bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Ullmann Coupling Reaction of Nitro‐Substituted Aryl Halides with Phenols under Mild Conditions: Micro‐/Mesoporous Hierarchical LaAlPO‐5 Zeolite Catalyst.
Authors: Ke Qingping , Wu Mingzhou , Wang Chao , Lu Guanzhong
Published: August 2016

The rare‐earth‐doped mesoporous AlPO‐5 zeolites exhibit excellent catalytic performance in Ullmann coupling reactions of phenols with nitro aryl halides affording nitrophenyl ethers.
ChemInform Abstract: Silatrane as a Practical and Selective Reagent for the Reduction of Aryl Aldehydes to Benzylic Alcohols
Authors: Skrypai Vladislav , Hurley Joseph J. M. , Adler Marc J.
Published: August 2016

under mild and functional group compatible conditions without unwanted formation of ethers or deoxygenated products
ChemInform Abstract: Copper‐Catalyzed Enantioselective Stereodivergent Synthesis of Amino Alcohols.
Authors: Shi Shi‐Liang , Wong Zackary L. , Buchwald Stephen L.
Published: August 2016

A wide range of amino alcohols is constructed with high levels of chemo‐, regio‐, diastereo‐, and enantioselectivity by sequential copper‐hydride‐catalyzed hydrosilylation and hydroamination of readily available enals or enones.
ChemInform Abstract: Oxidative Cleavage of 1‐Aryl‐isochroman Derivatives Using the Trametes villosa Laccase/1‐Hydroxybenzotriazole System
Authors: Bernini Roberta , Crisante Fernanda , D'Acunzo Francesca , Gentili Patrizia , Ussia Emanuele
Published: August 2016

affording hydroxyethylbenzophenone derivatives under green chemistry conditions
ChemInform Abstract: The Rh(II)‐Catalyzed Formal N—S Bond Insertion Reaction of Aryldiazoacetates into N‐Phenyl‐sulfenyl Phthalimide.
Authors: Song Zhuang , Wu Yizhou , Xin Tao , Jin Chao , Wen Xiaoan , Sun Hongbin , Xu Qing‐Long
Published: August 2016

The reaction can be readily scaled up.
ChemInform Abstract: Synthesis and Characterizations of Arsine‐ and Stibine‐Ligated Schiff Base Palladacycles and Their Applications in Suzuki—Miyaura Cross‐Coupling Reactions.
Authors: Wang Haozhen , Yang Jin
Published: August 2016

Arsine and stibine complexes such as (PAS) and (PSB) efficiently catalyze Suzuki—Miyaura cross‐coupling reactions.
ChemInform Abstract: A Strategy Towards the Multigram Synthesis of Uncommon Hexaarylbenzenes.
Authors: Lungerich Dominik , Reger David , Hoelzel Helen , Riedel Rene , Martin Max M. J. C. , Hampel Frank , Jux Norbert
Published: August 2016

The strategy for the synthesis of hexaarylbenzenes avoids regioisomeric product distributions.
ChemInform Abstract: Sequential Sonogashira and Glaser Coupling Reactions: Facile Access to 1,4‐Disubstituted 1,3‐Butadiynes from Arylbromide.
Authors: Gong Yanfang , Liu Jianhui
Published: August 2016

1‐Aryl‐2‐trimethylsilylethynes, prepared in situ via Sonogashira coupling, undergo base promoted homocoupling to form 1,3‐butadiynes in moderate yields.
ChemInform Abstract: Molecular Iodine‐Catalyzed Tandem Synthesis of Oxospirotricyclic Furopyrimidines in Water.
Authors: Teimouri Mohammad Bagher , Akbari‐Moghaddam Peyman
Published: August 2016

A simple, efficient, and high yielding one‐pot procedure for the formation of the title compounds (III) is reported proceeding by an iodine‐catalyzed pseudo three‐component domino coupling of barbituric acids and various benzaldehydes in water.
ChemInform Abstract: A One Pot, Metal‐Free, Three‐Component Domino Sequence for the Synthesis of Furans: An Efficient C—O and C—N Bond Formation Approach.
Authors: Guo Pengfeng , Wang Changcheng , Chen Ya , Ou Caijun , Jiang Hangqi , Chen Weifeng , Chen Weixin , Cao Hua
Published: August 2016

The products are not obtained when aniline or piperidine is used as starting material.
ChemInform Abstract: Facile Synthesis of Substituted 3‐Aminofurans Through a Tandem Reaction of N‐Sulfonyl‐1,2,3‐triazoles with Propargyl Alcohols.
Authors: Cheng Xing , Yu Yinghua , Mao Zhifeng , Chen Jianxin , Huang Xueliang
Published: August 2016

The scalable reaction between 4‐aryl substituted N‐sulfonyl‐1,2,3‐triazoles and aryl, alkyl or non substituted propargyl alcohols provides 3‐aminofurans in high yields.
ChemInform Abstract: A Ring Closing Metathesis‐Manganese Dioxide Oxidation Sequence for the Synthesis of Substituted Pyrroles.
Authors: Keeley Aaron , McCauley Shane , Evans Paul
Published: August 2016

The one‐pot olefin or ene‐yne metathesis/oxidation sequence delivers N‐protected pyrrole or dipyrrole products.
ChemInform Abstract: Radical Perfluoroalkylation — Easy Access to 2‐Perfluoroalkylindol‐3‐imines via Electron Catalysis.
Authors: Leifert Dirk , Artiukhin Denis G. , Neugebauer Johannes , Galstyan Anzhela , Strassert Cristian Alejandro , Studer Armido
Published: August 2016

The reaction of aryl isonitriles (I) with Togni reagents (II) gives rise to 2‐(perfluoroalkyl)indol‐3‐imines (III), which are converted into oxindoles (VI) and (VIII) with fluorescent properties.
ChemInform Abstract: Iodine‐Catalyzed Oxidation of N‐Substituted Indoles by Using Chloramine‐B: A Facile and Practical Approach to Isatins.
Authors: Liu Peijun , Guo Jiajing , Wei Wentao , Liu Xiaozu , Sun Pinghua
Published: August 2016

