bluuebunny/crossref_metadata_2025 huggingface dataset:
Determination of fluoxetine in pharmaceutical and biological samples based on the silver nanoparticle enhanced fluorescence of fluoxetine–terbium complex
Authors: Lotfi Ali , Manzoori Jamshid L.
Published: March 2016

In this study, a simple and sensitive spectrofluorimetric method is presented for the determination of fluoxetine based on the enhancing effect of silver nanoparticles (AgNPs) on the terbium–fluoxetine fluorescence emission. The AgNPs were prepared by a simple reduction method and characterized by UV–Vis spectroscopy and transmission electron microscopy. It was indicated that these AgNPs have a remarkable amplifying effect on the terbium‐sensitized fluorescence of fluoxetine. The effects of various parameters such as AgNP and Tb3+ concentration and the pH of the media were investigated. Under obtained optimal conditions, the fluorescence intensity of the terbium–fluoxetine–AgNP system was enhanced linearly by increasing the concentration of fluoxetine in the range of 0.008 to 19 mg/L. The limit of detection (b + 3s) was 8.3 × 10‐4 mg/L. The interference effects of common species found in real samples were also studied. The method had good linearity, recovery, reproducibility and sensitivity, and was satisfactorily applied for the determination of fluoxetine in tablet formulations, human urine and plasma samples. Copyright © 2016 John Wiley & Sons, Ltd.
Generation and characterization of bovine bone marrow‐derived macrophage cell line
Authors: Xiao Jiajia , Xie Rongxia , Li Qiaoqiao , Chen Wuju , Zhang Yong
Published: March 2016

Macrophages, as the forefront of innate immune defense, have an important role in the host responses to mycobacterial infection. Therefore, a stable macrophage cell line is needed for future bovine immune system research on the bacterial infection. In this study, we established a bovine macrophage cell line by introducing the human telomerase reverse transcriptase (hTERT) gene into bovine bone marrow‐derived macrophages (bBMMs). The TERT‐bBMMs cells expressed macrophage surface antigen (CD11b, CD282) and upregulated expression of the cytokines IL‐1β, IL‐6, IL‐10, IL‐12, TNF‐α in response to bacterial invasion. These results demonstrate that this cell line provide reliable cell model system for future studies on interactions between the bovine macrophages and Mycobacterium tuberculosis.
Alumina‐Supported Metal Catalysts inside a Mesoporous Aluminum‐Silicate Shell: Nanoscale Reactors Prepared through the Transformation of MIL‐96(Al) Nanocrystals
Authors: Zhou Yao , Zeng Hua Chun
Published: March 2016

Permeable mesoporous shells with a hollow interior are an important class of materials for the design and synthesis of nanoscale reactors and delivery vehicles. We started from Al‐based metal–organic framework MIL‐96(Al) nanocrystals, and herein we report a transformative method to prepare submicron reactors in which metal and metal oxide nanoparticles (NPs) are supported by γ‐Al2O3 nanosheets and confined within a thin shell of mesoporous Al‐silicate (i.e., NPs/Al2O3@mAl‐silicate). As an example, such Pd/Al2O3@mAl‐silicate nanoreactors demonstrate a much higher catalytic stability than Pd protected within the hollow mAl‐silicate nanoshell and Pd supported on commercial Al2O3. As γ‐Al2O3 is an important catalyst support, such robust catalyst devices promise broad applications in catalysis.
Platinum‐Containing Polyoxometalates: syn‐ and anti‐[PtII2(α‐PW11O39)2]10− and Formation of the Metal–Metal‐Bonded di‐PtIII Derivatives
Authors: Lin Zhengguo , Izarova Natalya V. , Kondinski Aleksandar , Xing Xiaolin , Haider Ali , Fan Linyuan , Vankova Nina , Heine Thomas , Keita Bineta , Cao Jie , Hu Changwen , Kortz Ulrich
Published: March 2016

The first examples of dimeric, di‐PtII‐containing heteropolytungstates are reported. The two isomeric di‐platinum(II)‐containing 22‐tungsto‐2‐phosphates [anti‐PtII2(α‐PW11O39)2]10− (1 a) and [syn‐PtII2(α‐PW11O39)2]10− (2 a) were synthesized in aqueous pH 3.5 medium using one‐pot procedures. Polyanions 1 a and 2 a contain a core comprising two face‐on PtO4 units, with a Pt⋅⋅⋅Pt distance of 2.9–3 Å. Both polyanions were investigated by single‐crystal XRD, IR, TGA, UV/Vis, 31P NMR, ESI‐MS, CID‐MS/MS, electrochemistry, and DFT. On the basis of DFT and electrochemistry, we demonstrated that the {Pt2II} moiety in 1 a and 2 a can undergo fully reversible two‐electron oxidation to {Pt2III}, accompanied by formation of a single Pt−Pt bond. Hence we have discovered the novel subclass of PtIII‐containing heteropolytungstates.
ChemInform Abstract: V2O2F4 (H2O)2·H2O: A New V4+ Layer Structure Related to VOF3.
Authors: Black Cameron , Lightfoot Philip
Published: March 2016

Single crystals of the title compound are prepared by hydrothermal reaction of VF3 and H2SeO3 in ethylene glycol/HF (40%) in the presence of Et2NH (autoclave, 393 K, 4 d).
ChemInform Abstract: Synthesis, Crystal Structure, and Physical Properties of the Gd3BiO3 and Gd8Bi3O8 Phases.
Authors: Forbes Scott , Yuan Fang , Kosuda Kosuke , Kolodiazhnyi Taras , Mozharivskyj Yurij
Published: March 2016

Since Gd3BiO3 (I) is only observed as a minor impurity, Gd8Bi3O8 (II) is prepared by solid state reaction of a 1:1 molar mixture of GdBi and Gd2O3 (Ta ampoules in Mo susceptor under vacuum, 1300 °C, 24 h).
ChemInform Abstract: Structures and Magnetic Properties of New Fluorite‐Related Quaternary Rare Earth Oxides LnY2TaO7 and LaLn2RuO7 (Ln: Rare Earths).
Authors: Hinatsu Yukio , Doi Yoshihiro
Published: March 2016

