bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Stereoselective Synthesis of Arylglycine Derivatives via Palladium‐Catalyzed α‐Arylation of a Chiral Nickel(II) Glycinate.
Authors: Zhang Fan , Sun Hengzhi , Song Zhuang , Zhou Shuxi , Wen Xiaoan , Xu Qing‐Long , Sun Hongbin
Published: August 2015

Structurally diverse aryl bromides are well tolerated in the α‐arylation reaction with a chiral nickel(II) glycinate complex.
ChemInform Abstract: Enzyme‐Catalyzed Regio‐ and Enantioselective Preparative Scale Synthesis of (S)‐2‐Hydroxy Alkanones.
Authors: Loderer C. , Ansorge‐Schumacher M. B.
Published: August 2015

α‐Hydroxy alkanones ((S)‐II) are obtained by stereoselective enzyme‐catalyzed diketone reduction with high enantiomeric purity.
ChemInform Abstract: Asymmetric Palladium‐Catalyzed Umpolung Cyclization of Allylic Acetate‐Aldehyde Using Formate as a Reductant.
Authors: Tsukamoto Hirokazu , Kawase Ayumu , Doi Takayuki
Published: August 2015

The first example of an enantioselective umpolung cyclization of allylic acetates or aldehydes is described.
ChemInform Abstract: Phosphine‐Catalyzed Enantioselective Intramolecular [3 + 2] Annulations to Generate Fused Ring Systems.
Authors: Lee Sarah Yunmi , Fujiwara Yuji , Nishiguchi Atsuko , Kalek Marcin , Fu Gregory C.
Published: August 2015

A simple protocol employing the chiral phosphine catalysts (I) is presented for the synthesis of diquinane, fused pyrrolidine, coumarine, and quinoline derivatives.
ChemInform Abstract: Gold as Catalyst for the Hydroarylation and Domino Hydroarylation/N1—C4 Cleavage of β‐Lactam‐Tethered Allenyl Indoles.
Authors: Alcaide Benito , Almendros Pedro , Cembellin Sara , Martinez del Campo Teresa
Published: August 2015

Gold‐catalyzed carbocyclization of the title compounds give corresponding fused tetracyclic indole‐β‐lactams in modest to good yields with high stereo‐ and regioselectivities.
ChemInform Abstract: Cooperative Catalysis of Cyclic Carbonate Ring Opening: Application Towards Non‐Isocyanate Polyurethane Materials.
Authors: Lombardo Vince M. , Dhulst Elizabeth A. , Leitsch Emily K. , Wilmot Nathan , Heath William H. , Gies Anthony P. , Miller Matthew D. , Torkelson John M. , Scheidt Karl A.
Published: August 2015

The reaction between cyclic carbonates and amines to produce hydroxyurethanes is an important alternative to current urethane chemistry.
ChemInform Abstract: [1,4]‐Aza‐Brook Rearrangement for Efficient Formation of Benzynes and Their Cycloaddition.
Authors: Huang Ze‐Ao , Tang Fan , Xu Yan‐Jun , Lu Chong‐Dao
Published: August 2015

The aza‐Brook‐rearrangement of 2‐(trimethylsilyl)aryltriflates 3‐substituted with a secondary benzylic amino group to benzyne intermediates and subsequent inter‐ or intramolecular trapping of the latter with 1,3‐dienes such as furan and pyrrole derivatives as well as alkyl azides or 1,3‐dipoles such as nitrones is elaborated.
ChemInform Abstract: A Green Procedure for Direct Oxidation of Organic Halides to Aldehydes and Ketones Catalyzed by a Molybdate‐Based Catalyst.
Authors: Bayat Ahmad , Shakourian‐Fard Mehdi , Ramezanpour Shaghayegh , Mahmoodi Hashemi Mohammad
Published: August 2015

A heterogeneous magnetic catalyst, based on iron oxide nanoparticles and molybdate is used in the direct oxidation of primary and secondary organic halides.
ChemInform Abstract: Cobalt Porphyrin Catalyzed Hydrodehalogenation of Aryl Bromides with KOH.
Authors: Chan Kin Shing , Liu Chun Ran , Wong Ka Lai
Published: August 2015

The title reaction allows efficient dehydrobromination of electron‐rich arenes in THF or isopropanol as the solvent.
ChemInform Abstract: Palladium‐Catalyzed C—H Activation of N‐Allyl Imines: Regioselective Allylic Alkylations to Deliver Substituted Aza‐1,3‐Dienes.
Authors: Trost Barry M. , Mahapatra Subham , Hansen Martin
Published: August 2015

The oxidative addition of cyano substituted esters (II) and (IV) to allylic imines proceeds at the imine carbon to yield 1‐aza‐1,3‐dienes (III) and (V).
ChemInform Abstract: Organic Synthesis Based on the Beckmann Fragmentation: Generation of an Electrophilic Salt Intermediate and Successive C—C Bond Formation Using Gilman Reagents.
Authors: Fujioka Hiromichi , Matsumoto Nao , Ohta Reiya , Yamakawa Maki , Shimizu Nozomi , Kimura Takashi , Murai Kenichi
Published: August 2015

Various α‐alkoxy oximes are converted with collidine to form a collidinium salt intermediate, which reacts with cuprates (II) or (V) to give the corresponding nitriles.
ChemInform Abstract: Reaction of Bicyclic Zirconacyclopentenes with Aldehydes and a Potential Pathway to Condensed 5‐7‐6(Ar) Ring Systems.
Authors: Topolovcan Nikola , Panov Illia , Kotora Martin
Published: August 2015

Bicyclic zirconacyclopentenes in situ generated by the reactions of different enynes with ZrCl2(Cp)2 undergo chemo‐ and stereoselective insertion of (het)aryl and alkyl aldehydes providing the corresponding alcohols.
ChemInform Abstract: Transformation of Ethers into Aldehydes or Ketones: A Catalytic Aerobic Deprotection/Oxidation Pathway.
Authors: Shen Zhenlu , Chen Meng , Fang Tiantian , Li Meichao , Mo Weimin , Hu Baoxiang , Sun Nan , Hu Xinquan
Published: August 2015

A facile and efficient protocol is presented for the direct transformation of Pmb‐ether substrates derived from benzylic and aliphatic alcohols into their corresponding carbonyl compounds.
ChemInform Abstract: Nickel Nanoparticles Assisted Regioselective Synthesis of Pyrazoloquinolinone and Triazoloquinazolinone Derivatives.
Authors: Singh Nongthombam Geetmani , Nagarajaprakash Rammamorthy , Rani Jims World Star , Kathing Chingrishon , Nongrum Ridaphun , Nongkhlaw Rishanlang
Published: August 2015

