. I. , Minyaeva L. G. , Golyanskaya O. M. , Milov A. A.
Published: October 2012

Title compound (VII) is synthesized as perchlorate salt starting from dimethoxynaphthalene (I).
ChemInform Abstract: Iodocyclization of 6‐Allylamino‐4,5‐dihydropyrazolo[3,4‐d]pyrimidines.
Authors: Vas'kevich R. I. , Bentya A. V. , Turov A. V. , Rusanov E. B. , Staninets V. I. , Vovk M. V.
Published: October 2012

Treatment of title compounds (I) with iodine in the presence of potassium carbonate affords tricyclic compounds (III) having a linear structure.
ChemInform Abstract: Synthesis of Some Novel Functionalized Dihydropyrido[2,3‐d]pyrimidines via a One‐Pot Three‐Component Reaction Catalyzed by InCl3.
Authors: Naidu P. Seetham , Borah Pallabi , Bhuyan Pulak J.
Published: October 2012

The reaction of uracils, aryl halides and 3‐cyanoacetyl indole produces the pharmaceutically interesting title compounds (IV) and (VII).
ChemInform Abstract: Et3N‐Catalyzed Oxidative Dehydrogenative Coupling of α‐Unsubstituted Aldehydes and Ketones with Aryl Diamines Leading to Quinoxalines Using Molecular Oxygen as Oxidant.
Authors: Zhang Chun , Xu Zejun , Zhang Liangren , Jiao Ning
Published: October 2012

Oxidative coupling of carbonyl compounds is achieved with molecular oxygen to yield quinoxalines including the PDGFR tyrosine kinase inhibitor (IIIc).
ChemInform Abstract: Synthesis of New γ‐Lactones from Preactivated Monosubstituted Pyrazines and TMS‐Ketene Acetals.
Authors: Garduno‐Alva Azucena , Ortega‐Alfaro M. Carmen , Lopez‐Cortes Jose G. , Chavez Isabel , Barroso‐Flores Joaquin , Toscano Ruben A. , Rudler Henri , Alvarez‐Toledano Cecilio
Published: October 2012

In all cases it is possible to obtain the title compounds through a one‐pot reaction.
ChemInform Abstract: Lewis Base Organocatalyzed Enantioselective Hydrosilylation of 1,4‐Benzoxazines.
Authors: Jiang Yan , Liu Li‐Xin , Yuan Wei‐Cheng , Zhang Xiao‐Mei
Published: October 2012

The asymmetric reduction of benzoxazines with trichlorosilane gives the corresponding products (II) with mostly moderate enantioselectivity.
ChemInform Abstract: The Oxidative Acylnitroso Hetero‐Diels—Alder Reaction Catalyzed by Dirhodium Caprolactamate.
Authors: Tusun Xiarepati , Lu Chong‐Dao
Published: October 2012

Hydroxamic acid (II) is oxidized in situ to the acylnitroso derivative and subsequently trapping with a variety of dienes.
ChemInform Abstract: Synthesis, Antimicrobial, Insecticidal and Anthelmintic Activity Studies of Some New Alkyl/Aryl 6‐(4‐(4‐(4‐Methyl‐1H‐1,2,3‐triazol‐1‐yl)phenyl amino)phenyl)‐N2,N4‐bis (4‐methoxyphenyl)‐1,3,5‐triazin‐2,4‐diamine Carbamic Acid Ester Derivatives.
Authors: Gautam Nidhi , Chourasia O. P.
Published: October 2012

The title compounds (I) show promising antimicrobial, insecticidal and anthelmintic activities.
ChemInform Abstract: Enantioselective Rhodium‐Catalyzed Addition of Potassium Alkenyltrifluoroborates to Cyclic Imines.
Authors: Luo Yunfei , Carnell Andrew J. , Lam Hon Wai
Published: October 2012

For the first time, the highly enantioselective title reaction with the cyclic imines as effective substrates is described.
ChemInform Abstract: Synthesis and Electrophilic Cyclization Reactions of Diphenyl 3‐Methylhexa‐1,3,4‐trien‐3‐yl Phosphine Oxide.
Authors: Ivano Ivaylo K. , Christov Valerij Ch.
Published: October 2012

Electrophilic cyclization reactions of allene (III), which is obtained via 2,3‐sigmatropic rearrangement, are studied.
ChemInform Abstract: Efficient One‐Pot Synthesis of α‐Aminophosphonates from Aldehydes and Ketones Catalyzed by Ytterbium(III) Triflate.
Authors: Heo Yeon , Cho Dae Hyan , Mishra Mithilesh Kumar , Jang Doo Ok
Published: October 2012

The ytterbium triflate catalyzed three component reaction of carbonyl compounds (I) with hexamethyldisilazane and diethyl phosphite gives N‐silylated α‐aminophosphonates.
ChemInform Abstract: Rubesanolides C—E: Abietane Diterpenoids Isolated from Isodon rubescens and Evaluation of Their Antibiofilm Activity.
Authors: Zou Juan , Pan Lutai , Li Qiji , Pu Jianxin , Yao Ping , Zhu Min , Banas Jeffrey A. , Zhang Hongjie , Sun Handong
Published: October 2012

Rubesanolide D shows activity against biofilm formation by Streptococcus mutans (MIC 0.5 mg/l).
ChemInform Abstract: Iotrochamides A and B, Antitrypanosomal Compounds from the Australian Marine Sponge Iotrochota sp.
Authors: Feng Yunjiang , Davis Rohan A. , Sykes Melissa L. , Avery Vicky M. , Quinn Ronald J.
Published: October 2012