Polycrystalline samples of LnY2TaO7 (Ln: La—Dy) are prepared by repeated firing of stoichiometric amounts of Ln2O3 (Pr6O11 and Tb4O7), Y2O3, and Ta2O5 in air (1400—1600 °C, 12 h).
ChemInform Abstract: RNi8Si3 (R: Gd, Tb): Novel Ternary Ordered Derivatives of the BaCd11 Type.
Authors: Pani M. , Morozkin A. V. , Yapaskurt V. O. , Provino A. , Manfrinetti P. , Nirmala R. , Malik S. K.
Published: March 2016

The title compounds are prepared by arc melting of stoichiometric amounts of the elements under Ar followed by annealing (Ta foil in evacuated silica tubes, 1273 K, 5—7 d).
ChemInform Abstract: Li2C2, a High‐Capacity Cathode Material for Lithium Ion Batteries.
Authors: Tian Na , Gao Yurui , Li Yurong , Wang Zhaoxiang , Song Xiaoyan , Chen Liquan
Published: March 2016

Orthorhombic Li2C2 as a potential cathode material for Li batteries is prepared by spark plasma sintering (SPS) of a 1.07:1 mixture of Li and C powder under vacuum (1.6 x 10‐2 Pa, 600 °C, 1 h) followed by a second SPS consolidation step at 300 MPa (350 °C, 2 min).
ChemInform Abstract: In Search of the Elusive IrB2: Can Mechanochemistry Help?
Authors: Xie Zhilin , Blair Richard G. , Orlovskaya Nina , Cullen David A. , Lapidus Saul H. , Kata Dariusz , Rutkowski Pawel , Lis Jerzy
Published: March 2016

Previously unknown hexagonal ReB2‐type IrB2 is mechanochemically produced along with new orthorhombic IrB and IrB1.35 (weight fraction of 9.2:5.2:85.6%) by high energy ball milling of the elements in the molar ratio Ir:B = 1:3 (30 h) followed by annealing (1050 °C, 48 h) for the removal of strain induced during ball milling.
ChemInform Abstract: Copper‐Promoted Cycloaddition of α‐Methylenyl Isocyanides with Benzothiazoles: Tunable Access to Benzo[d]imidazothiazoles.
Authors: Wang Jian , Li Jing , Zhu Qiang
Published: March 2016

Depending on the substituent at C‐2 either benzo[d]imidazo[2,1‐b]thiazol or benzo[d]imidazo[5,1‐b]thiazol derivatives are accessible.
ChemInform Abstract: Rice Husk Derived Nanosilica Supported Cu(II) Complex: An Efficient Heterogeneous Catalyst for Oxidation of Alcohols Using TBHP.
Authors: Gogoi Nibedita , Begum Tahshina , Dutta Smarika , Bora Utpal , Gogoi Pradip K.
Published: March 2016

Various primary and secondary alcohols are oxidized using a novel heterogenized catalyst of Cu(II) complex immobilized onto nanosilica obtained from rice husk.
ChemInform Abstract: Transition‐Metal‐Mediated Synthesis of Trifluoroethyl Aryl Ethers.
Authors: Huang Yangjie , Huang Ronglu , Weng Zhiqiang
Published: March 2016

The copper(I)‐mediated reaction delivers trifluoroethyl, pentafluoropropyl‐, and tetrafluoropropylaryl‐, and a broad range of hetarylethers in generally high yields.
ChemInform Abstract: Catalyst‐Free Regioselective C‐3 Thiocyanation of Imidazopyridines.
Authors: Yang Daoshan , Yan Kelu , Wei Wei , Li Guoqing , Lu Shenglei , Zhao Caixia , Tian Laijin , Wang Hua
Published: March 2016

A direct approach for the highly regioselective thiocyanation of imidazoheterocycles through C—H functionalization is realized.
ChemInform Abstract: Photocatalytic C—F Alkylation; Facile Access to Multifluorinated Arenes.
Authors: Singh A. , Kubik J. J. , Weaver J. D.
Published: March 2016

The photocatalytic reductive alkylation of pentafluorides such as (I) and (IV) with alkenes in the presence of 1.2 equiv.
ChemInform Abstract: Dimethylzinc‐Initiated Radical Coupling of β‐Bromostyrenes with Ethers and Amines.
Authors: Soelvhoej Amanda , Ahlburg Andreas , Madsen Robert
Published: March 2016

The MnCl2‐catalyzed reaction of β‐bromostyrene with ethers (II) and (VII) as a reactant and solvent affords pure (E)‐adducts (III) and (VIII), resp., in moderate to good yields.
ChemInform Abstract: Palladium‐Catalyzed Carbonylation of Aryl Iodides with Sulfinamides.
Authors: Belfrage Anna Karin , Wakchaure Prasad , Larhed Mats , Sandstroem Anja
Published: March 2016

A procedure for the Pd‐catalyzed coupling of sufinamides with aryl iodides and carbon monoxide is presented to give acyl‐sulfinamides.
ChemInform Abstract: B(OCH2CF3)3‐Mediated Direct Amidation of Pharmaceutically Relevant Building Blocks in Cyclopentyl Methyl Ether.
Authors: Karaluka Valerija , Lanigan Rachel M. , Murray Paul M. , Badland Matthew , Sheppard Tom D.
Published: March 2016

An improved procedure is developed for the direct amidation with B(OCH2CF3)3 using cyclopentyl methyl ether as the solvent.
ChemInform Abstract: An Efficient One‐Pot Conversion of Boc‐Protected Adenines to N6‐Ureas.
Authors: Machicao Paulo A. , Peterson Matt A. , Schols Dominique
Published: March 2016

The reaction products are screened for antiproliferative activity against a panel consisting of L1210, CEM, and HeLa cells.
ChemInform Abstract: A Rapid and Selective Synthesis of α,α‐Fluorohalo Esters via Fluorohalogenative or Difluorinative Hydration of Ynol Ethers.
Authors: Hu Liang , Che Chao , Tan Ze , Zhu Gangguo
Published: March 2016

The selective trifunctionalization of CC triple bonds of ynol ethers (I) via Selectfluor‐mediated fluorohalogenative or difluorinative hydration is described.
ChemInform Abstract: Radical Solution to the Alkylation of the Highly Base‐Sensitive 1,1‐Dichloroacetone. Application to the Synthesis of Z‐Alkenoates and E,E‐Dienoates.
Authors: Anthore Lucile , Li Shiguang , White Lorenzo V. , Zard Samir Z.
Published: March 2016