The protocol avoids the use of toxic reagents.
ChemInform Abstract: Nickel‐Catalyzed Monofluoromethylation of Aryl Boronic Acids.
Authors: Su Yi‐Ming , Feng Guang‐Shou , Wang Zhen‐Yu , Lan Quan , Wang Xi‐Sheng
Published: August 2015

The reaction of phenylsulfonyl or ester activated monofluoro monohalomethanes with arylboronic acids is achieved in the presence of a nickel catalyst to yield the corresponding fluoromethylaryl derivatives.
ChemInform Abstract: Catalytic Chemical Amide Synthesis at Room Temperature: One More Step Toward Peptide Synthesis.
Authors: Mohy El Dine Tharwat , Erb William , Berhault Yohann , Rouden Jacques , Blanchet Jerome
Published: August 2015

A direct amide bond synthesis between carbocyclic acids and amines is achieved in the presence of a highly active bench‐stable catalyst.
ChemInform Abstract: The Synthesis of Cyclopropyl Amines and Cyclopropanols by the Reaction of Enamines and Trimethylsilyl Enol Ethers with CH2I2 and Et3Al.
Authors: Kadikova R. N. , Ramazanov I. R. , Zosim T. P. , Yaroslavova A. V. , Dzhemilev U. M.
Published: August 2015

The method offers access to 1‐substituted cyclopropanols and syn‐1,2‐disubstituted cyclopropyl amines.
ChemInform Abstract: Gold‐Catalyzed Rearrangement of Alkynyl Donor—Acceptor Cyclopropanes to Construct Highly Functionalized Alkylidenecyclopentenes.
Authors: Chen Huiyu , Zhang Jing , Wang David Zhigang
Published: August 2015

The synthetically robust entry is based on a 1,7‐addition/cyclization/elimination cascade reaction under mild conditions.
ChemInform Abstract: Heck, Suzuki and Sonogashira Cross‐Coupling Reactions Using ppm Level of SBA‐16 Supported Pd‐Complex.
Authors: Sarkar Shaheen M. , Rahman Md. Lutfor , Yusoff Mashitah Mohd
Published: August 2015

The catalyst is recoverable and reusable for five cycles without significant loss of activity.
ChemInform Abstract: Insight into O2‐Promoted Base‐Catalyzed N‐Alkylation of Amines with Alcohols.
Authors: Wang Chao , Chen Changpeng , Han Jian , Zhang Jingyu , Yao Yingming , Zhao Yingsheng
Published: August 2015

A highly efficient and practical transition‐metal‐free CsOH/O2 catalyst system is developed for the N‐alkylation of amines with alcohols.
ChemInform Abstract: An Umpolung Strategy for the Synthesis of β‐Aminoketones via Copper‐Catalyzed Electrophilic Amination of Cyclopropanols.
Authors: Ye Zhishi , Dai Mingji
Published: August 2015

A novel Cu‐catalyzed electrophilic ring‐opening amination of cyclopropanols with N,N‐dialkyl‐O‐benzoylhydroxylamines is studied to give β‐aminoketones in good to excellent yields.
ChemInform Abstract: Copper‐Catalyzed Regio‐ and Stereoselective Hydroallylation of Thioalkynes with Allylboronates: A Facile and Convenient Synthesis of 1,4‐Dienes.
Authors: Kong Wei , Che Chao , Kong Lichun , Zhu Gangguo
Published: August 2015

The hydroallylation reaction affords 1,4‐dienyl sulfides in moderate to good yield.
ChemInform Abstract: Metal‐Free Iodine‐Mediated Synthesis of Vinyl Sulfones at Room Temperature Using Water as Solvent.
Authors: Zhang Ning , Yang Daoshan , Wei Wei , Yuan Li , Cao Youjuan , Wang Hua
Published: August 2015

A green synthesis of vinyl sulfones is performed by sulfonylation of styrenes with sodium arylsulfinates.
ChemInform Abstract: Cobalt(II) Catalyzed C(sp)—H Bond Functionalization of Alkynes with Phenyl Hydrazines: Facile Access to Diaryl 1,2‐Diketones.
Authors: Bharate Jaideep B. , Abbat Sheenu , Sharma Rohit , Bharatam Prasad V. , Vishwakarma Ram A. , Bharate Sandip B.
Published: August 2015

The formation of 1,2‐diketones succeeds upon the reaction between aryl hydrazines and aryl alkynes, but fails using aliphatic alkynes.
ChemInform Abstract: Microreactor Mediated Deoxygenation of Benzylic Alcohols in a Biphasic Organic‐Aqueous Medium.
Authors: Seo Seung Woo , Song Hyun Seung , Song Ju Ha , Kim Geon‐Hee , In Insik , Park Chan Pil
Published: August 2015

A droplet‐based microreactor, which induces rapid mixing of HI and H3PO4 in the aqueous phase and alcohols in the organic phase is employed for the deoxygenation of various benzylic alcohols.
ChemInform Abstract: Transition‐Metal‐Free Benzannulation for Diverse and Polyfunctionalized Biaryl Formation.
Authors: Poudel Tej Narayan , Lee Yong Rok
Published: August 2015

The novel and efficient cascade reaction is based on the reaction between readily available β‐ketoesters, β‐ketoamides, or 1,3‐diketones with α,β‐unsaturated aldehydes or aryl aldehydes.
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Addition of Arylboronic Acids to Nitrostyrenes.
Authors: He Qun , Xie Fang , Fu Guanghong , Quan Mao , Shen Chaoren , Yang Guoqiang , Gridnev Ilya D. , Zhang Wanbin
Published: August 2015

The scalable reaction between aryl boronic acids and aryl nitroalkenes proceeds with high yields and enantioselectivities, but fails using alkyl nitroalkenes.
ChemInform Abstract: Iron‐Catalyzed Oxidative C—H/C—H Cross‐Coupling Between Electron‐Rich Arenes and Alkenes.
Authors: Ma Yiyang , Zhang Dongchao , Yan Zhiyuan , Wang Mengfan , Bian Changliang , Gao Xinlong , Bunel Emilio E. , Lei Aiwen
Published: August 2015

A novel FeCl3‐catalyzed oxidative cross‐coupling of 1,3,5‐trimethoxybenzene as electron‐rich arene with 1,1,‐diarylethenes as well as styrenes using DDQ as the oxidant is developed.
ChemInform Abstract: Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa‐Michael Addition Triggered Ring‐Expansion Approach.
Authors: Hu Zhi‐Peng , Zhuang Zhe , Liao Wei‐Wei
Published: August 2015

