bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: A Concise and Highly Enantioselective Total Synthesis of (+)‐anti‐ and (‐)‐syn‐Mefloquine Hydrochloride: Definitive Absolute Stereochemical Assignment of the Mefloquines.
Authors: Rastelli Ettore J. , Coltart Don M. 
Published: March 2016

AbstractA concise asymmetric (<99:1 e.r.) total synthesis of (+)‐anti‐ and (‐)‐syn‐mefloquine hydrochloride (I and II) from a common intermediate is described.
ChemInform Abstract: Synthesis of ortho‐(Fluoro)alkylated Pyridines via Visible Light‐Promoted Radical Isocyanide Insertion.
Authors: Tong Kun , Zheng Tianyi , Zhang Yan , Yu Shouyun 
Published: March 2016

AbstractThis regiospecific synthesis of highly functionalized pyridine derivatives proceeds via visible light‐promoted radical isocyanide insertions with Umemoto′s reagent (II) or (fluoro)alkyl bromides.
ChemInform Abstract: Synthesis and Characterization of New Thiourea and Urea Derivatives of 6‐Fluoro‐3‐(piperidin‐4‐yl)benzo[d] Isoxazole: In vitro Antimicrobial and Antioxidant Activity.
Authors: Sudhamani Hasti , Basha Sk Thaslim , Venkateswarlu Nagam , Vijaya Tartte , Raju Chamarthi Naga 
Published: March 2016

AbstractA novel class of the title thiourea and urea derivatives are synthesized and evaluated for their antimicrobial and antioxidant activities.
ChemInform Abstract: Iron(III) Phosphate as a Green and Reusable Catalyst for the Synthesis of 4,6‐Disubstituted 2‐Aminopyridine‐3‐carbonitriles
Authors: Zadpour Mahbobeh , Behbahani Farahnaz K. 
Published: March 2016

Abstractvia a simple four‐component reaction
ChemInform Abstract: Friedlaender Annulation: Scope and Limitations of Metal Salt Lewis Acid Catalysts in Selectivity Control for the Synthesis of Functionalized Quinolines.
Authors: Tanwar Babita , Kumar Dinesh , Kumar Asim , Ansari Md. Imam , Qadri Mohammad Mohsin , Vaja Maulikkumar D. , Singh Madhulika , Chakraborti Asit K. 
Published: March 2016

AbstractVarious functionalized quinolines are synthesized by condensation of 2‐aminobenzophenones (I) with β‐ketoesters, β‐diketones or ketones using In(OTf)3 as a very effective catalyst under solvent‐free conditions.
ChemInform Abstract: Facile Catalyst‐Free Synthesis of 2‐Vinylquinolines via a Direct Deamination Reaction Occurring During Mannich Synthesis.
Authors: Xiao Jichao , Huang Ye , Song Zilan , Feng Wenhua 
Published: March 2016

Abstract2‐Methylquinolines and the analogues react with formaldehyde in the presence of diethylamine and triethylamine in a catalytic amount to afford the target alkenes.
ChemInform Abstract: Chiral Phosphoric Acid Catalyzed Asymmetric Transfer Hydrogenation of Quinolines in a Sustainable Solvent.
Authors: More Ganesh V. , Bhanage Bhalchandra M. 
Published: March 2016

AbstractThe use of diethyl carbonate as a sustainable solvent for enantioselective transfer hydrogenation of 2‐substituted quinolines (I) using a phosphoric acid catalyst and Hantzsch ester as a hydrogen source is reported.
ChemInform Abstract: Breaking and Making of Rings: A Method for the Preparation of 4‐Quinolone‐3‐carboxylic Acid Amides and the Expensive Drug Ivacaftor.
Authors: Vasudevan N. , Jachak Gorakhnath R. , Reddy D. Srinivasa 
Published: March 2016

Abstract4‐Oxoquinoline‐3‐carboxamides are simply and conveniently obtained from 3‐indoleacetamides by one‐pot oxidative cleavage of the indole ring and subsequent condensation (Witkop—Winterfeldt oxidation).
ChemInform Abstract: One‐Step Direct Functionalization of Tetrahydroisoquinolines under Copper and Acid Catalysis.
Authors: Yi Fengping , Su Juchao , Zhang Songxing , Yi Weiyin , Zhang Lirong 
Published: March 2016