The reaction of xanthate (I) and various alkenes can provide the access to functionalized gem‐α‐dichloroketones [e.g. (III)], which can be further derived to alkenoates [e.g. (VI) and (VIII)] and dienoates [e.g. (IX)].
ChemInform Abstract: Iron(III)‐Catalyzed Cycloisomerizations of Acetal—Vinylidenecyclopropanes: An Efficient Synthetic Route to 1,2‐Disubstituted Cyclobutenes.
Authors: Yang Song , Yuan Wei , Xu Qin , Shi Min
Published: March 2016

The Fe‐catalyzed cycloisomerization of vinylidenecyclopropanes in the presence of acetyl halide leads to 1,2‐disubstituted cyclobutenes such as (II)/(III), (V)/(VI), and (IX)/(X).
ChemInform Abstract: Ruthenium(II)‐Catalyzed C—H Functionalizations with Allenes: Versatile Allenylations and Allylations.
Authors: Nakanowatari Sachiyo , Ackermann Lutz
Published: March 2016

The allenylation of N‐methoxybenzamides (I), (IV), and (VI) is accompanied by cleavage of the directing group to afford 2‐allenyl benzamides.
ChemInform Abstract: A Strained Disilane‐Promoted Carboxylation of Organic Halides with CO2 under Transition‐Metal‐Free Conditions.
Authors: Mita Tsuyoshi , Suga Kenta , Sato Kaori , Sato Yoshihiro
Published: March 2016

The carboxylation of a wide range of organic iodides (40 examples) proceeds at an ambient CO2 atmosphere at room temperature within 2 hours.
ChemInform Abstract: Silica Supported Palladium‐Phosphine as a Reusable Catalyst for Alkoxycarbonylation and Aminocarbonylation of Aryl and Heteroaryl Iodides.
Authors: Mane Rajendra Shivaji , Sasaki Takehiko , Bhanage Bhalchandra Mahadeo
Published: March 2016

The catalyst can be reused up to five cycles without loss of catalytic activity and selectivity.
ChemInform Abstract: Palladium‐Catalyzed Cross‐Coupling Reaction of Azides with Isocyanides.
Authors: Zhang Zhen , Li Zongyang , Fu Bin , Zhang Zhenhua
Published: March 2016

The cross‐coupling reaction of isocyanides (II) with aryl, heteroaryl, benzyl, and alkyl azides leads to a variety of unsymmetrical carbodiimides in moderate to high yields.
ChemInform Abstract: Synthesis of Biaryls via Benzylic C—C Bond Cleavage of Styrenes and Benzyl Alcohols.
Authors: Kumar Arvind , Shah Bhahwal Ali
Published: March 2016

The metal‐free oxidative coupling of styrenes or benzylic alcohols with benzene tolerates multiple functional groups and delivers the products in moderate yields.
ChemInform Abstract: One‐Pot Catalysis Using a Chiral Iridium Complex/Broensted Base: Catalytic Asymmetric Synthesis of Catalponol.
Authors: Suzuki Takeyuki , Ismiyarto Takeyuki , Ishizaka Yuka , Zhou Da‐Yang , Asano Kaori , Sasai Hiroaki
Published: March 2016

Based on a tandem oxidation/aldol condensation reaction meso‐1,4‐tetralinediol is efficiently converted according to the title reaction.
ChemInform Abstract: Visible‐Light‐Promoted Photoredox Syntheses of α,β‐Epoxy Ketones from Styrenes and Benzaldehydes under Alkaline Conditions.
Authors: Li Jing , Wang David Zhigang
Published: March 2016

The title synthesis proceeds under synergistic actions of photocatalyst RuCl2(bipy)3.
ChemInform Abstract: Quaternary Stereogenic Centers Through Enantioselective Heck Arylation of Acyclic Olefins with Aryldiazonium Salts: Application in a Concise Synthesis of (R)‐Verapamil.
Authors: Oliveira Caio C. , Pfaltz Andreas , Correia Carlos Roque Duarte
Published: March 2016

Novel chiral N,N ligands of the pyrimidine‐ and pyrazino‐oxazoline class are developed providing good to high enantioselectivities of the Heck reaction products.
ChemInform Abstract: The Iodine‐Mediated Highly Regioselective Synthesis of Angular and Linear Naphthofuroquinones.
Authors: Liu Suyou , Long Lijun , Xie Duoduo , Liu Lijun , Ma Dayou
Published: March 2016

A simple protocol for the iodine‐mediated cyclization of naphthoquinones (I) to afford angularly fused naphthofuroquinones (II) is developed.
ChemInform Abstract: Zn(OTf)2 Promoted Rearrangement of 1,2‐Cyclopropanated Sugars with Amines: A Convenient Method for the Synthesis of 3‐Polyhydroxyalkyl‐Substituted Pyrrole Derivatives.
Authors: Shen Xudong , Xia Jianhui , Liang Peng , Ma Xiaofeng , Jiao Wei , Shao Huawu
Published: March 2016

A rearrangement reaction of cyclopropanated sugars with alkylamines and arylamines promoted by 20 mol% of Zn(OTf)2 is reported.
ChemInform Abstract: An Exclusively trans‐Selective Chlorocarbamoylation of Alkynes Enabled by a Palladium/Phosphaadamantane Catalyst.
Authors: Le Christine M. , Hou Xiao , Sperger Theresa , Schoenebeck Franziska , Lautens Mark
Published: March 2016

For the first time, a highly efficient transition‐metal‐catalyzed atom‐economic chlorocarbamoylation reaction is reported to give access to pharmaceutically relevant methylene oxindoles, which are all obtained with E:Z selectivities <99:1.
ChemInform Abstract: Novel 2‐Oxoindoline‐Based Hydroxamic Acids: Synthesis, Cytotoxicity, and Inhibition of Histone Deacetylation.
Authors: Nam Nguyen‐Hai , et al.
Published: March 2016

A short three‐step sequence is developed for hydroxamic acids (IV) and (VI).
ChemInform Abstract: Catalytic Asymmetric Nazarov Cyclization of Heteroaryl Vinyl Ketones Through a Crystallographically Defined Chiral Dinuclear Nickel Complex.
Authors: Takeda Takuya , Harada Shinji , Nishida Atsushi
Published: March 2016

Various pyrrole vinyl ketone derivatives are cyclized in generally very high yields and with very diastereomeric and high enantiomeric excesses.
ChemInform Abstract: N‐Imidazolylation of Sulfoximines from N‐Cyano Sulfoximines, 1‐Alkynes, and N‐Sulfonyl Azides.
Authors: Kim Sanghyuck , Kim Ji Eun , Lee Jinsub , Lee Phil Ho
Published: March 2016