A novel asymmetric synthetic approach for the construction of enantioenriched functionalized dihydroquinones incorporating adjacent quaternary and tertiary stereocenters is reported.
ChemInform Abstract: Organocatalytic Diastereoselective Synthesis of Chiral Decalines Through the Domino Claisen—Schmidt/Henry Reaction.
Authors: Shashank Adluri B. , Ramachary Dhevalapally B.
Published: August 2015

Starting from cyclic enones and chiral 3‐aryl substituted 4‐nitrobutanals decaline systems with three contiguous stereocenters are prepared in often good yields and with very high enantioselectivities.
ChemInform Abstract: A Short, General, Suzuki—Miyaura Coupling Anchored Approach to 3‐Alkenylbutenolides: Total Synthesis of Akolactones A & B, Hamabiwalactone B and Ancepsenolide.
Authors: Vasamsetty Laxmaiah , Khan Faiz Ahmed , Mehta Goverdhan
Published: August 2015

The efficient and versatile synthesis allows for the preparation of compounds bearing one or two 3‐substituted butenolide moieties.
ChemInform Abstract: Selective Synthesis of 6′‐Arylidene‐1‐aryl‐3‐aryl‐spiro[pyrrolizidine‐2,2′‐cyclohexanone] by Cycloaddition of Azomethine Ylides to Dibenzylidene Cyclohexanone.
Authors: Gayen Biswajit , Banerji Avijit
Published: August 2015

Azomethine ylides, generated in situ from L‐proline and aryl aldehydes, undergo cycloaddition reaction to form spiro compounds of type (IV).
ChemInform Abstract: Biocatalytic One‐Pot Three‐Component Synthesis of 3,3′‐Disubstituted Oxindoles and Spirooxindole Pyrans Using α‐Amylase from Hog Pancreas.
Authors: He Tao , Zeng Qing‐Qing , Yang Da‐Cheng , He Yan‐Hong , Guan Zhi
Published: August 2015

The title compounds are obtained by Knoevenagel/Michael reaction or Knoevenagel/Michael/cyclization reaction between isatins, malononitrile, and active methyl or active methylene compounds (acetone, nitromethane, indole, acetylacetone, 4‐hydroxycoumarin, and dimedone) under mild reaction conditions.
ChemInform Abstract: Metal‐Free Cascade Cyclization of Alkenes Toward Perfluorinated Oxindoles.
Authors: Tang Shi , Li Zhi‐Hao , Wang Ming‐Wei , Li Zhi‐Ping , Sheng Rui‐Long
Published: August 2015

Starting from N‐arylacrylamides and perfluoroalkyl iodides variously substituted perfluorinated oxindoles are synthesized in high yields.
ChemInform Abstract: Lewis Acid Catalyzed C‐3 Alkylidenecyclopentenylation of Indoles: An Easy Access to Functionalized Indoles and Bisindoles.
Authors: Sarath Chand S. , Sasidhar B. S. , Prakash Praveen , Sasikumar P. , Preethanuj P. , Jaroschik Florian , Harakat Dominique , Vasse Jean‐Luc , Radhakrishnan K. V.
Published: August 2015

The title compounds are efficiently obtained in one‐pot by ring opening of pentafulvene derived diazabicyclic olefins.
ChemInform Abstract: Oxidant‐Free Rhodium(I)‐Catalyzed Difunctionalization of Acrylamide: An Efficient Approach to Synthesize Oxindoles.
Authors: Li Chen‐Chen , Yang Shang‐Dong
Published: August 2015

Arylacrylamides (I), (IV), and (VI) are found to react with aryl bromides and benzyl chloride in the presence of a Rh‐catalyst to yield oxindoles.
ChemInform Abstract: Direct Synthesis of Imidazolidin‐4‐ones via Cycloadditions of Imines with a Leuchs′ Anyhdride.
Authors: Sucu Bilgesu Onur , Ocal Nuket , Erden Ihsan
Published: August 2015

A new method for a one‐step synthesis of imidazolidin‐4‐ones is developed based on tandem nucleophilic additions‐decarboxylation‐intramolecular cyclizations of imines with a Leuchs′ anhydride.
ChemInform Abstract: MgCl2·6H2O Catalyzed Highly Efficient Synthesis of 2‐Substituted‐1H‐benzimidazoles.
Authors: Ghosh Pranab , Subba Raju
Published: August 2015

A new facile protocol is reported for the condensation of 1,2‐phenylenediamine with aryl‐ and hetaryl aldehydes to produce benzimidazoles.
ChemInform Abstract: Access to 2‐(Het)aryl and 2‐Styryl Benzoxazoles via Palladium‐Catalyzed Aminocarbonylation of Aryl and Vinyl Bromides.
Authors: Neumann Karoline T. , Lindhardt Anders T. , Bang‐Andersen Benny , Skrydstrup Troels
Published: August 2015

The efficient one‐pot protocol has a broad substrate scope and is suitable for 13C labeling of the oxazole ring.
ChemInform Abstract: Catalytic Asymmetric Inverse‐Electron‐Demand Oxa‐Diels—Alder Reaction of in situ Generated ortho‐Quinone Methides with 3‐Methyl‐2‐vinylindoles.
Authors: Zhao Jia‐Jia , Sun Si‐Bing , He Sai‐Huan , Wu Qiong , Shi Feng
Published: August 2015

The first examples of an asymmetric inverse‐electron demand oxa‐Diels—Alder reaction of ortho‐quinone methides, generated in situ from ortho‐hydroxybenzyl alcohols, is described using 3‐methyl‐2‐vinylindoles as dienophiles.
ChemInform Abstract: Calcium‐Catalyzed Formal [2 + 2 + 2] Cycloaddition.
Authors: Meyer Vera J. , Ascheberg Christoph , Niggemann Meike
Published: August 2015

A formal [2 + 2 + 2] cycloaddition of enynes (I) and (IV) with aliphatic and aromatic aldehydes is achieved in the presence of Ca(NTf2)2 and Bu4NPF6 or Bu4NBF4 as mixed catalyst system resulting in the formation of dihydropyran derivatives (III) and (V).
ChemInform Abstract: 2H‐Chromenes Generated by an Iron(III) Complex‐Catalyzed Allylic Cyclization.
Authors: Calmus L. , Corbu A. , Cossy J.
Published: August 2015

