bluuebunny/crossref_metadata_2025 huggingface dataset:
A case of myelodysplastic syndrome/myeloproliferative neoplasm (MDS/MPN) successfully treated with lenalidomide
Authors: Islam Anwarul
Published: May 2015

Key Clinical Message

Lenalidomide is an immunomodulatory drug which is used to treat patients with MDS with deletion 5q chromosomal abnormality. In 2008, WHO introduced a new disease entity called MDS/MPN. No specific treatment for MDS/MPN subtype has yet been identified. We report a patient with MDS/MPN who responded well to lenalidomide therapy.
A multifaceted approach to calcium channel blocker overdose: a case report and literature review
Authors: Burkes Robert , Wendorf Gregg
Published: May 2015

Key Clinical Message

Calcium channel blocker toxicity can be devastating. Initial therapy with fluid, calcium, and adrenoreceptor agonists should be prompt and novel therapies can be added if no response. Determining cardiogenic shock versus vasoplegia with echocardiogram or other hemodynamic monitoring may guide treatment options.
Building Electron‐Precise BoronBoron Single Bonds: Imposing Monogamy on a Promiscuous Element
Authors: Braunschweig Holger , Dewhurst Rian D. , Mozo Silvia
Published: May 2015

The construction of BB bonds has recently become a major goal in synthetic chemistry owing to the intense interest in diboranes(4) as reagents for organic chemistry. Historically, synthetic methods suitable for this transformation are rare and most come with significant disadvantages. This article summarizes recent efforts by our group and others to provide new, mild, functional‐group‐tolerant, and convenient synthetic methods for the formation of electron‐precise BB single bonds.
Gold‐Catalyzed Cycloisomerization and Diels–Alder Reaction of 1,4,9‐Dienyne Esters to 3 a,6‐Methanoisoindole Esters with Pro‐Inflammatory Cytokine Antagonist Activity
Authors: Susanti Dewi , Liu Li‐Juan , Rao Weidong , Lin Sheng , Ma Dik‐Lung , Leung Chung‐Hang , Chan Philip Wai Hong
Published: May 2015

A synthetic method to prepare 3a,6‐methanoisoindole esters efficiently by gold(I)‐catalyzed tandem 1,2‐acyloxy migration/Nazarov cyclization followed by Diels–Alder reaction of 1,4,9‐dienyne esters is described. We also report the ability of one example to inhibit binding of tumor necrosis factor‐α (TNF‐α) to the tumor necrosis factor receptor 1 (TNFR1) site and TNF‐α‐induced nuclear factor κ‐light‐chain‐enhancer of activated B cells (NF‐κB) activation in cell at a half‐maximal inhibitory concentration (IC50) value of 6.6 μM. Along with this is a study showing the isoindolyl derivative to exhibit low toxicity toward human hepatocellular liver carcinoma (HepG2) cells and its possible mode of activity based on molecular modeling analysis.
Aromatic Interactions in Organocatalyst Design: Augmenting Selectivity Reversal in Iminium Ion Activation
Authors: Holland Mareike C. , Metternich Jan Benedikt , Daniliuc Constantin , Schweizer W. Bernd , Gilmour Ryan
Published: May 2015

Invited for the cover of this issue is the group of Ryan Gilmour at the Westfälische Wilhelms‐Universität Münster. The image depicts how the modes of stereoinduction differ for­ N‐methylpyrrole to­ N‐methylindole. Read the full text of the article at 10.1002/chem.201500270.
ChemInform Abstract: Single‐Crystal and Powder Neutron Diffraction Study of the FexMn1‐xS Solid Solutions.
Authors: Abramova Galina , Schefer Juerg , Aliouane Nadir , Boehm Martin , Petrakovskiy German , Vorotynov Alexandr , Gorev Mikhail , Bovina Asya , Sokolov Vladimir
Published: May 2015

Single crystals of the α‐MnS‐based FexMn1‐xS (x = 0‐0.3) solid solutions are prepared and shown to be new Mott materials with the rock salt structure.
ChemInform Abstract: Solvothermal Syntheses and Characterizations of Selenidostannate Salts of Transition Metal Complex Cations: Conformational Flexibility of the Lamellar [Sn3Se72‐]n Anion.
Authors: Lu Jialin , Shen Yali , Wang Fang , Tang Chunying , Zhang Yong , Jia Dingxian
Published: May 2015

Compounds (IV), (V), and (VII) are solvothermally prepared and characterized by single crystal XRD and UV/VIS spectroscopy.
ChemInform Abstract: Syntheses, Crystal Structures, Optical and Theoretical Studies of the Actinide Thiophosphates SrU(PS4)2, BaU(PS4)2, and SrTh(PS4)2.
Authors: Mesbah Adel , Prakash Jai , Beard Jessica C. , Lebegue Sebastien , Malliakas Christos D. , Ibers James A.
Published: May 2015