The Rh‐catalyzed N‐imidazolylation of N‐sulfonyl‐1,2,3‐triazoles with several N‐cyano sulfoximines is studied.
ChemInform Abstract: Palladium‐Catalyzed ortho‐Nitration of 2‐Arylbenzoxazoles.
Authors: Qiao Hui‐Jie , Yang Fan , Wang Shi‐Wei , Leng Yu‐Ting , Wu Yang‐Jie
Published: March 2016

This method tolerates a variety of electron‐donating and electron‐withdrawing substituents in the 2‐aryl substituent.
ChemInform Abstract: Organocatalyzed Multicomponent Synthesis of Isoxazolidin‐5‐ones.
Authors: Berini Christophe , Sebban Muriel , Oulyadi Hassan , Sanselme Morgane , Levacher Vincent , Briere Jean‐Francois
Published: March 2016

DABCO‐catalyzed three‐component reaction of Meldrum′s acid, N‐protected hydroxylamines and alkyl or aryl aldehydes gives the title compounds in good to high yields.
ChemInform Abstract: Organocatalytic Oxidative Amidation of Aldehydes with Tetrazoles to Construct 2,5‐Diaryl 1,3,4‐Oxadiazoles.
Authors: Cao Jing , Wang Liang
Published: March 2016

The gram‐scale reaction is also realized.
ChemInform Abstract: Acid‐Mediated [3 + 3] Cycloaddition of α‐EWG‐α‐Formyl Ketene‐S,S‐acetals and α‐Carbamoyl Ketene‐S,S‐acetals: A New Approach to 2‐Pyridone Derivatives.
Authors: Han Xiao‐Dan , Wang Hui‐Bin , Hu Ju‐Wu , Xiong Wei , Fu Jian‐Ping , Zhu Ren‐Guo , Deng Zhao‐Yang , Xu Guo‐Liang , Li Xiong‐Hui
Published: March 2016

This novel 2‐pyridone synthesis involves sequential Baylis—Hillman reaction, intramolecular cycloaddition, Michael addition, followed by an alkylthiol elimination process.
ChemInform Abstract: A One‐Pot Construction of Acridones by Rhodium Catalyzed Reaction of N‐Phenyl‐2‐(1‐sulfonyl‐1H‐1,2,3‐triazol‐4‐yl)aniline.
Authors: Xu Hua‐Dong , Pan Ying‐Peng , Ren Xin‐Tao , Zhang Ping , Shen Mei‐Hua
Published: March 2016

The construction of acridones involves a rhodium catalyzed decomposition of triazoles (I) and (III) to the corresponding rhodium carbenes followed by cyclization and oxidation.
ChemInform Abstract: A Sustainable Multicomponent Pyrimidine Synthesis.
Authors: Deibl Nicklas , Ament Kevin , Kempe Rhett
Published: March 2016

An Ir‐catalyzed three‐component coupling of a secondary alcohol, a primary alcohol, and an amidine is established to give a variety of tri‐ and tetrasubstituted pyrimidines.
ChemInform Abstract: Pd/C‐Catalyzed Carbonylative C—H Activation with DMF as the CO Source.
Authors: Chen Jianbin , Natte Kishore , Wu Xiao‐Feng
Published: March 2016

N‐Arylpyridin‐2‐amines are converted into quinazolinone derivatives in moderate to good yields via carbonylative cyclization.
ChemInform Abstract: Electrophile‐Mediated Reactions of Functionalized Propargylic Substrates.
Authors: Urbanaite Aurelija , Jonusis Mantas , Buksnaitiene Rita , Balkaitis Simonas , Cikotiene Inga
Published: March 2016

Substrates of type (I) having propargyl moieties are found to undergo electrophile‐initiated ring‐closing reactions without the need for any transition‐metal catalyst.
ChemInform Abstract: Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids — Access to a Defined Configured Quaternary Stereogenic Center.
Authors: Richter Celin , Nguyen Trung Minh , Mahrwald Rainer
Published: March 2016

In this stereoselective multicomponent cascade reaction of ketoses with amino acids matched/mismatched situations occur.
ChemInform Abstract: Synthesis of Triborylalkenes from Terminal Alkynes by Iridium‐Catalyzed Tandem C—H Borylation and Diboration.
Authors: Lee Chun‐I , Shih Wei‐Chun , Zhou Jia , Reibenspies Joseph H. , Ozerov Oleg V.
Published: March 2016

The two‐step approach for the synthesis of triborylalkenes starts with the conversion of terminal alkynes and pinacolborane (HBpin) into alkynylboronate catalyzed by a SiNN pincer ligand supported iridium complex, followed by treatment of the reaction mixture with CO for the generation of a new catalyst.
ChemInform Abstract: Facile, Catalytic Dehydrocoupling of Phosphines Using β‐Diketiminate Iron(II) Complexes.
Authors: King Andrew K. , Buchard Antoine , Mahon Mary F. , Webster Ruth L.
Published: March 2016

The iron complex DKIF is prepared and successfully applied as catalyst for the dimerization of primary phosphine (I) and secondary phosphines (III) as well as for the hydrophosphination of alkenes (V).
ChemInform Abstract: Structurally Novel C17‐Sesquiterpene Lactones from Ainsliaea pertyoides.
Authors: Shi Zhi‐Ran , Shen Yun‐Heng , Zhang Xian‐Yuan , Fang Xin , Zeng Ren‐Tao , Liu Qing‐Xin , Zhuo Zhi‐Guo , Feng Feng , Zhang Wei‐Dong
Published: March 2016

Pertyolides A (I) and B (II) are isolated together with fifteen known sesquiterpene lactones.
ChemInform Abstract: Luakuliides A—C, Cytotoxic Labdane Diterpenes from a Tongan Dictyoceratid Sponge.
Authors: Barber Jacqueline M. , Leahy Dora C. , Miller John H. , Northcote Peter T.
Published: March 2016

isolation and structure elucidation of luakuliide A (Ia) and its methyl acetal (Ib), luakuliides B (II), and C (III)
ChemInform Abstract: One‐Pot Synthesis of Hydrophobically Modified Iminosugar C‐Alkynylglycosides: Facile Synthesis of Polyhydroxy Tetrahydroindolizines.
Authors: Senthilkumar Soundararasu , Prasad Sure Siva , Das Amrita , Baskaran Sundarababu
Published: March 2016