A wide variety of 2H‐chromenes is prepared via FeCl3‐catalyzed allylic cyclization under microwave irradiation.
ChemInform Abstract: Zn‐Catalyzed Enantio‐ and Diastereoselective Formal [4 + 2] Cycloaddition Involving Two Electron‐Deficient Partners: Asymmetric Synthesis of Piperidines from 1‐Azadienes and Nitro‐Alkenes.
Authors: Chu John C. K. , Dalton Derek M. , Rovis Tomislav
Published: August 2015

The novel bisoxazoline diphenylamine ligand (OXA) provides high reactivity and enantioselectivity in the title process, which is proposed to proceed in a stepwise manner via Michael‐type addition of the imine to the nitroalkane followed by cyclization.
ChemInform Abstract: Unexpected Synthesis of 5,6‐Dihydropyridin‐2(1H)‐ones by a Domino Ugi/Aldol/Hydrolysis Reaction Starting from Baylis—Hillman Phosphonium Salts.
Authors: Zeng Xiao‐Hua , Wang Hong‐Mei , Ding Ming‐Wu
Published: August 2015

The one‐pot title reaction starts from aryl substituted Baylis‐Hillman phosphonium salts, arylglyoxylates, alkyl cyanides, and primary alkyl amines and does not tolerate aryl amines.
ChemInform Abstract: Unexpected Regiospecific Michael Addition Product: Synthesis of 5,6‐Dihydrobenzo[1,7]phenanthrolines.
Authors: Roopan Selvaraj Mohana , Bharathi Annadurai , Palaniraja Jeyakannu , Anand K. , Gengan R. M.
Published: August 2015

Reaction of benzylidenedihydroacridinones (I) with malononitrile using montmorillonite KSF as catalyst leads to the regiospecific formation of expected phenanthroline‐3‐carbonitriles (V) whilst the use of NaH as base results in the regiospecific formation of unexpected Michael addition products (IV).
ChemInform Abstract: Synthesis of Unprecedented Benzofused [1,2,4]‐Triazoloquinazolines via Benzyne Diels—Alder Reaction with 7‐Vinyl‐[1,2,4]triazolo[1,5‐c]pyrimidines as Dienes.
Authors: Wang Chao , Tang Caifei , Fang Xiangdong , Li Zhiming , Wang Quanrui
Published: August 2015

The oxidative aromatization of the dehydroaromatization products to complex heterocyclic ring systems is exemplified.
ChemInform Abstract: Mn Doped ZrO2 as a Green, Efficient and Reusable Heterogeneous Catalyst for the Multicomponent Synthesis of Pyrano[2,3‐d]‐pyrimidine Derivatives.
Authors: Maddila Surya Narayana , Maddila Suresh , van Zyl Werner E. , Jonnalagadda Sreekantha B.
Published: August 2015

The title pyrimidines (IV) are efficiently obtained by condensation reaction between dimethylbarbituric acid, various aromatic aldehydes and malononitrile under mild and environmentally friendly reaction conditions.
ChemInform Abstract: Alkylation of Nitrogen‐Containing Heterocycles via in situ Sulfonyl Transfer.
Authors: Panteleev Jane , Maguire Robert J. , Kung Daniel W.
Published: August 2015

A range of sulfonyl substituted N‐heterocycles are submitted to a convenient desulfonylative alkylation procedure using a variety of primary and secondary alcohols as the alkylating agents.
ChemInform Abstract: I2‐Promoted Denitration Strategy: One‐Pot Three Component Synthesis of Pyrrole‐Fused Benzoxazines.
Authors: Sagar A. , Babu Venkata Nagarjuna , Dey Arnab , Sharada Duddu S.
Published: August 2015

Coupling of 2‐aminophenols with acetylenic ester (II) affords alkylidene benzoxazine intermediates.
ChemInform Abstract: Synthesis Toward CRHR1 Antagonists Through 2,7‐Dimethylpyrazolo[1,5‐α][1,3,5]triazin‐4(3H)‐one C—H Arylation.
Authors: Long Jinghai , Lee Woong‐Sup , Chough Chieyeon , Bae Il Hak , Kim B. Moon
Published: August 2015

Aryl iodides as reactants give mostly lower yields.
ChemInform Abstract: Sequential Friedel—Crafts‐Type α‐Amidoalkylation/Intramolecular Hydroarylation: Distinct Advantage of Combined Tf2NH/Cationic LAu(I) as a Consecutive or Binary Bicatalytic System.
Authors: Boiaryna Liliana , Azizi Mohamed Salah , El Bouakher Abderrahman , Picard Baptiste , Taillier Catherine , Othman Mohamed , Trabelsi‐Ayadi Malika , Dalla Vincent
Published: August 2015

The process gives polycyclic heterocycles generally as separable mixtures of 6‐exo‐dig and 7‐endo‐dig cyclization products.
ChemInform Abstract: Nickel Complexes of 1,2,4‐Triazole Derived Amido‐Functionalized N‐Heterocyclic Carbene Ligands: Synthesis, Theoretical Studies and Catalytic Application.
Authors: Kumar Anuj , Bheeter Linus Paulin , Gangwar Manoj Kumar , Sortais Jean‐Baptiste , Darcel Christophe , Ghosh Prasenjit
Published: August 2015

The new catalysts show only low to moderate activity in the borylation reaction of aryl bromides (I) with bis(pinacolato)diboron (II).
ChemInform Abstract: Synthesis of Benzofused 1,4‐Azaborinols via [4 + 2] Annulation Strategy and Its Application in Indole Synthesis.
Authors: Chinnapattu Murugan , Sathiyanarayanan Kulathu Iyer , Iyer Pravin S.
Published: August 2015

The first general synthesis of benzo‐fused 1,4‐azaborinols and their smooth conversion into corresponding indoles are reported.
ChemInform Abstract: Copper‐Catalyzed Silylative Allylation of Ketones and Aldehydes Employing Allenes and Silylboranes.
Authors: Tani Yosuke , Yamaguchi Tatsuya , Fujihara Tetsuaki , Terao Jun , Tsuji Yasushi
Published: August 2015

The copper‐catalyzed silylative allylation of ketones with allenes and silylboranes via an in situ generated β‐silylallylcopper intermediate is presented.
ChemInform Abstract: Cesium‐Catalyzed Regioselective Synthesis of Trisubstituted Heteroatom Alkenes: A New Strategy for the Preparation of Functional Alkenes.
Authors: Chen Jinyang , Tang Zhi , Qiu Renhua , He Yunhua , Wang Xie , Li Ningbo , Yi Haibo , Au Chak‐Tong , Yin Shuang‐Feng , Xu Xinhua
Published: August 2015