Bioassay‐guided isolation of the CH2Cl2/MeOH extract from the Australian sponge Iotrochota sp.
ChemInform Abstract: New CD1d Agonists: Synthesis and Biological Activity of 6′′‐Triazole‐Substituted α‐Galactosyl Ceramides.
Authors: Jervis Peter J. , Graham Lisa M. , Foster Erin L. , Cox Liam R. , Porcelli Steven A. , Besra Gurdyal S.
Published: October 2012

A series of 9 title compounds of type (III), (V), or (VII) is prepared and tested for the ability to stimulate the production of IL‐2.
ChemInform Abstract: Three New Naphthalenyl Glycosides from the Root Bark of Juglans cathayensis.
Authors: Sun Jia‐Xiang , Zhao Xiao‐Ya , Fu Xiao‐Fang , Yu Heng‐Yi , Li Xue , Li Shu‐Ming , Ruan Han‐Li
Published: October 2012

isolation, structural elucidation and cytotoxicities of three new naphthalenyl glycosides, jugnaphthalenoside A (Ia), B (II) and C (Ib)
ChemInform Abstract: Regioselective, Catalyst‐Free, One‐Step Synthesis of ABCD‐Fused Heterocyclic Ring System, Closely Related to Circumdatin Alkaloids.
Authors: Yaqub Muhammad , Perveen Ruqayia , Shafiq Zahid , Pervez Humayun , Tahir Muhammad Nawaz
Published: October 2012

A simple protocol is developed for the reaction of heterocyclic ketene aminals with 3‐formylchromones to give tetracyclic heterocycles.
ChemInform Abstract: Cristatumins A—D, New Indole Alkaloids from the Marine‐Derived Endophytic Fungus Eurotium cristatum EN‐220.
Authors: Du Feng‐Yu , Li Xiao‐Ming , Li Chun‐Shun , Shang Zhuo , Wang Bin‐Gui
Published: October 2012

Cristatumin A (I), B (II), C (III) and D (IV) are isolated together with 6 known compounds.
ChemInform Abstract: Cuspidans A and B, Two New Stilbenoids from the Bark of Gnetum cuspidatum.
Authors: Shimokawa Yoko , Hirasawa Yusuke , Kaneda Toshio , Hadi A. Hamid A. , Morita Hiroshi
Published: October 2012

Cuspidan A (I) shows no cytotoxicity and cuspidan B (II) displays moderate cell growth inhibitory activities against HL‐60 cells.
ChemInform Abstract: Design, Synthesis, and Antibacterial Activity of Novel Pleuromutilin Derivatives Bearing an Amino Thiazolyl Ring.
Authors: Wang Xinyang , et al. et al.
Published: October 2012

Title compounds (I) are synthesized starting from pleuromutilin and evaluated for their activities against Gram‐positive organisms.
ChemInform Abstract: Synthesis and Antimicrobial Evaluation of Novel Platensimycin Analogues.
Authors: Plesch Eva , Bracher Franz , Krauss Juergen
Published: October 2012

Highly simplified platensimycin analogues (I) are synthesized.
ChemInform Abstract: Recent Advances in Computational Actinoid Chemistry
Authors: Wang Dongqi , van Gunsteren Wilfred F. , Chai Zhifang
Published: October 2012

Review: 355 refs.
ChemInform Abstract: Strongly Correlated Materials
Authors: Morosan Emilia , Natelson Douglas , Nevidomskyy Andriy H. , Si Qimiao
Published: October 2012

Review: 208 refs.
ChemInform Abstract: The Synergistic Behavior of Polyoxometalates and Metal Nanoparticles: From Synthetic Approaches to Functional Nanohybrid Materials
Authors: Mitchell Scott G. , de la Fuente Jesus M.
Published: October 2012

Review: 82 refs.
ChemInform Abstract: Multinuclear Metalladithiolenes: Focusing on Electronic Communication in Mixed‐Valent States
Authors: Sakamoto Ryota , Tsukada Satoru , Nishihara Hiroshi
Published: October 2012

Review: 132 refs.
ChemInform Abstract: Development and Application of New Oxidation Systems Utilizing Oxometalate Catalysts
Authors: Hamamoto Hiromi
Published: October 2012

Review: 228 refs.
ChemInform Abstract: Homochirality and Its Significance for Biosphere and the Origin of Life Theory
Authors: Klabunovskii E. I.
Published: October 2012

Review: about 175 refs.
ChemInform Abstract: Domino Reactions in the Synthesis of Tetrahydropyrimidin‐2(1H)‐ones(thiones) Anellated at the N(1)—C(6) Bond
Authors: Fisyuk A. S.
Published: October 2012

Review: 57 refs.
ChemInform Abstract: Multicomponent Interphase Synthesis of Heterocyclic Compounds
Authors: Ivantsova M. N. , Tokareva M. I. , Mironov M. A.
Published: October 2012

Review: 85 refs.
ChemInform Abstract: ortho‐Quinone Methides in Natural Product Synthesis
Authors: Willis Nicky J. , Bray Christopher D.
Published: October 2012

Review: 61 refs.
ChemInform Abstract: C—H Activation: A Complementary Tool in the Total Synthesis of Complex Natural Products
Authors: Chen David Y.‐K. , Youn So Won
Published: October 2012

Review: ca. 380 refs.
ChemInform Abstract: Functionalization of Endohedral Metallofullerenes
Authors: Cardona Claudia M.
Published: October 2012

Review: 118 refs.
ChemInform Abstract: Synthesis, Separation, and Molecular Structures of Endohedral Fullerenes
Authors: Yang Shangfeng
Published: October 2012

Review: 122 refs.
ChemInform Abstract: Synthesis of Heterocycles via Gold Multifaceted Catalysis
Authors: Britton Joshua , Camp Jason E.
Published: October 2012