SrU(PS4)2 (I), BaU(PS4)2 (II), and SrTh(PS4)2 (III) are prepared by high‐temperature solid state reactions of Sr (Ba), U or Th, P2S5, S, and excess CsCl as a flux (C‐coated evacuated silica tube, 1123 K, 96 h, 70 wt% yield for (I) and (III) and 10 wt.% yield (II)).
ChemInform Abstract: Highly Controlled Ring‐Opening of Siloxydifluorocyclopropanes: A Versatile Route to Cyclic Fluoroketones.
Authors: Kageshima Yoshiya , Suzuki Chiharu , Oshiro Kojun , Amii Hideki
Published: May 2015

The method allows for the formation of gem‐difluorinated cycloalkanones and monofluorinated cycloenones.
ChemInform Abstract: Reductive Amination Using a Combination of CaH2 and Noble Metal.
Authors: Guyon Carole , Da Silva Eric , Lafon Romain , Metay Estelle , Lemaire Marc
Published: May 2015

The employed calcium hydride seems to react with the formed water and then liberates hydrogen.
ChemInform Abstract: Pyrrolidine—Diaminomethylenemalononitrile Organocatalyst for Solvent‐Free Asymmetric Direct Aldol Reactions.
Authors: Nakashima Kosuke , Hirashima Shin‐ichi , Akutsu Hiroshi , Koseki Yuji , Tada Norihiro , Itoh Akichika , Miura Tsuyoshi
Published: May 2015

The use of the title catalyst (PMN) allows the synthesis of aldol adducts with up to 99% ee.
ChemInform Abstract: AgF‐Mediated Fluorinative Cross‐Coupling of Two Olefins: Facile Access to α‐CF3 Alkenes and β‐CF3 Ketones.
Authors: Gao Bing , Zhao Yanchuan , Hu Jinbo
Published: May 2015

An AgF‐mediated fluorination with a concomitant cross‐coupling between a gem‐difluoroolefin and a non‐fluorinated olefin is reported.
ChemInform Abstract: Regioselective Direct Arylation of Fused 3‐Nitropyridines and Other Nitro‐Substituted Heteroarenes: The Multipurpose Nature of the Nitro Group as a Directing Group.
Authors: Iaroshenko Viktor O. , Gevorgyan Ashot , Mkrtchyan Satenik , Grigoryan Tatevik , Movsisyan Ester , Villinger Alexander , Langer Peter
Published: May 2015

The nitro group acts as directing group in the Pd‐catalyzed arylation and as leaving group in the cyclization reaction of compound (XIII).
ChemInform Abstract: ZnCl2‐Promoted One‐Pot Three‐Component Synthesis of Multisubstituted Thiazolo[4,5‐b]pyridines and Thieno[2,3‐b:4,5‐b′]dipyridines.
Authors: Luo Laichun , Meng Lanlan , Peng Yangqiu , Xing Yongning , Sun Qi , Ge Zemei , Li Runtao
Published: May 2015

The reaction involves a tandem SN2 alkylation/Thorpe—Ziegler cyclization/Friedlaender reaction, which allows the creation of two hetero rings and four new bonds in a single operation.
ChemInform Abstract: An Alternative Mechanism for the Cobalt‐Catalyzed Isomerization of Terminal Alkenes to (Z)‐2‐Alkenes.
Authors: Schmidt Anastasia , Noedling Alexander R. , Hilt Gerhard
Published: May 2015

The cobalt‐catalyzed selective isomerization of terminal alkenes to the thermodynamically less‐stable (Z)‐2‐alkenes at ambient temperatures takes place by a new mechanism involving the transfer of a hydrogen atom from a Ph2PH ligand to the starting material and the formation of a phosphenium complex, which recycles the Ph2PH complex through a 1,2‐H shift.
ChemInform Abstract: Synthesis of Terminal Allenes Through Copper‐Mediated Cross‐Coupling of Ethyne with N‐Tosylhydrazones or α‐Diazoesters.
Authors: Ye Fei , Wang Chengpeng , Ma Xiaoshen , Hossain Mohammad Lokman , Xia Ying , Zhang Yan , Wang Jianbo
Published: May 2015

The required N‐tosylhydrazones (I) and (V) are easily prepared from the corresponding ketones and aldehydes and they are stable and easy to purify.
ChemInform Abstract: Bi(OTf)3‐Catalyzed One‐Step Catalytic Synthesis of N‐Boc or N‐Cbz Protected α‐Branched Amines.
Authors: Jaratjaroonphong Jaray , Tuengpanya Surisa , Ruengsangtongkul Sureeporn
Published: May 2015