A regio‐, chemo‐, and (Z)‐stereoselective synthesis of vinylic dichalcogenides is developed using the CsOH‐catalyzed three‐component coupling of terminal alkynes, diaryl disulfides, and diaryl diselenides or tellurides.
ChemInform Abstract: Synthesis of Unsymmetrical Diorganyl Chalcogenides under Greener Conditions: Use of an Iodine/DMSO System, Solvent‐ and Metal‐Free Approach.
Authors: Saba Sumbal , Rafique Jamal , Braga Antonio L.
Published: August 2015

The use of iodine as the catalyst and DMSO as the oxidant renders possible the coupling of diorganyl dichalcogenides with arylboronic acids and vinyltrifluoroborate (VIII) to give the title products in good yields.
ChemInform Abstract: New Triterpenoid Glycosides from the Roots of Camellia oleifera Abel.
Authors: Li Xia , Zhao Jianping , Li Xiaoran , Liu Yanli , Xu Qiongming , Khan Ikhlas A. , Yang Shilin
Published: August 2015

The five new triterpenoid saponins oleiferoside I (Ia), J (Ib), K (Ic), L (IIa), and M (IIb) are isolated from the roots of Camellia oleifera Abel.
ChemInform Abstract: Microwave and Ultrasound Assisted First Synthesis of 12‐Hydroxyhentriacontane.
Authors: Kaur Jasamrit , Kaur Irvinder , Jindal Gitanjali , Manhas Priya , Gupta Neeru , Singh Jasvinder
Published: August 2015

For the first time, title compound (I), naturally occurring in the leaves of Ziziphus mauritiana, is efficiently synthesized using microwave or ultrasound irradiation, respectively.
ChemInform Abstract: PTP1B Inhibitors from Stems of Angelica keiskei (Ashitaba).
Authors: Li Jin‐long , Gao Li‐xin , Meng Fan‐wang , Tang Chun‐lan , Zhang Ru‐jun , Li Jing‐ya , Luo Cheng , Li Jia , Zhao Wei‐min
Published: August 2015

The three new chalcones, xanthoangelol K (I), L (II), and M (III) are isolated from the stems of Angelica keiskei along with 19 known compounds.
ChemInform Abstract: Cytochalasin Derivatives from a Jellyfish‐Derived Fungus Phoma sp.
Authors: Kim Eun La , Wang Haibo , Park Ju Hee , Hong Jongki , Choi Jae Sue , Im Dong Soon , Chung Hae Young , Jung Jee H.
Published: August 2015

Four new cytochalasin derivatives (I), (II), (III), and (IV) are isolated from the jellyfish‐derived fungus Phoma sp.
ChemInform Abstract: Synthetic Studies on Natural Products. Part 83. Stereoselective Total Synthesis of Crassalactone A, a Natural Cytotoxic Styryl Lactone.
Authors: Reddy Parigi Raghavendar , Das Biswanath
Published: August 2015

A stereoselective total synthesis of crassalactone A (I), a naturally occurring cytotoxic styryl lactone, is described.
ChemInform Abstract: Electrolytic Manganese Dioxide (EMD): A Perspective on Worldwide Production, Reserves and Its Role in Electrochemistry
Authors: Biswal Avijit , Chandra Tripathy Bankim , Sanjay Kali , Subbaiah Tondepu , Minakshi Manickam
Published: August 2015

Review: 215 refs.
ChemInform Abstract: Dinitrogen Binding and Cleavage by Multinuclear Iron Complexes
Authors: McWilliams Sean F. , Holland Patrick L.
Published: August 2015

Review: 51 refs.
ChemInform Abstract: The Renaissance of Non‐Aqueous Uranium Chemistry
Authors: Liddle Stephen T.
Published: August 2015

Review: [219 refs.
ChemInform Abstract: Metal Complexes of Curcumin — Synthetic Strategies, Structures and Medicinal Applications
Authors: Wanninger Simon , Lorenz Volker , Subhan Abdus , Edelmann Frank T.
Published: August 2015

Review: 50 refs.
ChemInform Abstract: New Procedures for Catalytic Carbophilic Activation by Gold and Gallium π‐Acids
Authors: Bour Christophe , Gandon Vincent
Published: August 2015

Review: [51 refs.
ChemInform Abstract: Macromolecular Peroxo Complexes of Vanadium(V) and Molybdenum(VI): Catalytic Activities and Biochemical Relevance
Authors: Islam Nashreen S. , Boruah Jeena Jyoti
Published: August 2015

Review: [155 refs.]
ChemInform Abstract: New Insights into the Kinetic Target‐Guided Synthesis of Protein Ligands
Authors: Oueis Emilia , Sabot Cyrille , Renard Pierre‐Yves
Published: August 2015

Review: 65 refs.
ChemInform Abstract: 1,4‐Dihydropyrrolo[3,2‐b]pyrrole and Its π‐Expanded Analogues
Authors: Janiga Anita , Gryko Daniel T.
Published: August 2015

Review: [synthesis, reactivity, and properties; 67 refs.
ChemInform Abstract: Hybrids of Cationic Porphyrins with Nanocarbons
Authors: Girek Beata , Sliwa Wanda
Published: August 2015

Review: 150 refs.
ChemInform Abstract: Crown‐Substituted Phthalocyanines‐Components of Molecular Ionoelectronic Materials and Devices
Authors: Martynov A. G. , Gorbunova Yu. G. , Tsivadze A. Yu.
Published: August 2015

Review: synthetic approaches towards oxa‐crown‐substituted phthalocyanines including vrious metal complexes of s‐, p‐, d‐, and f‐elements and their coordination, supr amolecular and materials chemistry; 184 refs.
ChemInform Abstract: The Synthesis of Heteroleptic Phosphines
Authors: Kendall Alexander J. , Tyler David R.
Published: August 2015

Review: 81 refs.
ChemInform Abstract: Recent Advances in Isoxazole Chemistry
Authors: Galenko A. V. , Khlebnikov A. F. , Novikov M. S. , Pakalnis V. V. , Rostovskii N. V.
Published: August 2015

Review: 460 refs.
ChemInform Abstract: Vinyl Azides as Versatile Synthons for the Synthesis of Nitrogen‐Containing Heterocycles
Authors: Ni Hangcheng , Zhang Guolin , Yu Yongping
Published: August 2015

Review: 109 refs.
ChemInform Abstract: Catalytic, Green and Regioselective Friedel‐Crafts Acylation of Simple Aromatics and Heterocycles Over Zeolites
Authors: El‐Hiti Gamal A. , Smith Keith , Hegazy Amany S.
Published: August 2015