Review: 22 refs.
ChemInform Abstract: Experimental and Theoretical Studies on Chiral Heterogeneous Catalysts for Hydrogenation Reactions
Authors: Ruggera Jose F. , Merlo Andrea B. , Vetere Virginia , Casella Monica L.
Published: October 2012

Review: 119 refs.
ChemInform Abstract: Copper‐Catalyzed Enantioselective Allylic Substitution
Authors: Langlois Jean‐Baptiste , Alexakis Alexandre
Published: October 2012

Review: 126 refs.
ChemInform Abstract: Anion Receptors Containing Heterocyclic Rings
Authors: Gale Philip A. , Haynes Cally J. E.
Published: October 2012

Review: 79 refs.
ChemInform Abstract: Selenium and Tellurium (1,2,3)‐Oxygen‐Containing Acids and Derivatives
Authors: Drabowicz Jozef , Midura Wanda H. , Krasowska Dorota
Published: October 2012

Review: 217 refs.
ChemInform Abstract: Trends and Perspectives in Dynamic Combinatorial Chemistry
Authors: Otto Sijbren , Reek Joost N. H.
Published: October 2012

Review: 28 refs.
ChemInform Abstract: Development of Synthetic Receptors Using Dynamic Combinatorial Chemistry
Authors: Escalante Andrea M. , Furlan Ricardo L. E.
Published: October 2012

Review: 157 refs.
ChemInform Abstract: The Practice of Dynamic Combinatorial Libraries: Analytical Chemistry, Experimental Design, and Data Analysis
Authors: Otto Sijbren
Published: October 2012

Review: 32 refs.
ChemInform Abstract: History and Principles of Dynamic Combinatorial Chemistry
Authors: Beeren Sophie R. , Sanders Jeremy K. M.
Published: October 2012

Review: 52 refs.
ChemInform Abstract: Combined Enzyme and Transition Metal Catalysis for Dynamic Kinetic Resolutions
Authors: Marcos Rocio , Martin‐Matute Belen
Published: October 2012

Review: 142 refs.
ChemInform Abstract: Topological Effects in Nanomagnetism: From Superparamagnetism to Chiral Quantum Solitons
Authors: Braun Hans‐Benjamin
Published: October 2012

Review: 367 refs.
ChemInform Abstract: Chemical Biology of Natural Products on the Basis of Identification of Target Proteins
Authors: Ueda Minoru
Published: October 2012

Review: current status of natural products chemistry based on their target identification and future direction; 70 refs.
ChemInform Abstract: Chemical Constituents of Plant from the Genus Craniotome
Authors: Joshi Rajesh K.
Published: October 2012

Review: 11 refs.
ChemInform Abstract: Genetic, Biological and Structural Hierarchies During Sponge Spicule Formation: from Soft Sol—Gels to Solid 3D Silica Composite Structures
Authors: Wang Xiaohong , Schroeder Heinz C. , Wang Kui , Kaandorp Jaap A. , Mueller Werner E. G.
Published: October 2012

Review: 115 refs.
ChemInform Abstract: Novel Concepts for Organic Syntheses Based on Interfaces and Molecular Machines
Authors: Ishihara Shinsuke , Wakayama Yutaka , Hiroshiba Nobuya , Hill Jonathan P. , Ariga Katsuhiko
Published: October 2012

Review: 112 refs.
ChemInform Abstract: Enzymatic Fuel Cells
Authors: Kavanagh Paul , Leech Donal
Published: October 2012

Review: 172 refs.
ChemInform Abstract: Rethinking the Term “Pi‐Stacking”
Authors: Martinez Chelsea R. , Iverson Brent L.
Published: October 2012

Review: 129 refs.
ChemInform Abstract: First Principles Kinetic Modeling in Heterogeneous Catalysis: An Industrial Perspective on Best Practice, Gaps and Needs
Authors: Sabbe Maarten K. , Reyniers Marie‐Francoise , Reuter Karsten
Published: October 2012

Review: 154 refs.
ChemInform Abstract: Computational Insights into Palladium‐Mediated Allylic Substitution Reactions
Authors: Kleimark Jonathan , Norrby Per‐Ola
Published: October 2012

Review: 88 refs.
ChemInform Abstract: How to Select Active Space for Multiconfigurational Quantum Chemistry?
Authors: Veryazov Valera , Malmqvist Per Aake , Roos Bjoern O.
Published: October 2012

Review: 24 refs.
ChemInform Abstract: Applications of CASSCF
Authors: Larsson Sven
Published: October 2012

Review: 36 refs.
Number of Leads With Fragmented QRS Predicts Response to Cardiac Resynchronization Therapy
Authors: Celikyurt Umut , Agacdiken Aysen , Sahin Tayfun , Al Neslihan , Kozdag Guliz , Vural Ahmet , Ural Dilek
Published: October 2012

Background:

Cardiac resynchronization therapy (CRT) is an effective option in the treatment of patients with heart failure (HF) and wide QRS. Fragmented QRS (fQRS) on 12‐lead electrocardiography has been shown to predict cardiac events in several patient populations. However, the relationship between the number of leads with fQRS and response to CRT has not been investigated.

Hypothesis:

The number of leads with fQRS may predict response to CRT.

Methods:

One hundred five patients with HF undergoing CRT were prospectively studied. The presence of fQRS was assessed using standardized criteria. Echocardiographic response to CRT was defined by a ≥15% reduction in left ventricular end‐systolic volume at 6 months follow‐up.