A variety of the pharmaceutically interesting title compounds bearing different functionalities at the arene ring is readily prepared under mild conditions.
ChemInform Abstract: Synthesis of N,N‐Disubstituted 1‐Aryl‐1,3‐dihydro‐2H‐isoindole‐2‐carbothioamides.
Authors: Kobayashi Kazuhiro , Shigemura Yuuho , Tanmatsu Miyuki
Published: August 2016

The isothiocyanatomethyl derivatives cyclize on treatment with methanesulfonic acid.
ChemInform Abstract: Bifunctional Thiourea Catalyzed Asymmetric Michael Addition of Anthrone to Methyleneindolinones.
Authors: Zhao Huaili , Xiao Mingyan , Xu Lubin , Wang Liang , Xiao Jian
Published: August 2016

The regioselectivity and stereoselectivity of the synthesized hybrid derivatives of oxindoles and anthrone can be finely tuned by change of substituents in the starting methyleneindolinones.
ChemInform Abstract: Asymmetric Fluorination of 4‐Substituted Pyrazolones Catalyzed by Quinine.
Authors: Bao Xiaoze , Wei Shiqiang , Zou Liwei , Song Yuming , Qu Jingping , Wang Baomin
Published: August 2016

leading to 4‐fluorinated pyrazolones (II) and (IV) with moderate to good enantioselectivities
ChemInform Abstract: Copper(II)‐Catalyzed Oxidative Cross‐Coupling of Anilines, Primary Alkyl Amines, and Sodium Azide Using TBHP: A Route to 2‐Substituted Benzimidazoles.
Authors: Mahesh Devulapally , Sadhu Pradeep , Punniyamurthy Tharmalingam
Published: August 2016

The reaction has a broad substrate scope and succeeds using aliphatic as well as benzylic amines as the alkyl amine component, but fails using heterocyclic amines as the aniline component.
ChemInform Abstract: Reactivity of 2,1‐Benzisoxazole in Palladium‐Catalyzed Direct Arylation with Aryl Bromides.
Authors: Aidene Mohand , Belkessam Fatma , Soule Jean‐Francois , Doucet Henri
Published: August 2016

Arylations of benzisoxazole with a variety of (hetero)aryl bromides afford 3‐arylbenzoisoxazoles in moderate to high yields.
ChemInform Abstract: Synthesis of 5‐Fluoro‐ and 5‐Bromoalkylisoxazoles via Nitrosation of 1,1‐Dihalocyclopropanes with Sulfur Trioxide Activated Nitrosyl Chloride.
Authors: Bondarenko Oksana B. , Vinogradov Aleksandr A. , Komarov Arseniy I. , Smirnov Andrei S. , Zyk Nikolai V.
Published: August 2016

In the case of bromofluorocyclopropane the reaction proceeds with excellent chemoselectivity exclusively leading to 5‐fluoroisoxazoles.
ChemInform Abstract: A Practical Green Chemistry Approach to Synthesize Fused Bicyclic 4H‐Pyranes via an Amine Catalyzed 1,4‐Addition and Cyclization Cascade.
Authors: Li Jun‐Long , Li Qiang , Yang Kai‐Chuan , Li Yi , Zhou Liang , Han Bo , Peng Cheng , Gou Xiao‐Jun
Published: August 2016

Some compounds exhibit promising antibacterial activity.
ChemInform Abstract: A New and Efficient Synthesis of Pyrazole‐Fused Isocoumarins on the Solid Surface of Magnetically Separable Fe3O4@SiO2‐SO3H Nanoparticles.
Authors: Mukherjee Sayan , Kundu Ashis , Pramanik Animesh
Published: August 2016

A new procedure enables the synthesis of the title species through condensation of arylhydrazones and ninhydrin under solvent‐free conditions applying sulfonic acid functionalized silica‐coated magnetic nanoparticles.
ChemInform Abstract: Palladium‐Catalyzed Synthesis of Novel O‐Heterocycles by Domino Suzuki Coupling‐Michael Addition Reaction
Authors: Zhu Qihua , Nie Feng , Feng Jingjie , Li Yuyan , Wang Xuyan , Xu Yungen
Published: August 2016

of vinyl/aryl bromides with hydroxyphenylboronic acids
ChemInform Abstract: Regioselective Suzuki—Miyaura Reactions of the Bis(triflate) of 6,7‐Dihydroxy‐2,2‐dimethylchroman‐4‐one.
Authors: Pajtas David , Dihen Karoly , Konya Krisztina , Langer Peter
Published: August 2016

Depending on the stoichiometry, regioselective 6,7‐bisarylation or 7‐monoarylation is achieved.
ChemInform Abstract: Calix[n]arenes: Active Organocatalysts for the Synthesis of Densely Functionalized Piperidines by One‐Pot Multicomponent Procedure.
Authors: Palermo V. , Sathicq A. , Liberto N. , Fernandes S. , Langer P. , Jios J. , Romanelli G.
Published: August 2016

The reaction provides functionalized piperidines with high anti‐selectivity.
ChemInform Abstract: Straightforward Hantzsch Four‐ and Three‐Component Condensation in the Presence of Triphenyl(propyl‐3‐sulfonyl)phosphoniumtrifluoromethanesulfonate {[TPPSP]OTf} as a Reusable and Green Mild Ionic Liquid Catalyst.
Authors: Vahdat Seyed Mohammad , Zolfigol Mohammad Ali , Baghery Saeed
Published: August 2016

The title reactions provide quinoline and acridine derivatives, resp., in excellent yields and are advantageous with regards to mild conditions, operational simplicity, and short reaction times.
ChemInform Abstract: Carbon Nanotube—Ruthenium Hybrids for the Partial Reduction of 2‐Nitrochalcones: Easy Access to Quinoline N‐Oxides.
Authors: Basu Pallabita , Prakash Praveen , Gravel Edmond , Shah Nimesh , Bera Kalisankar , Doris Eric , Namboothiri Irishi N. N.
Published: August 2016

The nanotube hybrids promote the reduction of the nitro group and the following intramolecular condensation of the ‐NH2 to the carbonyl function.
ChemInform Abstract: An Alkyne Diboration/6π‐Electrocyclization Strategy for the Synthesis of Pyridine Boronic Acid Derivatives.
Authors: Mora‐Rado Helena , Bialy Laurent , Czechtizky Werngard , Mendez Maria , Harrity Joseph P. A.
Published: August 2016