Review: 152 refs.
ChemInform Abstract: Characterization of the Interaction Between Heme and a Parallel G‐Quadruplex DNA Formed from d(TTAGGGT)
Authors: Shimizu Haruna , Tai Hulin , Saito Kaori , Shibata Tomokazu , Kinoshita Masashi , Yamamoto Yasuhiko
Published: August 2015

Review: 42 refs.
ChemInform Abstract: Glycans in Medicinal Chemistry: An Underexploited Resource
Authors: Fernandez‐Tejada Alberto , Canada F. Javier , Jimenez‐Barbero Jesus
Published: August 2015

Review: [33 refs.
ChemInform Abstract: Recent Advances in Organic Field Effect Transistors
Authors: Abanoz Ozge , Dimitrakopoulos Christos
Published: August 2015

Review: 96 refs.
ChemInform Abstract: Graphene‐Based Membranes
Authors: Liu Gongping , Jin Wanqin , Xu Nanping
Published: August 2015

Review: theoretical prediction, fabrication strategies, structure‐property relationships, and transport properties; 50 refs.
ChemInform Abstract: Fabrication of Mesostructured Silica Materials Through Co‐Structure‐Directing Route
Authors: Huang Zhehao , Che Shunai
Published: August 2015

Review: 104 refs.
ChemInform Abstract: Research Progress of Perovskite Materials in Photocatalysis‐ and Photovoltaics‐Related Energy Conversion and Environmental Treatment
Authors: Wang Wei , Tade Moses O. , Shao Zongping
Published: August 2015

Review: 203 refs.
ChemInform Abstract: Membrane Distillation Bioreactor (MDBR) ‐ A Lower Green‐House‐Gas (GHG) Option for Industrial Wastewater Reclamation
Authors: Goh Shuwen , Zhang Jinsong , Liu Yu , Fane Anthony G.
Published: August 2015

Review: 132 refs.
ChemInform Abstract: Some Attempts in the Rational Design of Heterogeneous Catalysts Using Density Functional Theory Calculations
Authors: Wang Ziyun , Hu P.
Published: August 2015

Review: 74 refs.
ChemInform Abstract: Mechanisms and Fundamental Reactions
Authors: Iwasaki Masayuki , Nishihara Yasushi
Published: August 2015

Review: 80 refs.
Population‐based study of the effect of gene expression profiling on adjuvant chemotherapy use in breast cancer patients under the age of 65 years
Authors: Potosky Arnold L. , O'Neill Suzanne C. , Isaacs Claudine , Tsai Huei‐Ting , Chao Calvin , Liu Chunfu , Ekezue Bola F. , Selvam Nandini , Kessler Larry G. , Zhou Yingjun , Schwartz Marc D.
Published: August 2015

BACKGROUND

Gene expression profiling (GEP) testing can help to predict the risk of cancer recurrence and guide decisions about adjuvant chemotherapy for breast cancer (BC). However, no prior US studies have evaluated the relation between GEP testing and the use of adjuvant chemotherapy by women treated in a general oncology practice.

METHODS

Eligible patients were women under the age 65 of years who were newly diagnosed with their first stage I or II, hormone receptor–positive BC between 2006 and 2011 (n = 9405). This retrospective study was conducted with a data set consisting of registry data, health claims data, and GEP testing results. The distribution of GEP test results was reported in terms of the risk of recurrence predicted, and logistic regression was used to assess the association of test results with chemotherapy use, with adjustments made for multiple patient characteristics.

RESULTS

The proportions of tested women with low, intermediate, and high recurrence score results were 51%, 39%, and 10%, respectively. Among these women, 11%, 47%, and 88%, respectively, received adjuvant chemotherapy. There was a significant, positive linear relation of assay scores with chemotherapy use within the low and intermediate subgroups after adjustments for all other factors (adjusted odds ratios, 1.17 and 1.20, respectively).

CONCLUSIONS

Adjuvant chemotherapy use after GEP testing is generally consistent with the recommended test interpretation for women with a high or low predicted risk of recurrence. Chemotherapy use in the intermediate‐risk group increased with Recurrence Score values, and evidence from ongoing randomized trials may help to clarify whether this finding reflects optimal interpretation of GEP test results. These results demonstrate the principle that genomic testing, on the basis of research establishing its utility, can be applied appropriately in general practice in accordance with guideline recommendations. Cancer 2015;121:4062–4070. © 2015 American Cancer Society.
Proton Migration in Clusters Consisting of Protonated Pyridine Solvated by Water Molecules
Authors: Berthias Francis , Feketeová Linda , Chermette Henry , Forquet Valérian , Morell Christophe , Abdoul‐Carime Hassan , Farizon Bernadette , Farizon Michel , Märk Tilmann D.
Published: August 2015

Proton transfer (PT) from protonated pyridine to water molecules is observed after excitation of microhydrated protonated pyridine (Py) clusters PyH+(H2O)n (n=0–5) is induced by a single collision with an Ar atom at high incident velocity (95×103 m s−1). Besides the fragmentation channel associated with the evaporation of water molecules, the charged‐fragment mass spectrum shows competition between the production of the PyH+ ion (or its corresponding charged fragments) and the production of H+(H2O) or H+(H2O)2 ions. The increase in the production of protonated water fragments as a function of the number of H2O molecules in the parent cluster ion as well sd the observation of a stable H+(H2O)2 fragment, even in the case of the dissociation of PyH+(H2O)2, are evidence of the crucial role of PT in the relaxation process, even for a small number of solvating water molecules.
Elucidating the Structure of Chiral Molecules by using Amplified Vibrational Circular Dichroism: From Theory to Experimental Realization
Authors: Domingos Sérgio R. , Hartl František , Buma Wybren Jan , Woutersen Sander
Published: August 2015

Recent experimental observations of enhanced vibrational circular dichroism (VCD) in molecular systems with low‐lying electronically excited states suggest interesting new applications of VCD spectroscopy. The theory describing VCD enhancement through vibronic coupling schemes was derived by Nafie in 1983, but only recently experimental evidence of VCD amplification has demonstrated the extent to which this effect can be exploited as a structure elucidation tool to probe local structure. In this Concept paper, we give an overview of the physics behind vibrational circular dichroism, in particular the equations governing the VCD amplification effect, and review the latest experimental developments with a prospective view on the application of amplified VCD to locally probe biomolecular structure.
A Study of the Solvation Structure of l‐Leucine in Alcohol–Water Binary Solvents through Molecular Dynamics Simulations and FTIR and NMR Spectroscopy
Authors: Takamuku Toshiyuki , Hatomoto Yohei , Tonegawa Junko , Tsutsumi Youichi , Umecky Tatsuya
Published: August 2015