Results:

Seventy‐four patients (71%) had CRT response after 6 months of follow‐up. In multivariate analysis, significant associates of response to CRT were evaluated adjusting for gender, etiology of cardiomyopathy, QRS width, baseline left ventricular ejection fraction, and the number of leads with fQRS. The number of leads with fQRS was the only predictor of response to CRT (odds ratio: 0.61, 95% confidence interval: 0.48‐0.77, P < 0.001).

Conclusions:

The more leads with fQRS predicts nonresponse to CRT and may help in the selection of CRT candidates. Clin. Cardiol. 2011 DOI: 10.1002/clc.22061

The authors have no funding, financial relationships, or conflicts of interest to disclose.
High‐performance implementation of planted motif problem on multicore and GPU
Authors: Dasari Naga Shailaja , Ranjan Desh , Zubair Mohammad
Published: October 2012

In this paper, we present an efficient, easily parallelizable approach to solve planted motif problem (PMP). PMP is a well‐studied problem in computational biology. It is useful in developing methods for finding transcription factor binding sites, classifying sequences, and building phylogenetic trees. Many approaches to solve PMP can be found in the literature. But the problem with those approaches is that they are difficult to parallelize as they have been designed for serial computers. In this paper, we propose a simple, easily parallelizable enumeration‐based approach called BitBased. As with most other enumeration‐based approaches that have been proposed to solve PMP, BitBased is also limited by memory for solving large‐sized problems. To overcome this limitation, we propose various modifications, which not only reduce the memory requirement but also improve the performance of the approach. We have implemented our approach on multicore and GPU devices. We found that BitBased outperforms all the approaches proposed to solve PMP so far. BitBased is able to solve the (21,8) instance, which was not previously reported as solved in the literature. Copyright © 2012 John Wiley & Sons, Ltd.
Coordinated learning by exploiting sparse interaction in multiagent systems
Authors: Yu Chao , Zhang Minjie , Ren Fenghui
Published: October 2012

Multiagent learning provides a promising paradigm to study how autonomous agents learn to achieve coordinated behavior in multiagent systems. In multiagent learning, the concurrency of multiple distributed learning processes makes the environment nonstationary for each individual learner. Developing an efficient learning approach to coordinate agents’ behavior in this dynamic environment is a difficult problem especially when agents do not know the domain structure and at the same time have only local observability of the environment. In this paper, a coordinated learning approach is proposed to enable agents to learn where and how to coordinate their behavior in loosely coupled multiagent systems where the sparse interactions of agents constrain coordination to some specific parts of the environment. In the proposed approach, an agent first collects statistical information to detect those states where coordination is most necessary by considering not only the potential contributions from all the domain states but also the direct causes of the miscoordination in a conflicting state. The agent then learns to coordinate its behavior with others through its local observability of the environment according to different scenarios of state transitions. To handle the uncertainties caused by agents’ local observability, an optimistic estimation mechanism is introduced to guide the learning process of the agents. Empirical studies show that the proposed approach can achieve a better performance by improving the average agent reward compared with an uncoordinated learning approach and by reducing the computational complexity significantly compared with a centralized learning approach. Copyright © 2012 John Wiley & Sons, Ltd.
Chlorine‐Enhanced Surface Mobility of Au(100)
Authors: Mesgar Mostafa , Kaghazchi Payam , Jacob Timo , Pichardo‐Pedrero Ernesto , Giesen Margret , Pichardo‐Pedrero Ernesto , Giesen Margret , Ibach Harald , Luque Noelia B. , Schmickler Wolfgang
Published: October 2012

Motivated by experimental studies of two‐dimensional Ostwald ripening on Au(100) electrodes in chlorine‐containing electrolytes, we have studied diffusion processes using density functional theory. We find that chlorine has a propensity to temporary form AuCl complexes, which diffuse significantly faster than gold adatoms. With and without chlorine, the lowest activation energy is found for the exchange mechanism. Chlorine furthermore reduces the activation energy for the detachment from kink sites. Kinetic Monte Carlo simulations were performed on the basis of extensive density functional theory calculations. The island‐decay rate obtained from these Monte Carlo simulations, as well as the decay rate obtained from the theoretical activation energies and frequency factors when inserted into analytical solutions for Ostwald ripening, are in agreement with experimental island‐decay rates in chlorine‐containing electrolytes.
In Situ Intercalating Expandable Graphite for Mesoporous Carbon/Graphite Nanosheet Composites as High‐Performance Supercapacitor Electrodes
Authors: Wang Lei , Mu Guang , Tian Chungui , Sun Li , Zhou Wei , Tan Taixing , Fu Honggang
Published: October 2012

Mesoporous‐carbon‐coated graphite nanosheet (GNS@MC) composites have been synthesized by the intercalation of resol prepolymer into the interlayers of expandable graphite (EG) under vacuum‐assisted conditions, followed by the exfoliation of EG through in situ polymerization, the growth of resol under hydrothermal conditions, and carbonization under Ar. The GNS@MC composites exhibit enhanced capacitive performance compared to mesoporous carbon (MC), microwaved EG after thermal treatment (T‐EG), and the physical mixture of MC and T‐EG (MC+T‐EG). In particular, the GNS@MC‐35‐800 composite carbonized at 800 °C, which has a graphite‐nanosheet content of 35 % and a Brunauer–Emmett–Teller surface area (SBET) of 432.3 m2 g−1, exhibits the highest capacitance of 203 F g−1 at 1 A g−1 in 6 M KOH electrolyte. Furthermore, the GNS@MC‐35‐800 composite exhibits a good cyclic stability with 95 % capacitance retention and a high columbic efficiency of 99 % after 5000 cycles. The energy density of the symmetric supercapacitor GNS@MC‐35‐800/GNS@MC‐35‐800 achieved was as high as 11.5 Wh kg−1 at a high power density of 10 kW kg−1. This good performance is attributable to the GNSs in the GNS@MC composite facilitating electron transport owing to its excellent conductivity; moreover, the MC in GNS@MC favors the rapid diffusion of ions by providing low‐resistance pathways. The GNS@MC composite may find application in high‐performance energy storage and conversion devices.
Yeast Genomics Technique for High‐Throughput Drug Target Discovery
Authors: Sun Zijun , Sun Yanyan , Zhou Yaxian , Wan Yakun
Published: October 2012