The novel diboration/6π‐electrocyclization strategy enables rapid access to bicyclic pyridines, although the suitability of this method to access monocyclic heterocycles will likely require further method development.
ChemInform Abstract: Asymmetric Formal Aza‐Diels—Alder Reaction of Trifluoromethyl Hemiaminals with Enones Catalyzed by Primary Amines.
Authors: Zhang Sheng , Cha Lide , Li Lijun , Hu Yanbin , Li Yanan , Zha Zhenggen , Wang Zhiyong
Published: August 2016

The scalable highly efficient method offers a diastereo‐ and enantioselective access to various pharmaceutically active perfluoroalkylpiperidine scaffolds.
ChemInform Abstract: A High Performance Route for the Synthesis of Dihydropyrrolo[1,2‐f]phenanthridine Scaffolds by Using a One‐Pot Four‐Component Reaction.
Authors: Marandi Ghasem , Saghatforoush Lotfali , Kabiri Roya
Published: August 2016

Pyridine‐containing pyrrolophenanthridines are efficiently prepared by multicomponent condensation of pyridinecarbaldehydes, malononitrile, phenanthridine, and isocyanides.
ChemInform Abstract: Indium Trichloride (InCl3) Catalyzed Synthesis of Fused 7‐Azaindole Derivatives Using Domino Knoevenagel—Michael Reaction.
Authors: Dongare Sakharam B. , Chavan Hemant V. , Surwase Datta N. , Bhale Pravin S. , Mule Yoginath B. , Bandgar Babasaheb P.
Published: August 2016

followed by intramolecular cyclization starting from cyclic 1,3‐dicarbonyls, substituted aldehydes, and pyrrolecarbonitrile (II)
ChemInform Abstract: Stereoselective Solvent‐Free Synthesis of 4‐Hydroxy‐1,3‐thiazinane‐2‐thiones.
Authors: Nasiri Farough , Zolali Amin , Kadkhoda Jamileh
Published: August 2016

The title compounds are prepared by one‐pot three‐component reaction of primary amines, CS2, and α,β‐unsaturated aldehydes.
ChemInform Abstract: Studies on the Aza‐Claisen Rearrangement of 7‐ to 9‐Membered Vinylazacycles.
Authors: Jung Jong‐Wha , Suh Young‐Ger , Kim Seok‐Ho , Lee Won‐Il , Kim Seon‐Mi , Jung Jae‐Kyung , Jang Jaebong , Sim Jaehoon
Published: August 2016

The amide enolate‐induced aza‐Claisen rearrangement of the vinylazacycles furnishes 11‐ to 13‐membered macrolactams with an internal (E)‐olefinic bond, not accessible by conventional methods.
ChemInform Abstract: Astellifadiene: Structure Determination by NMR Spectroscopy and Crystalline Sponge Method, and Elucidation of Its Biosynthesis.
Authors: Matsuda Yudai , Mitsuhashi Takaaki , Lee Shoukou , Hoshino Manabu , Mori Takahiro , Okada Masahiro , Zhang Huiping , Hayashi Fumiaki , Fujita Makoto , Abe Ikuro
Published: August 2016

This rapid, nondestructive, and complete structure analysis of a minute quantity of oily title compound (I), the structure of which belongs to one of the most difficult classes of compounds for absolute structure determination, provides a particularly important example in natural product structure determination.
ChemInform Abstract: Reassignment of the Absolute Configuration of Plakinidone from the Sponge Consortium Plakortis halichondrioides—Xestospongia deweerdtae Using a Combination of Synthesis and a Chiroptical Approach.
Authors: Jimenez‐Romero Carlos , Rode Joanna E. , Rodriguez Abimael D.
Published: August 2016

The absolute configuration of plakinidone (I) is re‐assigned as (11S,17R) from the formerly reported (11S,17S) diastereomer.
ChemInform Abstract: Hydrothermally Synthesized CeO2 Nanowires for H2S Sensing at Room Temperature.
Authors: Li Zhijie , Niu Xinyue , Lin Zhijie , Wang Ningning , Shen Huahai , Liu Wei , Sun Kai , Fu Yong Qing , Wang Zhiguo
Published: August 2016

The title nanowires are hydrothermally synthesized from aqueous mixtures of Ce(NO3)3, urea, and NaOH (autoclave, 100 °C, 24 h).
ChemInform Abstract: Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2
Authors: Nolan Michael , Iwaszuk Anna , Lucid Aoife K. , Carey John J. , Fronzi Marco
Published: August 2016

Review: 119 refs.
ChemInform Abstract: Engineering Metallic Nanoparticles for Enhancing and Probing Catalytic Reactions
Authors: Collins Gillian , Holmes Justin D.
Published: August 2016

Review: [42 refs.
ChemInform Abstract: 2015 Paul N. Rylander Award Address: Selected Advances in Catalysis and Reactor Systems for the Generation of Acetates and Propionates Using Carbonylation
Authors: Zoeller Joseph R.
Published: August 2016

Review: [28 refs.
ChemInform Abstract: Multitarget Drugs: An Epigenetic Epiphany
Authors: Ganesan A.
Published: August 2016

Review: [71 refs.
ChemInform Abstract: Heterogeneous Palladium Catalysts for Suzuki—Miyaura Coupling Reactions Involving Aryl Diazonium Salts
Authors: Oger Nicolas , Felpin Francois‐Xavier
Published: August 2016

Review: [40 refs.
ChemInform Abstract: Multicomponent Syntheses of Fluorophores Initiated by Metal Catalysis
Authors: Levi Lucilla , Mueller Thomas J. J.
Published: August 2016

Review: [48 refs.
ChemInform Abstract: Chemical Derivatization of Sulfated Glycosaminoglycans
Authors: Bedini Emiliano , Laezza Antonio , Iadonisi Alfonso
Published: August 2016

Review: 220 refs.
ChemInform Abstract: Recent Progress in Asymmetric Synthesis and Application of Difunctionalized Silicon‐Stereogenic Silanes
Authors: Bauer Jonathan O. , Strohmann Carsten
Published: August 2016

Review: 174 refs.
ChemInform Abstract: Recent Advances in the Synthesis of Vinyl Sulfones
Authors: Fang Yuyu , Luo Zaigang , Xu Xuemei
Published: August 2016