AbstractUnsubstituted tetrahydroisoquinoline (I) is treated with various benzaldehydes or cyclohexanealdehyde and indoles under conditions A) which include an optimized catalytic system consisting of 3 components.
ChemInform Abstract: Investigation of the Reaction of Dithiocarbamic Acid Salts with Trimethyl Orthoformate and Styrene Epoxide.
Authors: Ziyaei Halimehjani Azim , Hajilou Shayegan Mojtaba , Poshteh Shiva Shakori , Amani Vahid , Notash Behrouz , Hashemi Mohammad M. 
Published: March 2016

AbstractThe title reactions proceed in the presence of BF3·OEt2 to give 1,3‐dithietane or 1,3‐dithiolane derivatives in good yields.
ChemInform Abstract: SO3H‐Functionalized Mesoporous Silica Materials as Solid Acid Catalyst for Facile and Solvent‐Free Synthesis of 2H‐Indazolo[2,1‐b]phthalazine‐1,6,11‐trione Derivatives.
Authors: Amiri Ali Alinasab , Javanshir Shahrzad , Dolatkhah Zahra , Dekamin Mohammad G. 
Published: March 2016

AbstractTitle compounds (IV) are efficiently synthesized under mild and environmentally friendly conditions using an SO3H‐functionalized mesoporous nano‐scaled silica material as catalyst.
ChemInform Abstract: MCM‐41 Supported Perchloric Acid for Efficient Synthesis of 3,4‐Dihydropyrimidin‐2‐(1H)‐ones via Biginelli Reaction.
Authors: Khan Kulsum , Siddiqui Zeba N. 
Published: March 2016

AbstractThe catalyst can be reused up to five cycles without significant loss of activity.
ChemInform Abstract: An Ionic Liquid Catalyzed Reusable Protocol for One‐Pot Synthesis of 2,3‐Dihydroquinazolin‐4(1H)‐one under Mild Conditions.
Authors: Nagarajan S. , Shaikh Tanveer Mahamadali , Kandasamy Elango 
Published: March 2016

AbstractTitle compounds [(III) and (V)] are efficiently synthesized from anthranilamide (I) and aldehydes (II) or ketones (IV), resp., via ionic liquid catalyzed cyclization reaction.
ChemInform Abstract: Regioselective and Diastereoselective Iodocyclization Reaction of Alkene‐Thioureas: An Efficient Approach to Bicyclic β‐Lactams.
Authors: Garud Dinesh R. , Sonawane Amol D. , Auti Jyoti B. , Rode Navnath D. , Ranpise Vinod R. , Joshi Rohini R. , Joshi Ramesh A. 
Published: March 2016

Abstract3‐Thia‐1‐dethiazephams (II) are synthesized in high regio‐ and stereoselectivity via iodocyclization reaction of alkene‐thioureas (I).
ChemInform Abstract: Chemoselective Alkene Hydrosilylation Catalyzed by Nickel Pincer Complexes.
Authors: Buslov Ivan , Becouse Jeanne , Mazza Simona , Montandon‐Clerc Mickael , Hu Xile 
Published: March 2016

AbstractTerminal alkenes bearing amino, ester, amido, ketone, and formyl groups are selectively hydrosilylated using a bis(amino)amide nickel pincer complex affording the corresponding anti—Markovnikov products.
ChemInform Abstract: Stereospecific Pd‐Catalyzed Intermolecular C(sp3)‐C(sp) Cross‐Coupling of Diarylmethyl Carbonates and Terminal Alkynes under Base‐Free Conditions.
Authors: Tabuchi Sho , Hirano Koji , Miura Masahiro 
Published: March 2016

AbstractThe method can be extended to the conversion of enantioenriched diarylmethyl carbonates affording optically active cross‐coupling products with inversion of the configuration.
ChemInform Abstract: One‐Pot Benzo[b]phosphole Synthesis Through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha‐Friedel—Crafts Cyclization.
Authors: Wu Bin , Chopra Rena , Yoshikai Naohiko 
Published: March 2016