Preclinical Research

The budding yeast Saccharomyces cerevisiae has been a singularly useful eukaryote for the development of Chemical genomic techniques for use in drug discovery studies. Particularly, yeast genomic methodologies provide a solid foundation for high‐throughput drug target identification. The success of genomic profiling in budding yeast led to the use of chemical genomics approaches in higher eukaryotic systems. In the present overview, the focus was principally on high‐throughput chemical genomic technologies that are advancing the utility of yeast in the drug development research. This led to the review of chemical genomic technologies in other biological systems and the applications of drug synergy in pharmacological research. Finally, the development of genome‐wide drug screening was reviewed in the context of drug synergy strategies for discovering novel combinatorial therapies.
Ribonomic Approaches to Identify Protein–mRNA and microRNA–mRNA Interactions: Implications for Drug Design
Authors: Dziublenski Matthew , Roff Alanna N. , Ishmael Faoud T.
Published: October 2012

Preclinical Research

Posttranscriptional regulation of gene expression is now recognized to play a large role in physiological and pathological processes. Through interactions with messenger ribonucleic acid (mRNA), RNA‐binding proteins (RBPs) and microRNAs (miRNAs) can alter mRNA stability or translation. Aberrant function of these pathways may play a role in inflammatory diseases and cancer, making these attractive therapeutic targets. miRNAs and some RBPs, such as tristetraprolin (TTP), destabilize mRNA and may inhibit translation. Other RBPs, such as HuR, may increase mRNA stability to upregulate gene expression. Each RBP or a single miRNA has the potential to regulate multiple functionally related targets by binding to specific sequences or motifs on mRNA. Identification of these regulatory interactions has become a key step in understanding how gene expression is controlled and in designing drugs to target these interactions in disease. A number of ribonomic techniques have been developed to accurately identify RBP–mRNA and miRNA–mRNA binding interactions, including immunoprecipitation and affinity purification techniques combined with microarray technology and high‐throughput deoxyribonucleic acid (DNA) sequencing. Information gained from these approaches can be used to design agents that mimic or inhibit these regulatory interactions and thus represents a novel strategy for the treatment of disease.
Harnessing Omics Sciences, Population Databases, and Open Innovation Models for Theranostics‐Guided Drug Discovery and Development
Authors: Dove Edward S. , Özdemir Vural , Joly Yann
Published: October 2012

Preclinical Research

Omics science‐driven population databases and biobanks help in enabling robust, large‐scale, high‐throughput biomarker discovery and validation. As targeted drug therapies will require the development of companion diagnostic tests to identify patients most suitable for a given drug therapy, databases and biobanks represent one of the optimal and rapidly emerging ways to enable personalized medicine with reduced development timelines. Moreover, data‐intensive omics technologies represent a new dual reconfiguration of 21st‐century science whereby communitarian value‐driven “infrastructure science” and individual entrepreneurship‐driven “discovery science” now coexist. In the hope of overcoming the “transfer problem” in omics research that continues to hinder the full realization of concrete applications for human health, biobanks and databases are increasingly harnessing various open innovation models, such as open access, open source, expert sourcing, and patent pools. These models appear at various stages (drug repurposing, upstream, and downstream) of the research and development (R&D) process. While laudable, their inclusion will likely spur a variety of ethical, legal, and social issues (ELSI), including those revolving around consent, privacy, and property. By collectively anticipating and analyzing these issues, tensions among these innovation models and extant laws and policies regulating biomedical research and therapeutics based on the classical discovery science model can be resolved. This article does not posit which models will work best to achieve drug discovery and development breakthroughs, but rather, advocates for evidence‐based analyses that couple technical and economic data with global ELSI research to foster a more nuanced, contextualized, and thorough understanding of the new dual configuration of postgenomics pharmaceutical R&D.
Social novelty enhances brain cell proliferation, cell survival, and chirp production in an electric fish, Apteronotus leptorhynchus
Authors: Dunlap Kent D. , Chung Michael
Published: October 2012

For many animals, enriched environments and social interaction promote adult neurogenesis. However, in some cases, the effect is transient, and long‐term environmental stimuli have little benefit for neurogenesis. In electric fish, Apteronotus leptorhynchus, fish housed in pairs for 7 days show higher density of newborn brain cells (cell addition) than isolated fish, but fish paired for 14 days have rates of cell addition similar to isolated controls. We examined whether introduction of social novelty can sustain elevated levels of cell addition and prevent long‐term habituation to social interaction. We also monitored electrocommunication signals (“chirps”) as a measure of the behavioral response to social novelty. We paired fish for 14 days with one continuous partner (no social novelty), two sequential partners changed after 7 days (low novelty) or seven sequential partners changed every 2 days (high novelty). On Day 11, we injected fish with BrdU, sacrificed fish 3 days later and quantified BrdU labeling in the diencephalic periventricular zone. Fish exposed to no novelty had BrdU labeling similar to isolated fish. Fish with low novelty showed small increases in BrdU labeling and those with high novelty had much greater BrdU labeling. Similarly, chirp rates were greater in fish with low novelty than with no novelty and greatest yet in fish with high novelty. By varying the timing of novelty relative to BrdU injection, we showed that social novelty promoted both proliferation and survival of newborn cells. These results indicated that brain cell proliferation and survival is influenced more by social change than simply the presence of social stimuli. © 2012 Wiley Periodicals, Inc. Develop Neurobiol, 2013
Synthesis and Stability Studies of α,α‐Difluoro Ester Phospholipids
Authors: Pedersen Palle J. , Andresen Thomas L. , Clausen Mads H.
Published: October 2012