Review: [72 refs.
ChemInform Abstract: Catalytic Enantioselective Desymmetrization Reactions to All‐Carbon Quaternary Stereocenters
Authors: Zeng Xing‐Ping , Cao Zhong‐Yan , Wang Yu‐Hui , Zhou Feng , Zhou Jian
Published: August 2016

Review: 237 refs.
ChemInform Abstract: Metallocalixarene Catalysts: α‐Olefin Polymerization and ROP of Cyclic Esters
Authors: Redshaw Carl
Published: August 2016

Review: 38 refs.
ChemInform Abstract: Organometallic Synthesis, Reactivity and Catalysis in the Solid State Using Well‐Defined Single‐Site Species
Authors: Pike Sebastian D. , Weller Andrew S.
Published: August 2016

Review: 113 refs.
ChemInform Abstract: Biomimetic Catalysis of Metal‐Organic Frameworks
Authors: Chen Yao , Ma Shengqian
Published: August 2016

Review: 52 refs.
ChemInform Abstract: Iridium‐Catalyzed Selective Isomerization of Primary Allylic Alcohols
Authors: Li Houhua , Mazet Clement
Published: August 2016

Review: 95 refs.
ChemInform Abstract: Mechanism of Rh‐Catalyzed Oxidative Cyclizations: Closed Versus Open Shell Pathways
Authors: Park Yoonsu , Ahn Seihwan , Kang Dahye , Baik Mu‐Hyun
Published: August 2016

Review: 42 refs.
ChemInform Abstract: Use of Bromine and Bromo‐Organic Compounds in Organic Synthesis
Authors: Saikia Indranirekha , Borah Arun Jyoti , Phukan Prodeep
Published: August 2016

Review: 2263 refs.
ChemInform Abstract: Trifluoromethyl Aldimines: An Overview in the Last Ten Years
Authors: Fioravanti Stefania
Published: August 2016

Review: [103 refs.
ChemInform Abstract: N‐Allenyl Amides and O‐Allenyl Ethers in Enantioselective Catalysis
Authors: Manoni Elisabetta , Bandini Marco
Published: August 2016

Review: [recent advances in the use of such activated π‐systems in metal‐mediated and metal‐free enantioselective transformations; 32 refs.
ChemInform Abstract: Octa‐1,7‐diene‐4,5‐diamine Derivatives: Useful Intermediates for the Stereoselective Synthesis of Nitrogen Heterocycles and Ligands for Asymmetric Catalysis
Authors: Gualandi Andrea , Grilli Stefano , Savoia Diego
Published: August 2016

Review: [65 refs.
ChemInform Abstract: Advantages of Catalysis in Self‐Assembled Molecular Capsules
Authors: Catti Lorenzo , Zhang Qi , Tiefenbacher Konrad
Published: August 2016

Review: [29 refs.
ChemInform Abstract: Review on Greener and Safer Synthesis of Nitro Compounds
Authors: Badgujar Dilip M. , Talawar Mahadev B. , Mahulikar Pramod P.
Published: August 2016

Review: 89 refs.
ChemInform Abstract: Opinion Paper: Dichloromethane (CH2Cl2) as Methylene Donor in Organic Synthesis
Authors: Liu Yunyun , Du Yi , Wei Li
Published: August 2016

Review: 10 refs.
ChemInform Abstract: Ligand‐Centered Oxidative Chemistry in Sterically Hindered Salen Complexes: An Interesting Case with Nickel
Authors: Thomas F.
Published: August 2016

Review: 72 refs.
ChemInform Abstract: Enzyme Mimics: Advances and Applications
Authors: Kuah Evelyn , Toh Seraphina , Yee Jessica , Ma Qian , Gao Zhiqiang
Published: August 2016

Review: 301 refs.
ChemInform Abstract: Synthesis of Aromatic Cytokinins for Plant Biotechnology
Authors: Plihalova Lucie , Vylicilova Hana , Dolezal Karel , Zahajska Lenka , Zatloukal Marek , Strnad Miroslav
Published: August 2016

Review: 141 refs.
ChemInform Abstract: Recent Developments in the Catalytic Hydrogenation of CO2 to Formic Acid/Formate Using Heterogeneous Catalysts
Authors: Gunasekar Gunniya Hariyanandam , Park Kwangho , Jung Kwang‐Deog , Yoon Sungho
Published: August 2016

Review: 97 refs.
ChemInform Abstract: Color‐Coded Batteries — Electro‐Photonic Inverse Opal Materials for Enhanced Electrochemical Energy Storage and Optically Encoded Diagnostics
Authors: O'Dwyer Colm
Published: August 2016

Review: 81 refs.
ChemInform Abstract: Biomedical Applications of DNA‐Conjugated Gold Nanoparticles
Authors: Wang Chun‐Chi , Wu Shou‐Mei , Li Hung‐Wen , Chang Huan‐Tsung
Published: August 2016

Review: 138 refs.
ChemInform Abstract: Heterogeneous Catalytic Conversion of Biobased Chemicals into Liquid Fuels in the Aqueous Phase
Authors: Wu Kejing , Wu Yulong , Chen Yu , Chen Hao , Wang Jianlong , Yang Mingde
Published: August 2016

Review: [143 refs.
ChemInform Abstract: Chemical Tools to Monitor and Manipulate Adaptive Immune Responses
Authors: Doran Todd M. , Sarkar Mohosin , Kodadek Thomas
Published: August 2016

Review: 132 refs.
ChemInform Abstract: Pyrrole, Imidazole, and Triazole Derivatives as Ion‐Pair Recognition Receptors
Authors: Alfonso Maria , Tarraga Alberto , Molina Pedro
Published: August 2016

Review: [32 refs.
ChemInform Abstract: Solar Disinfection and Lime Stabilization Processes for Reduction of Pathogenic Bacteria in Sewage Effluents and Biosolids for Agricultural Purposes in Yemen
Authors: Al‐Gheethi Adel A. S. , Ismail Norli , Efaq A. N. , Bala D. , Al‐Amery Ramzy M. A.
Published: August 2016