The solvation structures of l‐leucine (Leu) in aliphatic‐alcohol–water and fluorinated‐alcohol–water solvents are elucidated for various alcohol contents by using molecular dynamics (MD) simulations and IR, and 1H and 13C NMR spectroscopy. The aliphatic alcohols included methanol, ethanol, and 2‐propanol, whereas the fluorinated alcohols were 2,2,2‐trifluoroethanol and 1,1,1,3,3,3‐hexafluoro‐2‐propanol. The MD results show that the hydrophobic alkyl moiety of Leu is surrounded by the alkyl or fluoroalkyl groups of the alcohol molecules. In particular, TFE and HFIP significantly solvate the alkyl group of Leu. IR spectra reveal that the Leu C−H stretching vibration blueshifts in fluorinated alcohol solutions with increasing alcohol content, whereas the vibration redshifts in aliphatic alcohol solutions. When the C−H stretching vibration blueshifts in the fluorinated alcohol solutions, the hydrogen and carbon atoms of the Leu alkyl group are magnetically shielded. Consequently, TFE and HFIP molecules may solvate the Leu alkyl group through the blue‐shifting hydrogen bonds.
Understanding of Surface Redox Behaviors of Li2MnO3 in Li‐Ion Batteries: First‐Principles Prediction and Experimental Validation
Authors: Kim Duho , Lim Jin‐Myoung , Lim Young‐Geun , Park Min‐Sik , Kim Young‐Jun , Cho Maenghyo , Cho Kyeongjae
Published: August 2015

Critical degradation mechanism of many cathode materials for Li‐ion batteries is closely related to phase transformations at the surface/interface. Li2MnO3 in x Li2MnO3⋅(1−x) LiMO2 (M=Ni, Co, Mn) provides high capacity, but the Li2MnO3 phase is known to degrade during cycling through phase transformation and O2 evolution. To resolve such degradation problems, it is critical to develop a fundamental understanding of the underlying mechanism. Using first‐principles calculations, we identified the surface delithiation potential (<4.5 V vs. Li/Li+) of Li2MnO3, which is significantly lower than the bulk redox potential. A lower Mn oxidation state at the surface would reduce the delithiation potential compared with the fully oxidized Mn4+ in the bulk. As a result, the delithiation would be initiated from the surface, which induces a phase transformation of Li2MnO3 into a spinel‐like structure from the surface. These theoretical findings have been confirmed by experimental analyses. Based on these detailed mechanistic understanding, it would be possible to develop rational approaches to modify and coat the surface to suppress degradation mechanisms.
Tunable selective receiver front end with impedance transformation filtering
Authors: Qazi Fahad , Duong Quoc‐Tai , Dąbrowski Jerzy
Published: August 2015

A highly selective impedance transformation filtering technique suitable for tunable selective RF receivers is presented in this paper. To achieve blocker rejection comparable with surface acoustic wave (SAW) filters, we use a two‐stage architecture based on a low‐noise transconductance amplifier (LNTA). The filter rejection is captured by a linear periodically varying model that includes band limitation by the LNTA output impedance and the related parasitic capacitances of the impedance transformation circuit. This model is also used to estimate ‘back folding’ by interferers placed at harmonic frequencies. Discussed is also the effect of thermal noise folding and phase noise on the circuit noise figure. As a proof of concept, a chip design of a tunable RF front end using 65 nm complementary metal‐oxide‐semiconductor (CMOS) technology is presented. In measurements, the circuit achieves blocker rejection competitive to SAW filters with noise figure 3.2–5.2 dB, out of band IIP3 > +17 dBm, and blocker P1dB > +5 dBm over frequency range of 0.5–3 GHz. Copyright © 2015 John Wiley & Sons, Ltd.
Examining biological vulnerability in environmental context: Parenting moderates effects of low resting respiratory sinus arrhythmia on adolescent depressive symptoms
Authors: Mezulis Amy H. , Crystal Sarah I. , Ahles Joshua J. , Crowell Sheila E.
Published: August 2015

Polyvagal theory suggests that parasympathetic regulation of cardiac function, indexed by resting respiratory sinus arrhythmia (RSA), may be a marker of emotion regulatory capacity and associated with youth psychopathology. Contemporary models of psychopathology suggest that the effects of biological vulnerability may be moderated by developmental context. The aim of the present study was to examine whether parenting, particularly parental responses to youth's negative emotions, moderated the effects of resting RSA on depressive symptoms among early adolescents. We examined resting RSA, depressive symptoms, and parental responses to youth negative emotions among 120 adolescents aged 11–14 years (M = 12.86, SD = .85; 52.5% female). Resting RSA and lack of supportive parenting interacted to predict youth depressive symptoms, such that low resting RSA predicted more depressive symptoms only in the context of low levels of supportive parental responses to youth's negative emotions. By contrast, high resting RSA buffered the effects of low supportive parenting on youth depressive symptoms. These findings highlight the importance of understanding joint contributions of biological vulnerability and developmental context on youth depression outcomes. © 2015 Wiley Periodicals, Inc. Dev Psychobiol 57: 974–983, 2015.
Characterizing dominant controls governing evapotranspiration within a natural saline fen in the Athabasca Oil Sands of Alberta, Canada
Authors: Phillips T. , Petrone R. M. , Wells C. M. , Price J. S.
Published: August 2015

Natural Boreal saline fens provide analogues for reclaimed wetland systems constructed with sodium‐rich tailings materials. These natural analogues can improve our understanding of vegetative controls on dominant ecohydrological processes (i.e. evapotranspiration (ET)) in constructed landscapes. Therefore, the objective of this study is to characterize ET within a natural boreal saline fen over a growing season to determine the primary hydro‐climatic controls using community‐scale ET measurements targeting dominant vegetation communities within different microforms along with environmental controls.