The reaction of D‐ribose tosylate (I) with allyl amine followed by a Cu‐catalyzed reaction with terminal alkynes (III) gives rise to new iminosugar β‐C‐alkynylglycosides (IV), which are readily converted into novel 1‐vinyl‐tetrahydroindolizine DNA‐cross‐linking agents (V).
ChemInform Abstract: Synthetic Studies on Indolocarbazoles: A Facile Synthesis of Staurosporinone Analogues.
Authors: Raju Potharaju , Gobi Rajeshwaran Ganesan , Mohanakrishnan Arasambattu K.
Published: March 2016

An efficient multi‐step route for the synthesis of staurosporin aglycon analogues (I) is developed starting from commercially available 2‐methylindole.
ChemInform Abstract: Novel Cytotoxic Isobenzofuran Derivatives from Streptomyces sp. IFM 11490.
Authors: Yixizhuoma Yixizhuoma , Tsukahara Kentaro , Toume Kazufumi , Ishikawa Naoki , Abdelfattah Mohamed S. , Ishibashi Masami
Published: March 2016

isolation and structure elucidation of elmonin (I), elmenol A (II), and B (III)
ChemInform Abstract: Inorganic Solid‐State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction
Authors: Bachman John Christopher , Muy Sokseiha
Published: March 2016

Review: 208 refs.
ChemInform Abstract: Natural Phenolic Metabolites with anti‐Angiogenic Properties — A Review from the Chemical Point of View
Authors: Sun Qiu , Heilmann Joerg , Koenig Burkhard
Published: March 2016

Review: [101 refs.
ChemInform Abstract: Dicarboxylic Esters: Useful Tools for the Biocatalyzed Synthesis of Hybrid Compounds and Polymers
Authors: Bassanini Ivan , Hult Karl , Riva Sergio
Published: March 2016

Review: [80 refs.
ChemInform Abstract: Polythiophene and Oligothiophene Systems Modified by TTF Electroactive Units for Organic Electronics
Authors: Kanibolotsky Alexander L. , Findlay Neil J. , Skabara Peter J.
Published: March 2016

Review: [87 refs.
ChemInform Abstract: Recent Applications of Ring‐Rearrangement Metathesis in Organic Synthesis
Authors: Kotha Sambasivarao , Meshram Milind , Khedkar Priti , Banerjee Shaibal , Deodhar Deepak
Published: March 2016

Review: [71 refs.
ChemInform Abstract: Olefin Metathesis in Air
Authors: Piola Lorenzo , Nahra Fady , Nolan Steven P
Published: March 2016

Review: [79 refs.
ChemInform Abstract: Recent Developments in Copper‐Catalyzed Radical Alkylations of Electron‐Rich π‐Systems
Authors: Shimkin Kirk W. , Watson Donald A.
Published: March 2016

Review: [41 refs.
ChemInform Abstract: Synthesis of Xenia Diterpenoids and Related Metabolites Isolated from Marine Organisms
Authors: Huber Tatjana , Weisheit Lara , Magauer Thomas
Published: March 2016

Review: [71 refs.
ChemInform Abstract: Carbon—Carbon Bond Cleavage for Cu‐Mediated Aromatic Trifluoromethylations and Pentafluoroethylations
Authors: Sugiishi Tsuyuka , Amii Hideki , Aikawa Kohsuke , Mikami Koichi
Published: March 2016

Review: [54 refs.
ChemInform Abstract: Recent Advances in Metathesis‐Derived Polymers Containing Transition Metals in the Side Chain
Authors: Dragutan Ileana , Dragutan Valerian , Simionescu Bogdan C. , Demonceau Albert , Fischer Helmut
Published: March 2016

Review: [70 refs.
ChemInform Abstract: Applications of C—H Insertion Reaction in Total Synthesis of Biologically Active Heterocyclic Natural Products
Authors: Kan Toshiyuki , Asakawa Tomohiro , Inai Makoto
Published: March 2016

Review: [35 refs.
ChemInform Abstract: The Oxidation of Pyrrole
Authors: Howard James K. , Rihak Kieran J. , Bissember Alex C. , Smith Jason A.
Published: March 2016

Review: [summary of all work up until the present day in the area of pyrrole oxidation by a range of oxidants; 70 refs.
ChemInform Abstract: A Half‐Century Odyssey in the Realm of Reactive Intermediates
Authors: Moss Robert A.
Published: March 2016

Review: 49 refs.
ChemInform Abstract: Physical Organic Chemistry—Development and Perspectives
Authors: Mayr Herbert
Published: March 2016

Review: 50 refs.
ChemInform Abstract: A Cyclotriborane Dianion and the Triboron Cation: “Light Ends” of the Hueckel Rule
Authors: Wrackmeyer Bernd
Published: March 2016

Review: [24 refs.
ChemInform Abstract: Organic Solvent Effects in Biomass Conversion Reactions
Authors: Shuai Li , Luterbacher Jeremy
Published: March 2016

Review: 257 refs.
ChemInform Abstract: Peptide‐Based Synthetic Vaccines
Authors: Skwarczynski Mariusz , Toth Istvan
Published: March 2016

Review: 95 refs.
ChemInform Abstract: Selected Organophosphorus Compounds with Biological Activity. Applications in Medicine
Authors: Demkowicz Sebastian , Rachon Janusz , Dasko Mateusz , Kozak Witold
Published: March 2016

Review: 121 refs.
ChemInform Abstract: Recent Advances in Composite Membranes Modified with Inorganic Nanoparticles for High‐Performance Lithium Ion Batteries
Authors: Cheng Qiaohuan , He Wen , Zhang Xudong , Li Mei , Song Xin
Published: March 2016

Review: 124 refs.
ChemInform Abstract: Bioinspired Polymer Vesicles and Membranes for Biological and Medical Applications
Authors: Palivan Cornelia G. , Goers Roland , Najer Adrian , Zhang Xiaoyan , Car Anja , Meier Wolfgang
Published: March 2016

Review: 293 refs.
ChemInform Abstract: Nanostrucure Formation Based on the Functionalized Side Chains in Liquid‐Crystalline Heteroaromatic Compounds
Authors: Funahashi Masahiro , Seki Atsushi
Published: March 2016

Review: [62 refs.
ChemInform Abstract: Coumarin—Chalcone Hybrids: Promising Agents with Diverse Pharmacological Properties
Authors: Wei Han , Ruan Jinlan , Zhang Xiaojian
Published: March 2016