Review: 95 refs.
ChemInform Abstract: Research Progress in Electroanalytical Techniques for Determination of Antimalarial Drugs in Pharmaceutical and Biological Samples
Authors: Thapliyal Neeta , Chiwunze Tirivashe E. , Karpoormath Rajshekhar , Goyal Rajendra N. , Patel Harun , Cherukupalli Srinivasulu
Published: August 2016

Review: 145 refs.
Comprehensive CFD simulation of the optimizations of geometric structures and operating parameters for industrial acetylene hydrogenation reactors
Authors: Tian Liang , Hu Guihua , Du Wenli , Qian Feng
Published: August 2016

In this study, for the first time, comprehensive simulations of the industrial adiabatic and isothermal reactors utilized for the hydrogenation of acetylene were performed by computational fluid dynamics (CFD). The standard k–ϵ and Spalart‐Allmaras models were employed for describing the turbulence characteristics of the adiabatic and isothermal reactors, respectively. The porous medium model was applied to the flow of catalyst particles. The laminar finite‐rate model was employed for simulating the reaction in the reactor. The results obtained from simulations were in close agreement with those obtained from the industrial adiabatic reactor. Based on the validated CFD models, three operating conditions of the adiabatic reactor are simulated for comparing the selectivity of acetylene; as a result, H and T segmentation is utilized as an optimum process parameter. The different geometric structures of the adiabatic and isothermal reactors are simulated for obtaining the best diameter to length (D/L) ratio. The simulation results indicated an optimal D/L of 0.3852 for the adiabatic reactor, and the diameter‐to‐length ratio exerts a marginal effect on the reaction selectivity of isothermal reactors.
Random network modelling approach to investigate the single‐phase and quasi‐static immiscible two‐phase flow properties in the Mesaverde formation
Authors: Bashtani Farzad , Kryuchkov Sergey , Bryan Jonathan , Maini Brij , Kantzas Apostolos
Published: August 2016

Understanding the microscopic flow behaviour of hydrocarbons and water in porous media gains importance as more and more reservoirs are being exploited. Network modelling techniques could be extended to tighter media as long as Darcy's law is applicable. 3D random networks are constructed in order to represent the Mesaverde formation which is located in north Wyoming, USA. The network modelling software solves the fundamental equations of single‐phase and two‐phase immiscible flow incorporating wettability and contact angle assuming a quasi‐static displacement mechanism. Macroscopic properties of the porous media network representation such as porosity, absolute permeability, and formation factor are calculated and whenever possible compared to experimental data. Subsequently, immiscible two‐phase flow properties such as capillary pressure, relative permeability, and resistivity curves are predicted and compared to available experimental data. The effect of interfacial tension alteration is also investigated as an attempt to demonstrate the capability of the network modelling technique to show physical fluid behaviour. It is observed that the capillary pressure curve obtained using MICP data can be used to calibrate and validate the network model generated to represent the sample. The study shows that the modified random network modelling technique is capable of modelling low permeable porous medium and predicting single‐phase and immiscible two‐phase flow properties assuming quasi‐static displacement mechanism.
Kinetic modelling of cell growth, substrate utilization, and biosurfactant production from solid agrowaste (Beta vulgaris) by Bacillus licheniformis STK 01
Authors: Amodu Olusola S. , Ojumu Tunde V. , Ntwampe Seteno K. O.
Published: August 2016

The kinetics of cell growth, substrate utilization, and biosurfactant production by Bacillus licheniformis STK 01 from a solid agrowaste substrate (Beta vulgaris) and a refined substrate (mineral salts, MS) was investigated. Data obtained were fitted to the integrated Monod equation, logistic models, and Leudeking–Piret model using nonlinear regression analyses. The maximum cell growth was observed after 72 h of fermentation for both substrates. The highest biosurfactant production was 5.8 ± 0.5 g/L when the B. vulgaris waste substrate was used, while the production increased up to 9.78 ± 1.02 g/L when MS was used. The biosurfactant produced from B. vulgaris and MS lowered the surface tension of the broth to 30 and 23.5 mN/m respectively. Furthermore, from the kinetic data analyses, cell growth and B. vulgaris utilization were described by the logistic model and modified Monod equation, respectively, with the maximum cell growth rate of 0.026 h−1, cell yield of 0.617, and the Monod saturation constant being 0.418 g/L. Similarly, biosurfactant production was best described by the logistic model while the production rate constant was 0.140 h−1. This study is applicable, among other areas, in the design of biological systems augmented with B. vulgaris waste.
A Multi‐Element Mineral Conditioner: A Supplement of Essential Cations for Red Soil and Crops Growth
Authors: Chen Gongning , Shi Lin
Published: August 2016

A multi‐element mineral conditioner (MMC) is a kind of slightly alkaline soil conditioner prepared by calcining a mixture of calcium or magnesium‐based desulfurized flue gas residue, potassium feldspar, gypsum, dolomite, and limestone powder, rich in available K, Ca, Mg, Si, and other micronutrients. To evaluate the effect of MMC on the concentration of essential cations in red soil and in the crops grown thereon, a 4‐month field experiment was conducted. By applying the MMC, the acidity of the red soil caused by weathering and chronic acid rain in Southern China can be neutralized, and the essential cations severely lacking in red soil and crops can be adequately replenished. Due to the addition of essential cations to red soil, the 1:1 type clay mineral gradually transformed into 2:1 type clay mineral. The grain yield was increased and the quality of rice was improved. The concentrations of Pb, Cd, Hg, and As in rice grains grown in the treated soil was significantly decreased. These results demonstrate that use of MMC can ameliorate soil and improve its fertility, reduce the reliance of crops on chemical fertilizers, raise the rice yield and improve the quality of red soil.
Multiplex real‐time PCR detection and relative quantification of periodontal pathogens
Authors: Coffey Joshua , Choudhry Mydah , Shlossman Marc , Makin Inder Raj S. , Singh Vineet K.
Published: August 2016