The synthesis of two new α,α‐difluoro ester phospholipid conjugates is described and the stability of their liposomal formulations in three different aqueous buffers (pH 4.5, 7.5 and 8.5) has been investigated. The studies confirmed that α,α‐difluoro esters are much more prone to hydrolysis when positioned close to the hydrophilic head group of phospholipids than when the functionality is placed in the lipophilic part of the bilayer in liposomes. This observation lends further support to the concept of protecting hydrolysable functionalities by formulation as part of the membrane of liposomes.
CLN5 and CLN8 protein association with ceramide synthase: Biochemical and proteomic approaches
Authors: Haddad Saria El , Khoury Marwan , Daoud Mohammad , Kantar Rami , Harati Hayat , Mousallem Talal , Alzate Oscar , Meyer Brian , Boustany Rose‐Mary
Published: October 2012

Four patients with juvenile neuronal ceroid lipofuscinoses, a childhood neurodegenerative disorder that was previously described as CLN9 variant, are reclassified as CLN5 disease. CLN5‐deficient (CLN5−/−) fibroblasts demonstrate adhesion defects, increased growth, apoptosis, and decreased levels of ceramide, sphingomyelin, and glycosphingolipids. The CLN8 protein (CLN8p) corrects growth and apoptosis in CLN5−/− cells. Related proteins containing a Lag1 motif (CerS1/2/4/5/6) partially corrected these deficits, with CerS1, which is primarily expressed in brain, providing the best complementation, suggesting CLN5p activates CerS1 and may co‐immunoprecipitate with it. CLN8p complements CLN5‐deficient cells, consolidating the interrelationship of CLN5p/CLN8p, whose potential roles are explored as activators of (dihydro)ceramide synthases. Homozygosity mapping using microarray technology led to identification of CLN5 as the culprit gene in previously classified CLN9‐defective cases. Similar to CLN5−/−cells, ceramide synthase activity, C16/C18:0/C24:0/C24:1 ceramide species, measured by MS is decreased in CLN8−/− cells. Comparison of normal versus CLN5−/− cell CerS1‐bound proteins by immunoprecipitation, differential gel electrophoresis, and MS revealed absence of γ‐actin in CLN5−/− cells. The γ‐actin gene sequence is normal in CLN5−/− derived DNA. The γ‐actin‐bound proteins, vimentin and histones H2Afz/H3F3A/Hist1H4, were absent from the γ‐actin protein complex in CLN5−/− cells. The function of CLN5p may require vimentin and the histone proteins to bind γ‐actin. Defective binding could explain the CLN5−/− cellular phenotype. We explore the role of the CLN5/CLN8 proteins in ceramide species specific sphingolipid de novo synthesis, and suggest that CLN5/CLN8 proteins are more closely related than previously believed.
Abnormalities of the der(12)t(12;21) in ETV6‐RUNX1 acute lymphoblastic leukemia
Authors: Al‐Shehhi Halima , Konn Zoe J. , Schwab Claire J. , Erhorn Amy , Barber Kerry E. , Wright Sarah L. , Gabriel Alem S. , Harrison Christine J. , Moorman Anthony V.
Published: October 2012

ETV6‐RUNX1 fusion [t(12;21)(p13;q22)] occurs in 25% of childhood B‐cell precursor acute lymphoblastic leukemia (BCP‐ALL) and is associated with a favorable outcome. Additional abnormalities involving der(21)t(12;21) and nonrearranged chromosome 12 are well characterized but aberrations involving the der(12)t(12;21) have rarely been described. Herein, we describe two novel abnormalities affecting the der(12)t(12;21): a deletion (20/247, 8%) and duplication (10/247, 4%). All 30 patients were under 10 years of age, had a median white blood count of 12.4 × 109/L and 19.2 × 109/L, respectively, with a good outcome. Deletions of der(12)t(12;21) on both sides of the breakpoint were confirmed and mapped: centromeric (12p11.21‐12p13.2) and telomeric (21q22.12‐21q22.3). The size of these deletions extended from 0.4–13.4 to 0.8–2.5 Mb, respectively. The centromeric deletion encompassed the following genes: LRP6, BCL2L14, DUSP16, CREBL2, and CDKN1B. We postulate that this deletion occurs at the same time as the translocation because it was present in all ETV6–RUNX1‐positive cells. A second abnormality representing duplication of the reciprocal RUNX1–ETV6 fusion gene was a secondary event, which we hypothesize arose through mitotic recombination errors. This led to the formation of the following chromosome: der(12)(21qter→21q22.12::12p13.2‐12p12.3::12p12.3→12qter). Both abnormalities affect the reciprocal RUNX1–ETV6 fusion product which could either eliminate or amplify its expression and thus contribute to leukemogenesis. However, other consequences such as haploinsufficiency of tumor suppressor genes and amplification of oncogenes could also be driving forces behind these aberrations. In conclusion, this study has defined novel abnormalities in ETV6–RUNX1 BCP‐ALL, which implicate new genes involved in leukemogenesis. © 2012 Wiley Periodicals, Inc.
Music therapy in dementia: a narrative synthesis systematic review
Authors: McDermott Orii , Crellin Nadia , Ridder Hanne Mette , Orrell Martin
Published: October 2012

Objective

Recent reviews on music therapy for people with dementia have been limited to attempting to evaluate whether it is effective, but there is a need for a critical assessment of the literature to provide insight into the possible mechanisms of actions of music therapy. This systematic review uses a narrative synthesis format to determine evidence for effectiveness and provide insight into a model of action.