ET rates were highest during periods of peak vegetation growth and temperatures between June and August, with rates decreasing slightly in July. Vegetation species' physiology was the dominant variable governing ET. The more salt tolerant species maintained higher ET rates despite the lower leaf area index and water table levels found within these species. The lower ET rates measured in July can be attributed to high water tables from above average precipitation causing soil inundation and salt stress, increasing stomatal closure. However, community plots containing Triglochin maritima maintained transpiration rates under the coupled stress conditions. Therefore, this is a potentially important species for use in boreal reclamation planting schemes. Last, the findings emphasize that the dominant vegetation selected for reclamation projects must coincide with the materials used (peat and subsurface materials), as results within this study demonstrate that some native boreal fen species (Calamagrostis inexpansa, Hordeum jubatum, and Juncus balticus) were unable to maintain transpiration rates during flood and saline conditions that can occur within the mining area of this region. Copyright © 2015 John Wiley & Sons, Ltd.
Hematopoietic and nonhematopoietic cells promote Type I interferon‐ and TLR7‐dependent monocytosis during low‐dose LCMV infection
Authors: Buechler Matthew B. , Gessay Griffin M. , Srivastava Shivani , Campbell Daniel J. , Hamerman Jessica A.
Published: August 2015

Release of inflammatory monocytes from the bone marrow (BM) into the blood is an important physiological response to infection, but the mechanisms regulating this phenomenon during viral infection are not completely defined. Here, we show that low‐dose infection with lymphocytic choriomeningitis virus (LCMV) caused rapid, transient inflammatory monocytosis that required type I interferon (IFN) and Toll‐like receptor (TLR) 7 signaling. Type I IFN and TLR7 signals were critical for induction of IFN‐stimulated gene expression and CCR2 ligand upregulation in the BM microenvironment in response to LCMV infection. Experiments utilizing BM chimeric mice demonstrated that type I IFN and TLR7 signaling on either hematopoietic or nonhematopoietic cells was sufficient to initiate monocytosis in response to LCMV infection. BM plasmacytoid dendritic cells (pDCs) generated type I IFN directly ex vivo, suggesting that pDCs are a hematopoietic contributor of type I IFN in the BM early during LCMV infection. Overall, we describe novel roles for type I IFN and TLR7 signaling in nonhematopoietic cells and BM pDCs in directing IFN‐stimulated gene and CCR2 ligand expression in the BM to initiate an increase in blood inflammatory monocytes during viral infection.
Consider the costs of student attrition
Authors: Marthers Paul , Herrup Peter , Steele Jonathan
Published: August 2015

Efficient enrollment management offices routinely calculate the return on the investment made in recruitment, yield and retention activities. Offices track cost per applicant, cost per enrollee, net tuition revenue, etc. There are national benchmarks for such performance data. For example, the median cost to recruit a student is $2,433 for private colleges and $457 for public colleges, according to research published by Ruffalo Noel Levitz (see https://www.noellevitz.com/papers‐research‐higher‐education/2013/2013‐cost‐of‐recruiting‐an‐undergraduate‐student‐report).
Is college worth the investment?
Authors: Dennis Marguerite J.
Published: August 2015

In the June 12, 2015, issue of The Wall Street Journal, Kate Bachelder reviewed the book Will College Pay Off? A Guide to the Most Important Financial Decision You'll Ever Make by Wharton professor Peter Cappelli.
Overcome challenges to cultivate female leaders on your campus
Authors: Sutton Halley
Published: August 2015

SAN ANTONIO, TEXAS — In a packed session sponsored by the American Association for Women in Community Colleges at the recent American Association of Community Colleges annual convention, a group of female leaders in higher education spoke to the challenges of cultivating female leadership within higher education. The panel consisted of Allatia Harris, vice chancellor for the San Jacinto College District; Marie Gnage, campus president at Florida State College at Jacksonville; Maria Harper‐Marinick, executive vice chancellor and provost at Maricopa Community Colleges; and Dawn DeWolf, vice president of academic and student affairs at Lane Community College.
Coal Char Gasification on a Circulating Fluidized Bed for Hydrogen Generation: Experiments and Simulation
Authors: Zhang Rui , Liu Dong , Wang Qinhui , Luo Zhongyang , Fang Mengxiang , Cen Kefa
Published: August 2015

Char is the solid product of coal pyrolysis and its utilization is closely related to the scale of coal pyrolysis and tar processing. Char gasification is a promising choice for char utilization as it can provide hydrogen, which is needed for tar hydrogenation and chemical synthesis. However, reliable and mature coal char gasification technology has not yet been developed. The fluidized bed has been adopted as a gasifier in many studies, and its gasification temperature is relatively low. In this work, the feasibility of char gasification using a fluidized bed has been studied. A pyrolyzed bituminous coal char was gasified in a mixture of O2 and steam using a circulating fluidized bed. The height of the fluidized bed is 2360 mm and the inner diameter is 66 mm. The reactor is made of Ni‐Cd alloy steel, and a loopseal was used for solid circulation. In the experiments, the gasification temperature was varied between 870 and 900 °C, and the effects of O2/char and steam/char mass ratios on the gasification results were analyzed. The volume fraction of combustible gas, dry gas yield, carbon conversion, and lower heating value of the best case were 43.92 %, 1.64 Nm3 kg−1, 0.85, and 5.17 MJ N m−3, respectively. In addition, a simple model and a complex model were established by using Aspen Plus software. The two models were used to simulate char gasification, and the simulation results were validated with the experimental results. The results indicated that the complex model is more accurate than the simple model and is more suitable to simulate char gasification in a circulating fluidized bed.
Reliability correction for functional connectivity: Theory and implementation
Authors: Mueller Sophia , Wang Danhong , Fox Michael D. , Pan Ruiqi , Lu Jie , Li Kuncheng , Sun Wei , Buckner Randy L. , Liu Hesheng
Published: August 2015

Network properties can be estimated using functional connectivity MRI (fcMRI). However, regional variation of the fMRI signal causes systematic biases in network estimates including correlation attenuation in regions of low measurement reliability. Here we computed the spatial distribution of fcMRI reliability using longitudinal fcMRI datasets and demonstrated how pre‐estimated reliability maps can correct for correlation attenuation. As a test case of reliability‐based attenuation correction we estimated properties of the default network, where reliability was significantly lower than average in the medial temporal lobe and higher in the posterior medial cortex, heterogeneity that impacts estimation of the network. Accounting for this bias using attenuation correction revealed that the medial temporal lobe's contribution to the default network is typically underestimated. To render this approach useful to a greater number of datasets, we demonstrate that test‐retest reliability maps derived from repeated runs within a single scanning session can be used as a surrogate for multi‐session reliability mapping. Using data segments with different scan lengths between 1 and 30 min, we found that test‐retest reliability of connectivity estimates increases with scan length while the spatial distribution of reliability is relatively stable even at short scan lengths. Finally, analyses of tertiary data revealed that reliability distribution is influenced by age, neuropsychiatric status and scanner type, suggesting that reliability correction may be especially important when studying between‐group differences. Collectively, these results illustrate that reliability‐based attenuation correction is an easily implemented strategy that mitigates certain features of fMRI signal nonuniformity. Hum Brain Mapp, 2015. © 2015 Wiley Periodicals, Inc.