Periodontitis is a chronic inflammatory disease, which is strongly associated with certain pathogenic bacteria. The aim of this study was to develop a real‐time multiplex polymerase chain reaction (PCR) assay to detect and quantify bacterial species associated with periodontitis. We targeted detection and relative quantification of the following five bacterial species relevant to periodontal diseases: Aggregatibacter actinomycetemcomitans, Fusobacterium nucleatum, Porphyromonas gingivalis, Treponema denticola, and Tannerella forsythia. The conserved regions of the genome of these species were targeted with oligos and TaqMan probes in real‐time PCR assays. The species‐specific TaqMan oligos and TaqMan probes showed no cross‐amplification, and there was no loss of amplification yield in multiplex real‐time PCR assays. All five bacterial targets were amplified analogous to the template concentrations used in these assays. This multiplex real‐time PCR strategy could potentially be used to detect the bacterial species in periodontal pockets of patients with periodontal diseases. This assay may also serve as a quick tool for profiling and quantifying bacteria relevant to periodontal diseases and likely be a valuable tool for clinical translational research.
Unprecedented Catalytic Wet Oxidation of Glucose to Succinic Acid Induced by the Addition of n‐Butylamine to a RuIII Catalyst
Authors: Podolean Iunia , Rizescu Cristina , Bala Camelia , Rotariu Lucian , Parvulescu Vasile I. , Coman Simona M. , Garcia Hermenegildo
Published: August 2016

A new pathway for the catalytic wet oxidation (CWO) of glucose is described. Employing a cationic Ru@MNP catalyst, succinic acid is obtained in unprecedently high yield (87.5 %) for a >99.9 % conversion of glucose, most probably through a free radical mechanism combined with catalytic didehydroxylation of vicinal diols and hydrogenation of the resulted unsaturated intermediate.
Ionic Liquid Induced Band Shift of Titanium Dioxide
Authors: Weber Henry , Kirchner Barbara
Published: August 2016

Ionic liquids (ILs) have become an established option for the use as electrolytes in dye‐sensitized solar cells. In the present study, the adsorption of a multitude of different ILs on a TiO2 surface is studied systematically, focusing on the energetic modifications of the semiconductor. The cation was found to generally cause an energetic downward shift of the TiO2 band levels by accepting electron density from the surface, and the anions were observed to function in the opposite direction, raising the energy levels by donating electron density. Both effects counterbalance each other, leaving the desired outcome dependent on the choice of the specific IL, i.e., the choice of the cation/anion combination. The correlation of the band levels with the properties of the IL was successfully achieved. The dipole moment of the adsorbed ionic liquid species showed little to no correlation with the semiconductor energetics, but the charge transfer calculated by radical Voronoi tessellation revealed a high correlation. The current findings contribute to a deeper understanding of the role of the electrolyte in dye‐sensitized solar cells, and ILs in general, and help with choosing and tuning of the electrolyte solutions in existing applications.
Oxytocin and behavior: Lessons from knockout mice
Authors: Caldwell Heather K. , Aulino Elizabeth A. , Freeman Angela R. , Miller Travis V. , Witchey Shannah K.
Published: August 2016

It is well established that the nonapeptide oxytocin (Oxt) is important for the neural modulation of behaviors in many mammalian species. Since its discovery in 1906 and synthesis in the early 1950s, elegant pharmacological work has helped identify specific neural substrates on which Oxt exerts its effects. More recently, mice with targeted genetic disruptions of the Oxt system—i.e., both the peptide and its receptor (the Oxtr)—have further defined Oxt's actions and laid some important scientific groundwork for studies in other species. In this article, we highlight the scientific contributions that various mouse knockouts of the Oxt system have made to our understanding of Oxt's modulation of behavior. We specifically focus on how the use of these mice has shed light on our understanding of social recognition memory, maternal behavior, aggression, and several nonsocial behaviors. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 190–201, 2017
State dependence, personality, and plants: light‐foraging decisions in Mimosa pudica (L.)
Authors: Simon Franz W. , Hodson Christina N. , Roitberg Bernard D.
Published: August 2016

Plants make foraging decisions that are dependent on ecological conditions, such as resource availability and distribution. Despite the field of plant behavioral ecology gaining momentum, ecologists still know little about what factors impact plant behavior, especially light‐foraging behavior. We made use of the behavioral reaction norm approach to investigate light foraging in a plant species that exhibits rapid movement: Mimosa pudica. We explored how herbivore avoidance behavior in M. pudica (which closes its leaflets temporarily when disturbed) is affected by an individual's energy state and the quality of the current environment and also repeatedly tested the behavior of individuals from two seed sources to determine whether individuals exhibit a “personality” (i.e., behavioral syndrome). We found that when individuals are in a low‐energy state, they adopt a riskier light‐foraging strategy, opening leaflets faster, and not closing leaflets as often in response to a disturbance. However, when plants are in a high‐energy state, they exhibit a plastic light‐foraging strategy dependent on environment quality. Although we found no evidence that individuals exhibit behavioral syndromes, we found that individuals from different seed sources consistently behave differently from each other. Our results suggest that plants are capable of making state‐dependent decisions and that plant decision making is complex, depending on the interplay between internal and external factors.
Kicking the tyres of a heart failure trial: physician response to the approval of sacubitril/valsartan in the USA
Authors: Packer Milton
Published: August 2016

Angiotensin receptor–neprilysin inhibition has been shown to be superior to target doses of an ACE inhibitor in reducing the risk of cardiovascular death and clinical disease progression in patients with chronic heart failure and a reduced EF. Nevertheless, although sacubitril/valsartan has been available in the USA for a year, uptake of the drug by practitioners has been slow, in part because of misconceptions about the pivotal trial that demonstrated its efficacy in heart failure (PARADIGM‐HF). This review addresses questions that have been raised in the USA about the design of the trial as well as the patients who were studied, the replicability and applicability of the results, and the safety of neprilysin inhibition. The totality of evidence indicates that the PARADIGM‐HF trial used an appropriate comparator; enrolled patients typical of those seen in the community with mild to moderate symptoms; yielded highly persuasive and replicable results; and demonstrated benefits that are applicable to patients taking subtarget doses of ACE inhibitors and ARBs. Regulatory review in the USA concluded that the established advantages of sacubitril/valsartan on cardiovascular death and disease progression outweighed hypothetical uncertainties about the long‐term effects of neprilysin inhibition in patients who might not have survived without the drug. Accordingly, both the new US and European Society of Cardiology heart failure guidelines recommend sacubitril/valsartan as the preferred approach to inhibiting the renin–angiotensin system in patients with chronic heart failure who are currently receiving an ACE inhibitor or ARB.
Increased Th2 activity and diminished skin barrier function cooperate in allergic skin inflammation
Authors: Sehra Sarita , Krishnamurthy Purna , Koh Byunghee , Zhou Hong‐Ming , Seymour Lee , Akhtar Nahid , Travers Jeffrey B. , Turner Matthew J. , Kaplan Mark H.
Published: August 2016