AbstractThe one‐pot multicomponent title reaction allows the synthesis of benzophospholes with various substituents on the P atom, the C‐2 and C‐3 atoms, and the benzo moiety.
ChemInform Abstract: A Greener Procedure for the Synthesis of α‐Ureidophosphonates under Ultrasound Irradiation. An X‐Ray Crystallographic Study.
Authors: Bouzina Abdeslem , Berredjem Malika , Bouacida Sofiane , Merazig Hocine , Aouf Nour‐eddine 
Published: March 2016

AbstractThe title synthesis is a one‐pot three‐component reaction of aldehydes, urea/thiourea, and triethylphosphite under solvent‐ and catalyst‐free conditions leading to the products in excellent yields within short reaction time.
ChemInform Abstract: Polycycloiridals A—D, Four Iridal‐Type Triterpenoids with an α‐Terpineol Moiety from Iris tectorum.
Authors: Yu De‐Quan , et al.  
Published: March 2016

AbstractThe novel iridals, polycycloiridals A—D, are isolated from the rhizomes of Iris tectorum.
ChemInform Abstract: Four New Flavonoids with α‐Glucosidase Inhibitory Activities from Morus alba var. tatarica.
Authors: Zhang Ya‐Long , Luo Jian‐Guang , Wan Chuan‐Xing , Zhou Zhong‐Bo , Kong Ling‐Yi 
Published: March 2016

AbstractAmong the four new flavonoids, mortatarins A—D, mortatarin D (IV) exhibits a significant degree of inhibition against the α‐glucosidase.
ChemInform Abstract: Imidazolium Ionic Liquids, Imidazolylidene Heterocyclic Carbenes, and Zeolitic Imidazolate Frameworks for CO2 Capture and Photochemical Reduction
Authors: Wang Sibo , Wang Xinchen 
Published: March 2016

AbstractReview: [recent developments and existing shortcomings of imidazolate motifs for CO2 utilization, with focus on CO2 photoreduction catalysis, 64 refs.
ChemInform Abstract: Chemistry of 4‐Oxo‐4H‐1‐benzopyran‐3‐carbonitrile
Authors: Ghosh Chandra Kanta , Chakraborty Amarnath 
Published: March 2016

AbstractReview: comprehensive survey of the synthesis and chemistry of the title nitrile covering the literature published during 2005‐2014; 70 refs.
ChemInform Abstract: Recent Trends in Chemistry of Ethylidenethiocarbonohydrazides
Authors: Riyadh Sayed M. , Gomha Sobhi M. , Mahmmoud Elmahdi A. 
Published: March 2016

AbstractReview: synthesis and reactions of ethylidenethiosemicarbazides during the period from 2004 to 2015; 28 refs.
ChemInform Abstract: Zinc, Lithium and Magnesium Carbenoids: Chemical Properties and Relevant Applications in Organic Synthesis
Authors: Nishimura Rodolfo H. V. , Murie Valter E. , Soldi Rafael A. , Lopes Joao L. C. , Clososki Giuliano C. 
Published: March 2016

AbstractReview: 97 refs.
Discovery of New E‐Selectin Inhibitors by Virtual Screening, Fluorescence Binding Assays, and STD NMR Experiments
Authors: Barra Pabla A. , Jiménez Verónica A. , Gavin José A. , Daranas Antonio H. , Alderete Joel B. 
Published: March 2016

AbstractE‐selectin is an endothelial protein that participates in the adhesion of metastatic cancer cells, and is therefore a relevant target for antitumor therapeutic intervention. In this work, virtual screening was used to identify new E‐selectin inhibitors from a subset of drug‐like molecules retrieved from the ZINC database, including the physiological ligand sLex as reference structure (PDB ID: 1G1T). Four hits were chosen and subjected to molecular dynamics simulations and fluorescence binding assays, which led to the determination of experimental dissociation constants between 333 and 1012 μm. The candidate with the highest affinity was studied by saturation transfer difference (STD) NMR experiments and complete relaxation and conformational exchange matrix analysis of saturation transfer (CORCEMA‐ST), aimed at identifying the preferable binding mode with E‐selectin. Our results revealed that this new inhibitor binds more strongly than sLex in the E‐selectin binding site, in good agreement with simulation predictions. These properties will prove valuable for the future design of drugs that target E‐selectin.
Whole‐exome sequencing of duodenal adenocarcinoma identifies recurrent Wnt/β‐catenin signaling pathway mutations
Authors: Yuan Wei , Zhang Zhou , Dai Binghua , Wei Qing , Liu Jinjin , Liu Yuzhen , Liu Yun , He Lin , Zhou Daizhan 
Published: March 2016