Method

The narrative synthesis framework consists of four elements: (i) theory development; (ii) preliminary synthesis of findings; (iii) exploration of relationships between studies; and (iv) assessment of the robustness of the synthesis.

Results

Electronic and hand searches identified 263 potentially relevant studies. Eighteen studies met the full inclusion criteria. Three distinctive strands of investigations emerged: eight studies explored behavioural and psychological aspects, five studies investigated hormonal and physiological changes, and five studies focused on social and relational aspects of music therapy. The musical interventions in the studies were diverse, but singing featured as an important medium for change.

Conclusions

Evidence for short‐term improvement in mood and reduction in behavioural disturbance was consistent, but there were no high‐quality longitudinal studies that demonstrated long‐term benefits of music therapy. Future music therapy studies need to define a theoretical model, include better‐focused outcome measures, and discuss how the findings may improve the well‐being of people with dementia. Copyright © 2012 John Wiley & Sons, Ltd.
Contribution of mature hepatocytes to small hepatocyte-like progenitor cells in retrorsine-exposed rats with chimeric livers
Authors: Chen Ya-Hui , Chang Mei-Hwei , Chien Chin-Sung , Wu Shang-Hsin , Yu Chun-Hsien , Chen Hui-Ling
Published: October 2012

The potential lineage relationship between hepatic oval cells, small hepatocyte-like progenitor cells (SHPCs), and hepatocytes in liver regeneration is debated. To test whether mature hepatocytes can give rise to SHPCs, rats with dipeptidyl peptidase IV (DPPIV) chimeric livers, which harbored endogenous DPPIV-deficient hepatocytes and transplanted DPPIV-positive hepatocytes, were subjected to retrorsine treatment followed by partial hepatectomy (PH). DPPIV-positive hepatocytes comprised about half of the DPPIV chimeric liver mass. Tissues from DPPIV chimeric livers after retrorsine/PH treatment showed large numbers of SHPC clusters. None of the SHPC clusters were stained positive for DPPIV in any analyzed samples. Furthermore, serial sections stained for gamma-glutamyl-transpeptidase (GGT, a marker of fetal hepatoblasts) and glucose-6-phosphatase (G6Pase, a marker of mature hepatocytes) showed inverse expression of the two enzymes and a staining pattern consistent with a lineage that begins with GGT(+)/G6Pase(−) to GGT(−)/G6Pase(+) within a single SHPC cluster. Using double immunofluorescence staining for markers specific for hepatic oval cells and hepatocytes in serial sections, oval cell proliferations with CK-19(+)/laminin(+) and OV-6(+)/C/EBP-α(−) were shown to extend from periportal areas into the SPHC clusters, differentiating into hepatic lineage by progressive loss of CK-19/laminin expression and appearance of C/EBP-α expression towards the cluster side. Cells in the epithelial cell adhesion molecule (EpCAM(+)) SHPC clusters showed membranous EpCAM(+)/HNF-4α(+) (hepatocyte nuclear factor-4α) staining and were contiguous to the surrounding cytoplasmic EpCAM(+)/HNF-4α(−) ductular oval cells. Extensive elimination of oval cell response by repeated administration of 4,4′-methylenedianiline (DAPM) to retrorsine-exposed rats impaired the emergence of SHPC clusters.

Conclusion
: These findings highly suggest the hepatic oval cells but not mature hepatocytes as the origin of SHPC clusters in retrorsine-exposed rats. (Hepatology 2013)
Tumor progression locus 2/Cot is required for activation of extracellular regulated kinase in liver injury and toll-like receptor–induced TIMP-1 gene transcription in hepatic stellate cells in mice
Authors: Perugorria Maria J. , Murphy Lindsay B. , Fullard Nicola , Chakraborty Jayashree B. , Vyrla Dimitra , Wilson Caroline L. , Oakley Fiona , Mann Jelena , Mann Derek A.
Published: October 2012

Toll-like receptors (TLRs) function as key regulators of liver fibrosis and are able to modulate the fibrogenic actions of nonparenchymal liver cells. The fibrogenic signaling events downstream of TLRs on Kupffer cells (KCs) and hepatic stellate cells (HSCs) are poorly defined. Here, we describe the MAP3K tumor progression locus 2 (Tpl2) as being important for the activation of extracellular regulated kinase (ERK) signaling in KCs and HSCs responding to stimulation of TLR4 and TLR9. KCs lacking Tpl2 display defects with TLR induction of cytokines interleukin (IL)-1β, IL-10, and IL-23.

tpl2

−/−
HSCs were unable to increase expression of fibrogenic genes IL-1β and tissue inhibitor of metalloproteinase 1 (TIMP-1), with the latter being the result of defective stimulation of TIMP-1 promoter activity by TLRs. To determine the

in vivo

relevance of Tpl2 signaling in liver fibrosis, we compared the fibrogenic responses of wild-type (WT) and

tpl2

−/−
mice in three distinct models of chronic liver injury. In the carbon tetrachloride and methionine-choline–deficient diet models, we observed a significant reduction in fibrosis in mice lacking Tpl2, compared to WT controls. However, in the bile duct ligation model, there was no effect of

tpl2

deletion, which may reflect a lesser role for HSCs in wounding response to biliary injury.