Atopic dermatitis (AD) is a chronic inflammatory skin disease induced by a complex interaction between susceptibility genes encoding skin barrier components and environmental allergen exposure that results in type 2 cytokine production. Although genetic lesions in either component can be risk factors for disease in patients, whether these pathways interact in the development of AD is not clear. To test this, we mated mice with T‐cell specific expression of constitutively active Stat6 (Stat6VT) that spontaneously develop allergic skin inflammation with Flaky tail (Ft) mice that have mutations in Flg and Tmem79 genes that each affect skin barrier function. Our results demonstrate that over 90% of the Stat6VT transgenic mice carrying the Ft alleles (Stat6VTxFt−/−) develop severe atopic dermatitis lesions by 3–5 months of age, compared with only 40% of Stat6VT mice that develop disease by 6–7 months of age. Further, histopathological analysis of skin tissues from Stat6VTxFt−/− mice revealed extensive thickening of the dermis with increased inflammatory infiltrates as compared with Stat6VT mice. Our study suggests that skin barrier defects and altered Th2 responses independently cooperate in the pathogenesis of allergic skin inflammation, similar to effects observed in patients with AD.
Implications of Guanidine Substitution on Copper Complexes as Entatic‐State Models
Authors: Hoffmann Alexander , Stanek Julia , Dicke Benjamin , Peters Laurens , Grimm‐Lebsanft Benjamin , Wetzel Alina , Jesser Anton , Bauer Matthias , Gnida Manuel , Meyer‐Klaucke Wolfram , Rübhausen Michael , Herres‐Pawlis Sonja
Published: August 2016

The guanidine–quinoline ligand dimethylethyleneguanidinoquinoline (DMEGqu) is able to stabilise bis(chelate) copper complexes in an intermediate geometry between tetrahedral and square‐planar environments. The structures of the obtained complexes model the entatic state and have been investigated in solid state by single‐crystal X‐ray diffraction and in the solid state and in solution by X‐ray absorption spectroscopy. The dimethylethyleneguanidine (DMEG) unit of the DMEGqu ligand displays a smaller steric encumbrance than the tetramethylguanidine (TMG) counterpart; this allows slightly larger structural changes upon oxidation than those for the TMG counterparts. Moreover, triflate coordination was possible for the CuII DMEG complexes. DFT analyses revealed that good structural and optical descriptions are possible through the use of the hybrid functionals B3LYP and TPSSh in combination with the triple‐zeta basis set def2‐TZVP and the inclusion of empirical dispersion with Becke–Johnson damping and a suitable solvent model. The orbital analysis gives insights into the electronic structure of the complexes and their charge‐transfer behaviour.
Tris(3,4‐dimethylenecyclobuteno)benzene Derivatives with Enhanced Carbon–Carbon Bond‐Length Alternation in Annelated Benzene
Authors: Hou Kaipeng , Wang Chenli , Zhou Yunfei , Abosede Ogunlana , Bao Xiaoguang
Published: August 2016

Computational analyses of the tris(3,4‐dimethylenecyclobuteno)benzene molecule indicate that the absence of the equivalent of a HOMO of an etheno group between the internal carbon atoms of the annelating butadieno groups is mainly responsible for the relatively weak cyclohexatriene‐like fixation in the central benzene ring. To increase the extent of C–C bond‐length alternation in the benzene moiety, two strategies of modification of the annelating groups are proposed to make the presence of the equivalent of a HOMO of an etheno group between the internal carbon atoms of the annelating butadieno groups. The first is to introduce a π‐electron‐donating heteroatom/group to form a five‐membered ring with the annelating butadieno groups (model I). The extent of bond‐length alternation could be tuned by the choice of the heteroatom/group in model I. The second is to coordinate with transition‐metal groups, such as the irontricarbonyl groups, for the annelating butadieno groups (model II). Computational results predict that molecules generated by using these two strategies could form strong cyclohexatriene‐like fixation of the double bonds in the central benzene ring.
Differential pre‐amplification of STR loci for fragmented forensic DNA profiling
Authors: Ham Seon‐Kyu , Kim Se‐Yong , Seo Bo Young , Woo Kwang‐Man , Lee Seung‐Hwan , Choi Cheol Yong
Published: August 2016

DNA profiling of short tandem repeats (STR) has been successfully used for the identification of individuals in forensic samples, accidents and natural disasters. However, STR profiling of DNA isolated from old crime scenes and damaged biological samples is difficult due to DNA degradation and fragmentation. Here, we show that pre‐amplification of STR loci using biotinylated primers for the STR loci is an efficient strategy to obtain STR profiling results from fragmented forensic samples. Analysis of STR loci with longer amplicon sizes is generally hampered, since these relatively long loci are vulnerable to DNA fragmentation. This problem was overcome by using reduced or increased primer concentrations for loci with shorter or longer amplicon sizes, respectively, in our pre‐amplification strategy. In addition, pre‐amplification of STR loci into two groups of short or long amplicon size increases the efficiency of STR profiling from highly fragmented forensic DNA samples. Therefore, differential pre‐amplification of STR loci is an effective way to obtain DNA profiling results from fragmented forensic samples.
Cardiac Risk and Disordered Eating: Decreased R Wave Amplitude in Women with Bulimia Nervosa and Women with Subclinical Binge/Purge Symptoms
Authors: Green Melinda , Rogers Jennifer , Nguyen Christine , Blasko Katherine , Martin Amanda , Hudson Dominique , Fernandez‐Kong Kristen , Kaza‐Amlak Zauditu , Thimmesch Brandon , Thorne Tyler
Published: August 2016