BACKGROUNDGenomic alterations of small bowel cancers remain poorly understood due to the rarity of these diseases. In the current study, the authors report the identification of somatic mutations from patients with duodenal adenocarcinoma by whole‐exome sequencing.METHODSWhole‐exome sequencing and follow‐up analysis were conducted in 12 matched tumor‐normal tissue duodenal adenocarcinoma tissue pairs to examine the genetic characteristics of this disease. Somatic mutations (single‐nucleotide variants and short insertion/deletions) were obtained and filtered and then searched for recurrently mutated genes and pathways.RESULTSAn excess of C‐to‐T transitions at the CpG dinucleotide was observed in the substitution of bases. The authors identified recurrent mutations in tumor protein p53 (TP53), KRAS, catenin (cadherin‐associated protein) β‐1 (CTNNB1), AT‐rich interactive domain 2 (ARID2), adenomatous polyposis coli (APC), erb‐b2 receptor tyrosine kinase 2 (ERBB2), ARID1A, cadherin‐related family member 1 (CDHR1), NRAS, Bcl‐2‐related ovarian killer (BOK), radial spoke head 14 homolog (chlamydomonas) (RTDR1), cell division cycle 27 (CDC27), catalytic subunit of phosphoinositide‐3‐kinase (PIK3CA), and SMAD family member 4 (SMAD4). Pathway scan indicated that the Wnt signaling pathway, regulation of the actin cytoskeleton pathway, ErbB signaling pathway, and the pathway of focal adhesion were the most extensively affected pathways.CONCLUSIONSThis genomic characterization of duodenal adenocarcinoma provides researchers with insight into its somatic landscape and highlights the vital role of the Wnt/β‐catenin signaling pathway. The study data also indicate that duodenal adenocarcinomas have a genetic resemblance to gastric and colorectal cancers. These discoveries may benefit the future development of molecular diagnosis and personalized therapies. Cancer 2016;122:1689‐96. © 2016 American Cancer Society.
Towards the integration of engagement and engineering‐level simulation over real‐time and heterogeneous systems
Authors: Xu Xiao , Li Ge , Yang Mei , Ju Rusheng , Huang Kedi 
Published: March 2016

SummaryIn the context of the joint simulation of engagement and engineering level for weapon system evaluation, engineering models provide precise performance data to support engagement models obtaining more reliable effectiveness results. This paper presents our practice in constructing a synthetic warship anti‐air weapon system simulation platform, which aims to integrate one digital system at engagement level and three hardware‐in‐the‐loop systems at engineering level. Interoperation and real‐time constraints satisfaction are two important issues that we concern. Our approach is to propose a three‐tier hierarchical integration architecture to organize different data flows according to their timing constraints. The architecture assigns each system a proxy to make them mutually compatible. The proxy also provides necessary services to support their joint simulation. Particularly, we adopt a GPS‐based approach to achieve the time synchronization. We also made evaluations on the architecture's performance as well as our integration work. Results show that the two‐level joint simulation could be effectively addressed under our proposed architecture. Copyright © 2016 John Wiley & Sons, Ltd.
On the Simple Complexity of Carbon Monoxide on Oxide Surfaces: Facet‐Specific Donation and Backdonation Effects Revealed on TiO2 Anatase Nanoparticles
Authors: Deiana Chiara , Fois Ettore , Martra Gianmario , Narbey Stéphanie , Pellegrino Francesco , Tabacchi Gloria 
Published: March 2016