Review: systematic summary on natural and synthetic coumarin—chalcone hybrids as interesting template for medicinal chemists; 78 refs.
ChemInform Abstract: Potential and Challenges of Zeolite Chemistry in the Catalytic Conversion of Biomass
Authors: Ennaert Thijs , Van Aelst Joost , Dijkmans Jan , De Clercq Rik , Schutyser Wouter , Dusselier Michiel , Verboekend Danny , Sels Bert F.
Published: March 2016

Review: 421 refs.
ChemInform Abstract: A Multicomponent Molecular Approach to Artificial Photosynthesis — The Role of Fullerenes and Endohedral Metallofullerenes
Authors: Rudolf M. , Kirner S. V. , Guldi D. M.
Published: March 2016

Review: 142 refs.
ChemInform Abstract: The Precipitation Behavior of Poorly Water‐Soluble Drugs with an Emphasis on the Digestion of Lipid Based Formulations
Authors: Khan Jamal , Rades Thomas , Boyd Ben
Published: March 2016

Review: 95 refs.
ChemInform Abstract: Multifunctional Nanocatalysts for Tandem Reactions: A Leap Toward Sustainability
Authors: Jagadeesan Dinesh
Published: March 2016

Review: progress in this area of research done in the last five years; 262 refs.
ChemInform Abstract: Interplay of Structure and Dynamics in Functional Macromolecular and Supramolecular Systems as Revealed by Magnetic Resonance Spectroscopy
Authors: Hansen Michael Ryan , Graf Robert , Spiess Hans Wolfgang
Published: March 2016

Review: 356 refs.
ChemInform Abstract: The Latest Developments in the Analytical Sensing of Methane
Authors: Kamieniak Joanna , Randviir Edward P. , Banks Craig E.
Published: March 2016

Review: 114 refs.
Development of deformable connection for earthquake‐resistant buildings to reduce floor accelerations and force responses
Authors: Tsampras Georgios , Sause Richard , Zhang Dichuan , Fleischman Robert B. , Restrepo Jose I. , Mar David , Maffei Joseph
Published: March 2016

This paper presents the development of a deformable connection that is used to connect each floor system of the flexible gravity load resisting system (GLRS) with the stiff lateral force resisting system (LFRS) of an earthquake‐resistant building. It is shown that the deformable connection acts as a seismic response modification device, which limits the lateral forces transferred from each floor to the LFRS and allows relative motion between the GLRS and LFRS. In addition, the floor accelerations and the LFRS story shears related to the higher‐mode responses are reduced. The dispersion of peak responses is also significantly reduced. Numerical simulations of the earthquake response of a 12‐story reinforced concrete shear wall example building with deformable connections are used to define an approximate feasible design space for the deformable connection. The responses of the example building model with deformable connections and the example building model with rigid‐elastic connections are compared. Two configurations of the deformable connection are studied. In one configuration, a buckling restrained brace is used as the limited‐strength load‐carrying hysteretic component of the deformable connection, and in the other configuration, a friction device is used. Low damping laminated rubber bearings are used in both configurations to ensure the out‐of‐plane stability of the LFRS and to provide post‐elastic stiffness to the deformable connection. Important experimental results from full‐scale tests of the deformable connections are presented and used to calibrate numerical models of the connections. Copyright © 2016 John Wiley & Sons, Ltd.
A Comparison of the Forecasting Ability of Immediate Price Impact Models
Authors: Pham Manh Cuong , Duong Huu Nhan , Lajbcygier Paul
Published: March 2016

As a consequence of recent technological advances and the proliferation of algorithmic and high‐frequency trading, the cost of trading in financial markets has irrevocably changed. One important change, known as price impact, relates to how trading affects prices. Price impact represents the largest cost associated with trading. Forecasting price impact is very important as it can provide estimates of trading profits after costs and also suggest optimal execution strategies. Although several models have recently been developed which may forecast the immediate price impact of individual trades, limited work has been done to compare their relative performance. We provide a comprehensive performance evaluation of these models and test for statistically significant outperformance amongst candidate models using out‐of‐sample forecasts. We find that normalizing price impact by its average value significantly enhances the performance of traditional non‐normalized models as the normalization factor captures some of the dynamics of price impact. Copyright © 2016 John Wiley & Sons, Ltd.
Estimation of Market Information Shares: A Comparison
Authors: Lien Donald , Wang Zijun
Published: March 2016

This note investigates via Monte Carlo simulation the finite‐sample performance of two identification schemes that provide unique measures of Hasbrouck‐type information share in price discovery. The Lien and Shrestha (2009) method is based on factorization of the full correlation matrix and the Grammig and Peter (2013) method is based on different correlations of price innovations in the tails and in the center of the distributions. We find that the GP method performs poorly under the chosen data generation processes. The LS method provides at most marginal improvement over the method based upon the upper/lower bound midpoint of the Hasbrouck measure. The results, therefore, support the common practice of the midpoint approach. © 2016 Wiley Periodicals, Inc. Jrl Fut Mark 36:1108–1124, 2016
Synthesis of Multisubstituted Silyloxy‐based Donor‐Acceptor Cyclobutanes by an Acid‐Catalyzed [2+2] Cycloaddition
Authors: Takasu Kiyosei
Published: March 2016

This account summarizes our recent efforts on the acid‐catalyzed [2+2] cycloaddition of silyl enol ethers with α,β‐unsaturated esters, giving donor‐acceptor (D‐A) cyclobutanes and their related reactions. The cycloaddition generally produces multisubstituted cyclobutanes in good yields with high diastereoselectivity. We found that aluminum Lewis acids and triflic imide (Tf2NH) had good catalytic activity. The retro [2+2] cycloaddition proceeded at higher reaction temperatures, and in some cases, diastereoselectivity switching of cycloadducts was observed. A microflow protocol was established for Tf2NH‐catalyzed [2+2] cycloaddition. Although the cycloaddition usually requires cryogenic conditions in a batch reactor, the microreactor system enabled the production of D‐A cyclobutanes, even at ambient temperature. [2+2] Cycloaddition of allylsilanes and alkyl enol ethers, instead of silyl enol ethers, afforded the corresponding D‐A cyclobutanes.
Defining the possible therapeutic benefit of lymphadenectomy among patients undergoing hepatic resection for intrahepatic cholangiocarcinoma
Authors: Vitale Alessandro , Moustafa Mohamed , Spolverato Gaya , Gani Faiz , Cillo Umberto , Pawlik Timothy M.
Published: March 2016

Background

The aim of the study was to investigate the therapeutic role of lymphadenectomy (LND) in patients with intrahepatic cholangiocarcinoma.