The purpose of the present study was threefold. First, we examined whether women with bulimia nervosa (n = 12) and women with subthreshold binge/purge symptoms (n = 20) showed decreased mean R wave amplitude, an indicator of cardiac risk, on electrocardiograph compared to asymptomatic women (n = 20). Second, we examined whether this marker was pervasive across experimental paradigms, including before and after sympathetic challenge tasks. Third, we investigated behavioural predictors of this marker, including binge frequency and purge frequency assessed by subtype (dietary restriction, excessive exercise, self‐induced vomiting, and laxative abuse). Results of a 3 (ED symptom status) × 5 (experimental condition) mixed factorial ANCOVA (covariates: body mass index, age) indicated women with bulimia nervosa and women with subclinical binge/purge symptoms demonstrated significantly reduced mean R wave amplitude compared to asymptomatic women; this effect was pervasive across experimental conditions. Multiple regression analyses showed binge and purge behaviours, most notably laxative abuse as a purge method, predicted decreased R wave amplitude across all experimental conditions. Copyright © 2016 John Wiley & Sons, Ltd and Eating Disorders Association.
What's in a Self‐report? A Comparison of Pregnant Women with Self‐reported and Hospital Diagnosed Eating Disorder
Authors: Larsen Pernille Stemann , Nybo Andersen Anne‐Marie , Olsen Else Marie , Micali Nadia , Strandberg‐Larsen Katrine
Published: August 2016

The aim of this study was to examine how similar pregnant women with self‐reported lifetime eating disorder (ED) were to pregnant women with a hospital diagnosis of ED. A total of 83 731 pregnant women enrolled in the Danish National Birth Cohort reported on ED, and by linkage to the Danish health registers, hospital diagnoses of ED were obtained. Characteristics of women with self‐reported ED, hospital diagnosed ED and without ED were compared using chi‐square tests, t‐test and logistic regression models with robust standard errors. In total, 4.8% women reported ED, and 0.5% had a hospital diagnosis of ED recorded in the health registers. Women with self‐reported ED were comparable with women with hospital diagnosed ED on most reproductive and health characteristics, while they differed from women without ED concerning all characteristics studied. Our findings highlight that women with self‐reported ED have impaired function and adverse health outcomes, consistent with diagnosable ED. Copyright © 2016 John Wiley & Sons, Ltd and Eating Disorders Association.
Hair Cortisol Concentrations in Adolescent Girls with Anorexia Nervosa are Lower Compared to Healthy and Psychiatric Controls
Authors: Föcker Manuel , Stalder Tobias , Kirschbaum Clemens , Albrecht Muriel , Adams Frederike , de Zwaan Martina , Hebebrand Johannes , Peters Triinu , Albayrak Özgür
Published: August 2016

Objective

In anorexia nervosa (AN) hypercortisolism has been described using urine, plasma and saliva samples as short‐term markers for the hypothalamic–pituitary–adrenal (HPA)‐axis. Here, for the first time, we analyse hair cortisol concentration (HCC) as a marker for long‐term integrated cortisol secretion in female patients with AN compared to female healthy controls (HC) and female psychiatric controls (PC).

Methods

HCC was assessed in 22 female adolescent psychiatric inpatients with AN compared to 20 female HC and to 117 female PC of the same age range. For further analyses we examined the associations of age and body mass index (BMI) with HCC.

Results

Log HCC was lower in AN‐patients compared to HC (p = 0.030). BMI‐standard deviation scores (SDS) but not age correlated with log HCC (BMI‐SDS: r = 0.19, bias corrected accelerated 95% confidence interval: [.04, .34], p = 0.015; age: r = 0.10, bias corrected accelerated 95% confidence interval: [−.07, .25], p = 0.213) when combining AN, HC and PC samples.

Discussion

We find lower HCC in AN, compared to HC and PC, respectively. Based on the relationship between HCC and BMI‐SDS across AN, HC and PC, we argue that HCC might not capture endocrine alterations because of AN pathology‐related processes but rather shows consistent relationships with BMI, which extent even to the very low range of BMI values, as present in AN patients. Alternatively, incorporation of cortisol into the hair follicle might have been compromised because of trophic hair follicle disturbances that had been reported in AN patients, previously. Copyright © 2016 John Wiley & Sons, Ltd and Eating Disorders Association.
Reducing the cost of carbon capture: an entrepreneur's perspective
Authors: Sharma Aniruddha , Bumb Prateek
Published: August 2016

Creating products and processes that protect the environment as well improve a business's bottom line has become the gold standard for modern industrial development. Balancing these two seemingly competing needs is something of a challenge in the field of carbon capture storage and use (CCSU). Operators of industrial facilities are looking for the cleanest, most cost‐effective way of removing their carbon dioxide emissions and if possible finding ways to make good use of this waste gas. GHGS&T talks with Aniruddha Sharma, Chief Executive Officer of Carbon Clean Solutions Ltd (CCSL), the company behind a ‘drop‐in’ molecule that is impacting the way industrial emitters of carbon dioxide think about the costs associated with carbon capture. We catch up with him while he's visiting London, UK.
Detecting default mode networks in utero by integrated 4D fMRI reconstruction and analysis
Authors: Seshamani Sharmishtaa , Blazejewska Anna I. , Mckown Susan , Caucutt Jason , Dighe Manjiri , Gatenby Christopher , Studholme Colin
Published: August 2016

Recently, there has been considerable interest, especially for in utero imaging, in the detection of functional connectivity in subjects whose motion cannot be controlled while in the MRI scanner. These cases require two advances over current studies: (1) multiecho acquisitions and (2) post processing and reconstruction that can deal with significant between slice motion during multislice protocols to allow for the ability to detect temporal correlations introduced by spatial scattering of slices into account. This article focuses on the estimation of a spatially and temporally regular time series from motion scattered slices of multiecho fMRI datasets using a full four‐dimensional (4D) iterative image reconstruction framework. The framework which includes quantitative MRI methods for artifact correction is evaluated using adult studies with and without motion to both refine parameter settings and evaluate the analysis pipeline. ICA analysis is then applied to the 4D image reconstruction of both adult and in utero fetal studies where resting state activity is perturbed by motion. Results indicate quantitative improvements in reconstruction quality when compared to the conventional 3D reconstruction approach (using simulated adult data) and demonstrate the ability to detect the default mode network in moving adults and fetuses with single‐subject and group analysis. Hum Brain Mapp 37:4158–4178, 2016. © 2016 Wiley Periodicals, Inc.