AbstractAtomic‐scale relationships between the structure of TiO2 surfaces and the physicochemical properties of surface sites, functional for titania‐based applications, can be obtained from IR spectroscopy by using carbon monoxide (CO) as a molecular probe. In the literature, it is reported that strongly unsaturated cationic Ti sites (Lewis acid), which are important for reactivity, should cause a large upshift of the CO stretching frequency. By using IR spectroscopy of CO on TiO2 nanomaterials and theoretical analyses, here this model is challenged. It is shown that the stretching frequency of adsorbed CO results from a facet‐dependent and synergic CO–surface donation (upshift) ‐ surface–CO backdonation (downshift) mechanism. These results imply that the interaction of adsorbed molecules with the Ti centers is tuned by the surface oxygen atoms of the first coordination sphere, which play an active role as indirect electron density donors (Lewis base).
Two Six‐Connected MOFs with Distinct Architecture: Synthesis, Structure, Adsorption, and Magnetic Properties
Authors: Ren Guo‐Jian , Han Song‐De , Liu Yan‐Qing , Hu Tong‐Liang , Bu Xian‐He 
Published: March 2016

AbstractBy assembling CoII ions and a combination of 5‐(4‐pyridyl)tetrazole (4‐ptz) and formate ions, two distinct metal–organic frameworks, [Co3(4‐ptz)5(HCOO)(H2O)2] and [Co3(4‐ptz)4(dmf)2(HCOO)2 ] (dmf=N,N′‐dimethylformamide), were synthesized. They were both characterized by single‐crystal X‐ray diffraction, IR spectroscopy, thermogravimetric analysis, and powder X‐ray diffraction. Structural analyses revealed that by slightly modulating the coordination environment of the trinuclear cobalt cluster, two complexes were formed featuring unusual six‐connected nets reminiscent of a pyrazole‐type linear trinuclear cobalt cluster as compared with the classic eight‐connected bcu topology. In addition, [Co3(4‐ptz)5(HCOO)(H2O)2] interacted strongly with CO2, with an adsorption enthalpy of 29.2 kJ mol−1, and in a selectivity study, the uptake ratios of CO2/N2 (from a 15:85 mixture) and CO2/CH4 (50:50 mixture) were 77.6 and 37.7, respectively. Magnetic studies on both complexes revealed weak antiferromagnetic coupling between the CoII ions.
Panchromatic π‐Extended Porphyrins from Conjugation with Quinones
Authors: Banala Srinivas , Wurst Klaus , Kräutler Bernhard 
Published: March 2016

AbstractTypical porphyrins are coloured compounds due to their characteristic wavelength‐selective visible light absorptions. An exceptional “blackened” ZnII–porphyrin was recently obtained from fusing the β,β′‐positions of the porphyrin core with four quinone units. Here, studies with metal‐free and NiII‐containing analogues are reported. These quinone‐fused porphyrins were prepared from the corresponding β,β′‐tetrasulfolenoporphyrins via thermally generated porphyrindienes, which were trapped by [4+2] cycloaddition as benzoquinone cycloadducts, which were subsequently oxidised. By using this strategy, metal‐free and NiII‐containing porphyrins with one, two, three or four conjugated naphthoquinone moieties were prepared efficiently. The presence of the π‐conjugated naphthoquinone moieties changed the porphyrin chromophores profoundly, giving broadly absorbing “blackened” pigments. The influence of coordinated NiII ions, or of the absence of a metal ion in the modified porphyrin core, on their structural and spectroscopic properties was explored. Blackened quinone‐conjugated porphyrins might be pigments suitable for solar energy conversion. With their unique peripheral functional groups they are also a set of porphyrins “programmed” for further covalent extension. Thus, they are building blocks for the preparation of supra‐porphyrinoid assemblies that might be useful in optoelectronics and in the nanosciences.
Serotonin receptor 2C regulates neurite growth and is necessary for normal retinal processing of visual information
Authors: Trakhtenberg Ephraim F. , Pita‐Thomas Wolfgang , Fernandez Stephanie G. , Patel Karan H. , Venugopalan Praseeda , Shechter Jesse M. , Morkin Melina I. , Galvao Joana , Liu Xiongfei , Dombrowski Susan M. , Goldberg Jeffrey L. 
Published: March 2016