Methods

826 patients who underwent liver resection were identified using the SEER database from 1988 to 2011. Two groups of patients were defined: 201 (24%) undergoing potentially therapeutic LND (group A, >3 lymph nodes (LN) removed), and 625 (76%) not receiving therapeutic LND (group B, ≤3 LNs removed). A propensity score analysis was performed to create a matched cohort of 402 patients (201 in either group). The survival benefit of therapeutic LND was also estimated using multivariate parametric analysis comparing two simulated cohorts of 826 patients.

Results

1‐, 3‐, and 5‐year survival rates were 71%, 37%, and 27% for group A patients, and 73%, 37%, and 27% for matched group B patients (P = 0.656). When simulation analysis was performed, a moderate survival benefit of LND of 5.46 months was calculated (95%CI, 4.64–6.29). Considerable differences in LND survival benefit predictions were found according to patient's sex (males, 9.90 vs. females 1.16 months), age (≤60 years, 15 vs. >60 years, −1.34 months), and tumor size (>50 mm, 9.20 vs. ≤50 mm, −0.28).

Conclusions

LND therapeutic benefit among a subset of patients. Future work is required to investigate the role of routine LND among these patients. J. Surg. Oncol. 2016;113:685–691. © 2016 Wiley Periodicals, Inc.
Assessment of the sensitizing capacity and allergenicity of enzymatic cross‐linked arginine kinase, the crab allergen
Authors: Fei Dan‐Xia , Liu Qing‐Mei , Chen Feng , Yang Yang , Chen Zhong‐Wei , Cao Min‐Jie , Liu Guang‐Ming
Published: March 2016

Scope

The enzymatic cross‐linking of an allergen by food processing may alter its sensitization potential. In this study, the IgE‐binding activity and allergenicity of cross‐linked thermal polymerized arginine kinase (CL‐pAK) were investigated.

Methods and results

The IgE‐binding activity and stability of CL‐pAK were analyzed by immunological and proteomics methods. The sensitization and potency to induce oral tolerance of CL‐pAK were tested using in vivo assays and a cell model. According to the results of inhibition of ELISA, the half inhibitory concentration of AK after cross‐linking changed from 1.13 to 228.36 μg/mL. The results of in vitro digestion demonstrated that CL‐pAK showed more resistance to gastrointestinal digestion than native AK. Low allergenicity and capacity to induce oral tolerance in mice were shown by the sera levels of AK‐specific antibodies and T‐cell cytokine production. Exposure of RBL‐2H3 cells to CL‐pAK compared with AK, resulted in lower levels of mast degranulation and histamine.

Conclusion

Enzymatic cross‐linking with thermal polymerization of AK by tyrosinase and caffeic acid had high potential in mitigating IgE‐binding activity and allergenicity, which were influenced by altering the molecular and immunological features of the shellfish protein.
Effects of clinically significant weight loss with exercise training on insulin resistance and cardiometabolic adaptations
Authors: Swift Damon L. , Johannsen Neil M. , Lavie Carl J. , Earnest Conrad P. , Blair Steven N. , Church Timothy S.
Published: March 2016

Objective

To determine response rates for clinically significant weight loss (CWL) following different aerobic exercise training amounts and whether enhanced cardiometabolic adaptations are observed with CWL compared to modest weight loss (MWL) or neither.

Methods

Participants (N = 330) performed 6 months of aerobic training at 4 kcal per kilogram per week (KKW), 8 KKW, or 12 KKW (50%, 100%, and 150% of recommended levels respectively). Weight loss was categorized as CWL (≥5%) or MWL (3.0% to 4.9%) or neither.

Results

The CWL response rate was greater in the 8 KKW group (20.2%, CI: 13.0% to 27.5%) compared to 4 KKW (10.3%, CI: 4.6% to 16.0%), but not compared to the 12 KKW group (14.6%, CI: 7.6% to 21.6%). Reductions in HOMA‐IR were observed in participants with CWL (−0.60, CI: −0.98 to −0.22) and with MWL (−0.48, CI: −0.87 to −0.10), but not those who achieved neither (−0.06, CI −0.22 to 0.10). No changes between groups were observed for cholesterol, fitness, or blood pressure.

Conclusions

Low response rates for CWL were observed following training, even at levels above recommended levels. Achieving MWL with exercise may represent a reasonable initial weight loss target since the improvement in insulin resistance with MWL is similar to what is achieved with CWL.
A qualitative study exploring health perceptions and factors influencing participation in health behaviors in colorectal cancer survivors
Authors: Hardcastle Sarah J. , Maxwell‐Smith Chloe , Zeps Nik , Platell Cameron , O'Connor Moira , Hagger Martin S.
Published: March 2016

Purpose

The purpose of the study was to explore colorectal cancer survivors' health perceptions following cessation of active treatment for cancer and to explore the factors influencing participation in health‐promoting behaviors that may help reduce cardiovascular disease risk.

Methods

Face‐to‐face interviews were conducted with participants that had completed active treatment for cancer within the previous 2 years. Participants were colorectal cancer survivors (N = 24, men = 11, women = 13, M age = 69.38 years, SD = 4.19) recruited from a private hospital in Perth, Australia on the basis that they had existing morbidities that put them at increased risk of cardiovascular disease. Interview transcripts were analyzed using thematic analysis.

Results

Five main themes emerged: back to normal; the pleasures in life: ‘is it worth it?’; beliefs about health behavior; skepticism of eating guidelines; and lack of motivation. The majority of participants felt they were in good health and had made a full recovery. Participants questioned whether it was worth changing their lifestyle given their life stage and referred to the desire to enjoy life. Lay health beliefs, skepticism of eating guidelines, and a lack of motivation were barriers to change.

Conclusions

Interventions should target lay beliefs and skepticism in relation to health behaviors in order to reinforce the importance and value of participating in health‐related behavior.