Conclusion
: We conclude that Tpl2 is an important signal transducer for TLR activation of gene expression in KCs and HSCs by the ERK pathway and that suppression of its catalytic activity may be a route toward suppressing fibrosis caused by hepatocellular injuries. (Hepatology 2013)
Diastereoselective Coupling of N‐(tert‐Butyl)sulfinyl Imines and Dimethyl Malonate. Synthesis of Enantiomerically Enriched β‐Amino Esters and β‐Lactams
Authors: Dema Haythem K. , Foubelo Francisco , Yus Miguel
Published: October 2012

A diastereoselective coupling of dimethyl malonate with N‐(tert‐butyl)sulfinyl imines under solvent‐free conditions was developed, using NaHCO3 or NaI as base promoters. The resulting dimethyl 2‐(1‐aminoalkyl)malonates could be easily transformed successively to β‐amino esters and the corresponding β‐lactams with high optical purity.
Some Aspects of the Chemistry of Nitro Compounds
Authors: Zard Samir Z.
Published: October 2012

The present brief account relates our discovery of new reactions revolving around the chemistry of the NO2 group. It covers the condensation of MeNO2 with hindered ketones, and the synthesis of pyrroles, triazoles, and enamides. It also describes new transformations of allylic nitro compounds, such as their conversion to allylic sulfones and unsaturated lactones, their sigmatropic rearrangement into allylic nitrites and thence into allylic alcohols, as well as their use in a short synthesis of nitroestrone derivatives. This is followed by an unusual reduction method furnishing unsubstituted amines (RR′CNH) under conditions where these hydrolytically labile species can be captured inter‐ or intramolecularly. Finally, a mechanistic study of a strange alkyne‐forming reaction, first reported by Abidi and later shown by Corey and co‐workers to proceed through allylic nitro intermediates, ultimately led to a practical and powerful synthesis of alkynes starting from β‐keto esters.
Synthesis of Perfluoroalkyl‐Substituted γ‐Lactones and 4,5‐Dihydropyridazin‐3(2H)‐ones via DonorAcceptor Cyclopropanes
Authors: Gladow Daniel , Reissig Hans‐Ulrich
Published: October 2012

Rh2(OAc)4‐Catalyzed decomposition of diazo esters in the presence of perfluoroalkyl‐ or perfluoroaryl‐substituted silyl enol ethers smoothly provided the corresponding alkyl 2‐siloxycyclopropanecarboxylates in very good yields. The generated donoracceptor cyclopropanes are equivalents of γ‐oxo esters, which we demonstrated by their one‐pot transformations to yield fluorine‐containing heterocycles. A reductive procedure selectively afforded perfluoroalkyl‐substituted γ‐hydroxy esters or γ‐lactones. The treatment of the donoracceptor cyclopropanes with hydrazine or phenylhydrazine afforded a series of perfluoroalkyl‐ and perfluoroaryl‐substituted 4,5‐dihydropyridazin‐3(2H)‐ones.
Cross‐Linked‐Polymer‐Supported N‐{2′‐[(Arylsulfonyl)amino][1,1′‐binaphthalen]‐2‐yl}prolinamide as Organocatalyst for the Direct Aldol Intermolecular Reaction under Solvent‐Free Conditions
Authors: Bañón‐Caballero Abraham , Guillena Gabriela , Nájera Carmen
Published: October 2012

A bottom‐up strategy was used for the synthesis of cross‐linked copolymers containing the organocatalyst N‐{(1R)‐2′‐{[(4‐ethylphenyl)sulfonyl]amino}[1,1′‐binaphthalen]‐2‐yl}‐D‐prolinamide derived from 2 (Scheme 1). The polymer‐bound catalyst 5b containing 1% of divinylbenzene as cross‐linker showed higher catalyst activity in the aldol reaction between cyclohexanone and 4‐nitrobenzaldehyde than 5a and 5c. Remarkably, the reaction in the presence of 5b was carried out under solvent‐free, mild conditions, achieving up to 93% ee (Table 1). The polymer‐bound catalyst 5b was recovered by filtration and re‐used up to seven times without detrimental effects on the achieved diastereo‐ and enantioselectivities (Table 2). The catalytic procedure with polymer 5b was extended to the aldol reaction under solvent‐free conditions of other ketones, including functionalized ones, and different aromatic aldehydes (Table 3). In some cases, the addition of a small amount of H2O was required to give the best results (up to 95% ee). Under these reaction conditions, the cross‐aldol reaction between aldehydes proceeded in moderate yield and diastereo‐ and enantioselectivity (Scheme 2).
A Comparison of Density‐Functional Theory and HartreeFock Modeling of Organolithium Equilibria
Authors: Streitwieser Andrew , Leong Yew Hung
Published: October 2012

Experimental values for a number of organolithium equilibria in THF solution expressed as pK values are compared with computational results at several theory levels. Solvation effects are considered only by coordination of lithium with two THF molecules. Best results are obtained with the hybrid density‐functional method mPW1PW91, which gives satisfactory results over a range of almost 40 pK units, but explicit thermal corrections to 25° are required.
Intermolecular Reactions of γ‐Halocarbanions – Stepwise Analogs of 1,3‐Dipolar Cycloaddition
Authors: Barbasiewicz Michał , Mąkosza Mieczysław
Published: October 2012

γ‐Halocarbanions, short‐lived intermediates, add to electron‐deficient double bonds of aldehydes, Michael acceptors, and imines to form anionic adducts that enter intramolecular 1,5‐substitution to form five‐membered rings of tetrahydrofurans, cyclopentanes, and pyrrolidines, respectively. Although the γ‐halocarbanions can be generated by simple deprotonation of appropriate precursors, a wealth of other methods based on Lewis acid‐catalyzed opening of cyclopropanes with formation of dipolar species utilizes a similar mechanistic scheme. In our review, we analyze kinetic relations of elementary processes in the multistep transformations, and demonstrate how structural factors influence the mechanisms and selectivity of the reaction.