ABSTRACTSerotonin (5HT) is present in a subpopulation of amacrine cells, which form synapses with retinal ganglion cells (RGCs), but little is known about the physiological role of retinal serotonergic circuitry. We found that the 5HT receptor 2C (5HTR2C) is upregulated in RGCs after birth. Amacrine cells generate 5HT and about half of RGCs respond to 5HTR2C agonism with calcium elevation. We found that there are on average 83 5HT+ amacrine cells randomly distributed across the adult mouse retina, all negative for choline acetyltransferase and 90% positive for tyrosine hydroxylase. We also investigated whether 5HTR2C and 5HTR5A affect RGC neurite growth. We found that both suppress neurite growth, and that RGCs from the 5HTR2C knockout (KO) mice grow longer neurites. Furthermore, 5HTR2C is subject to post‐transcriptional editing, and we found that only the edited isoform's suppressive effect on neurite growth could be reversed by a 5HTR2C inverse agonist. Next, we investigated the physiological role of 5HTR2C in the retina, and found that 5HTR2C KO mice showed increased amplitude on pattern electroretinogram. Finally, RGC transcriptional profiling and pathways analysis suggested partial developmental compensation for 5HTR2C absence. Taken together, our findings demonstrate that 5HTR2C regulates neurite growth and RGC activity and is necessary for normal amplitude of RGC response to physiologic stimuli, and raise the hypothesis that these functions are modulated by a subset of 5HT+/ChAT‐/TH+ amacrine cells as part of retinal serotonergic circuitry. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 419–437, 2017
The Generation of a Library of ­Bromodomain‐Containing Protein Modulators Expedited by Continuous Flow Synthesis
Authors: Filipponi Paolo , Baxendale Ian R. 
Published: March 2016

AbstractA continuous flow process delivering key building blocks for a series of BCP modulator libraries is reported. A dynamically mixed flow reactor emerged as a pivotal technology in both synthesis and isolation phases enabling the processing of slurries and suspensions while maintaining high productivity and reliability. Accordingly, the synthesis of common intermediates in flow were employed to further build a pyridazone‐based library (36 compounds) aimed at improving lead compound potency and selectivity while further enabling structure‐activity relationship studies of a new BCP modulator family.
Core‐Scale Experimental and Numerical Investigation on Fluoroboric Acidizing of a Sandstone Reservoir
Authors: Zhou Xiang , Zhang Shicheng , Zhang Xiong , Wang Fei , Lin Hun 
Published: March 2016

AbstractThe acidizing of a sandstone matrix is an effective method to remove formation damage. Standard mud acid was the most commonly used fluid in the early days, however, the rapid decline in productivity after treatment promoted the development of numerous other fluid systems, and the fluoroboric acid system is one of the alternatives. In this work, experimental and numerical studies are conducted to investigate the performance of fluoroboric acid on sandstone. Firstly, the dissolution ability of fluoroboric acid and mud acid are tested at different temperatures. Then core flow tests are accomplished to further study the acidizing effect of fluoroboric acid and mud acid in porous media. Meanwhile, a core‐scale numerical model that considers the hydrolysis of fluoroboric acid and chemical reactions between HF and minerals is developed. The model was used to simulate core acid flooding by fluoroboric acid formulation and mud acid at different temperatures. Both the dissolution tests and core flow tests show that fluoroboric acid performs poorly at room temperature. However, if the temperature increases to 65 °C, the fluoroboric acid system has an equivalent dissolution ability to mud acid and the permeability enhancement by the fluoroboric acid system is 40 % higher than that of mud acid. The simulation results demonstrate that the trend of the core permeability change is consistent with the measured data. The model can provide the porosity and permeability distribution and the permeability profile along the flow direction, and this further explains the acidizing performance from a microscopic view. According to the simulation results, the permeability profile of the fluoroboric acid system is gentle at a higher temperature, which means moderate stimulation and deeper penetration. The simulation results demonstrate that mineral composition has a significant influence on the acidizing performance. With the same porosity, fast‐reacting minerals lead to a better acidizing performance. The model provides a reliable and effective method to optimize fluoroboric acidizing treatment.