Implications for Cancer Survivors

Findings may inform the development of effective, patient‐centered interventions that target lay health beliefs and build motivation for health behavior change. Copyright © 2016 John Wiley & Sons, Ltd.
Manifestation of strong d‐p hybridization in photoluminescence spectra of ZnO:Ni and ZnO:Co
Authors: Sokolov V. I. , Gruzdev N. B. , Pustovarov V. A. , Churmanov V. N.
Published: March 2016

For the first time photoluminescence and photoluminescence excitation spectra for ZnO:Co and ZnO:Ni crystals were obtained at the excitation by the synchrotron radiation in the interval of energy of (3.7‐21) eV, T = 8 K. It is shown that these spectra are formed by intense radiative transitions through 3d charge transfer states in the band gap. This fact evidences about much stronger hybridization between d‐states of impurity and p‐states of anions in comparison with other II‐VI:3d compounds. It is very important for applications in optoelectronics, for visualization of ultraviolet radiation and understanding of photocatalytic activity of ZnO:3d nanocrystals in the visible region of the spectrum. From the comparison of PLE spectra for ZnO:Co and ZnO:Ni with the spectrum of calculated DOS for ZnO it is revealed a visible transformation of part of valence band states due to a strong d‐p hybridization. Obtained results allow us to consider ZnO:3d as a compounds with a strong correlations. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The local electron interaction with crystal defects in wurtzite CdS
Authors: Malyk Orest , Rodych Volodymyr , Il'Chuk Hryhoriy
Published: March 2016

In the present paper the interaction of electrons with different types of defects with the potential of the limited action radius – polar and nonpolar optical phonons, piezoelectric and acoustic phonons, static strain centers, ionized and neutral impurities – in cadmium sulfide is considered. The dopant concentration in observed CdS crystals was in the limits of 5.5×1015 ÷ 1.1×1019 cm‐3. The dependences of the electron mobility and Hall factor on temperature in the interval 10 ÷ 400 K are investigated. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Growth, structural and optical properties of ZnO/ZnMgO core‐shell heterostructures
Authors: Said Hassani S. A. , Sartel C. , Vilar C. , Amiri G. , Lusson A. , Sallet V. , Galtier P.
Published: March 2016

ZnO nanowires have been grown by metalorganic chemical vapor deposition on sapphire substrates. The use of N2O and DEZn as oxygen and zinc precursors combined with high temperature leads to the spontaneous growth of vertical ZnO nanowires (NWs) on underlying three dimensional islands present at the bottom of each nanowire. These nanowires are grown along the c axis of the wurtzite structure, exhibit well defined m‐plane facets and are free of extended defects. This configuration is favorable to band‐gap engineering studies. Based on this, we have grown a series of radial ZnO/ZnMgO shells and quantum wells with different thicknesses and Mg concentrations. ZnxMg1‐xO alloys have been grown using O2, (MCp)2Mg and DEZn as oxygen, magnesium and zinc precursors. Low temperature photoluminescence spectroscopy and transmission electron microscopy have assessed Mg concentrations in the shell up to 20%. Electron diffraction reveals that the ZnMgO alloyed structure is, at least partially, ordered. Micro‐photoluminescence performed on a single ZnO/ZnMgO coreshell nanowire including a quantum well exhibits luminescence properties, with a lateral quantum confined emission. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Empirical likelihood based detection procedure for change point in mean residual life functions under random censorship
Authors: Chen Ying‐Ju , Ning Wei , Gupta Arjun K.
Published: March 2016

The mean residual life (MRL) function is one of the basic parameters of interest in survival analysis that describes the expected remaining time of an individual after a certain age. The study of changes in the MRL function is practical and interesting because it may help us to identify some factors such as age and gender that may influence the remaining lifetimes of patients after receiving a certain surgery. In this paper, we propose a detection procedure based on the empirical likelihood for the changes in MRL functions with right censored data. Two real examples are also given: Veterans' administration lung cancer study and Stanford heart transplant to illustrate the detecting procedure. Copyright © 2016 John Wiley & Sons, Ltd.
Varied pathways for simulated tropical cyclone rapid intensification. Part II: Vertical motion and cloud populations
Authors: Harnos Daniel S. , Nesbitt Stephen W.
Published: March 2016

Differences in the vertical velocity characteristics associated with various cloud populations are evaluated for two simulated cases of tropical cyclone (TC) rapid intensification (RI) under varying wind shear. Within the radius of maximum wind (RMW), preceding RI in the low‐shear TC (hurricane Ike of 2008) increased updraught magnitudes for the top 1% of the distribution at 7 km occur, while in the high‐shear scenario (hurricane Earl of 2010) RI is led by increased updraught magnitudes of the top 1% of the distribution at 12 km. Three‐dimensional analyses of individual updraughts relative to their peak altitude enables direct quantification of processes associated with shallow cumuli, cumulus congestus, deep convection failing to penetrate the tropopause, and convective bursts (CBs). Mean profiles for each convective regime reveal positive contributions in certain variables of each updraught variety towards RI with positive diabatic heating, absolute vorticity, and moisture convergence roles.

Within the RMW, CBs are shown to be the primary diabatic heating and vertical mass and vapour flux contributors in both simulations, while Ike includes secondary contributions from deep convection and congestus in addition to noteworthy diabatic heating from apparent stratiform processes that act to spin up the mid‐level vortex. Inner‐core moisture convergence has divided contributions from shallow cumuli, cumulus congestus, and CBs. CBs act to enhance potential vorticity to the greatest amount and over the deepest vertical layer at low levels. The simulation results overwhelmingly support the aggregate importance of vertically developed deep convection and its associated ice processes to the initiation and maintenance of RI.
Update to ACE‐molecule: Projector augmented wave method on lagrange‐sinc basis set
Authors: Kang Sungwoo , Ryu Seongok , Choi Sunghwan , Kim Jaewook , Hong Kwangwoo , Kim Woo Youn
Published: March 2016

The projector augmented wave (PAW) method was implemented in a quantum chemistry package that uses Lagrange‐sinc basis set, namely ACE‐Molecule. Its numerical accuracy has been assessed for the AE6 test set and compared with that of Hartwigsen‐Goedecker‐Hutter type pseudopotentials with nonlinear core correction. The PAW method shows a rapid convergence toward complete basis set limits of all electron calculations, whereas the pseudopotential method has a significant deviation even at small grid spacing. To alleviate spurious egg‐box effects, the so‐called supersampling method is adopted to the operation of projector functions. It improved accuracy of total energy calculations at substantially large grid spacing but did not show significant difference in atomization energies from the results without supersampling, which is due to error cancellation. © 2016 Wiley Periodicals, Inc.