A one‐pot, three‐component aza‐Friedel‐Crafts reaction of electron‐rich arenes with a variety of aldehydes and tert‐butyl or benzyl carbamate provides an efficient method for preparation of N‐protected α‐branched amines.
ChemInform Abstract: Synthesis of High Surface Area Mixed Metal Oxide from the NiMgAl LDH Precursor for Nitro‐Aldol Condensation Reaction.
Authors: Bharali Dipshikha , Devi Rasna , Bharali Pankaj , Deka Ramesh C.
Published: May 2015

Title catalysts are synthesized and shown to have high catalytic activity towards nitro‐aldol condensation reaction.
ChemInform Abstract: Easily Accessible TADDOL‐Derived Bisphosphonite Ligands: Synthesis and Application in the Asymmetric Hydroformylation of Vinylarenes.
Authors: Allmendinger Simon , Kinuta Hirotaka , Breit Bernhard
Published: May 2015

Asymmetric hydroformylation of vinylarenes (I) is accomplished by using a rhodium catalyst with a TADDOL‐derived bisphosphonite ligand after preforming.
ChemInform Abstract: Metal‐Free Oxidative Radical Addition of Carbonyl Compounds to α,α‐Diaryl Allylic Alcohols: Synthesis of Highly Functionalized Ketones.
Authors: Chu Xue‐Qiang , Meng Hua , Zi You , Xu Xiao‐Ping , Ji Shun‐Jun
Published: May 2015

Cyclic and acyclic alkyl and aryl ketones, esters, lactones, carbonates, amides, and formamides as well as lactams react with symmetric and non‐symmetric α,α‐diaryl allylic alcohols.
ChemInform Abstract: Electrophilic Aromatic Trifluoromethylthiolation with the Second Generation of Trifluoromethanesulfenamide.
Authors: Alazet Sebastien , Billard Thierry
Published: May 2015

The trifluoromethylthiolation succeeds for variously substituted aromatic and hetaromatic compounds including substrates with deactivating substituents and hitherto unsuccessfully applied alkyl or nitro group containing ones.
ChemInform Abstract: Steric vis‐a‐vis Electronic Influence of Phosphines on Biaryl Motif: Ligand Design for Coupling Reactions with Chloroarenes.
Authors: Saha Debajyoti , Ghosh Raju , Dutta Ranjan , Mandal Achintya Kumar , Sarkar Amitabha
Published: May 2015

Six new 1‐aryl‐pyrazole/pyrrole derived ligands are synthesized and evaluated in Pd‐catalyzed Suzuki—Miyaura and Hiyama coupling reactions.
ChemInform Abstract: Enantioselective Synthesis of Chiral Biaryl Chlorides/Iodides by a Chiral Phosphoric Acid Catalyzed Sequential Halogenation Strategy.
Authors: Mori Keiji , Kobayashi Manato , Itakura Tsubasa , Akiyama Takahiko
Published: May 2015

Chiral biaryl halogenides [(II) and (IV)] are synthesized with high enantioselectivities by chiral phosphoric acid catalyzed asymmetric iodination or chlorination followed by kinetic resolution‐type asymmetric bromination.
ChemInform Abstract: Multistereogenic Phosphine Ligand‐Promoted Palladium‐Catalyzed Allylic Alkylation of Cyanoesters.
Authors: Deng Wen‐Hui , Ye Fei , Bai Xing‐Feng , Zheng Zhan‐Jiang , Cui Yu‐Ming , Xu Li‐Wen
Published: May 2015

The presented asymmetric title reaction provides the products as mixtures of two diastereomers, each of which is formed with moderate to high enantiomeric excess (63‐96% ee).
ChemInform Abstract: Organocatalytic Enantio‐ and Diastereoselective Synthesis of 1,2‐Dihydronaphthalenes from Isobenzopyrylium Ions.
Authors: Qian Hui , Zhao Wanxiang , Wang Zhaobin , Sun Jianwei
Published: May 2015

The title reaction is a new catalytic asymmetric synthesis of important dihydronaphthalenes, and also a new example of asymmetric reactions of the versatile isobenzopyrylium species.
ChemInform Abstract: Palladium‐Mediated α‐Arylation of β‐Ketosulfones: Application to the Synthesis of Functionalized Sulfonyl Phenanthrenes.
Authors: Chang Meng‐Yang , Chen Yi‐Chia , Chan Chieh‐Kai
Published: May 2015

A great variety of sulfonyl phenanthrenes (V) is prepared via O‐alkylation of skeleton (III) followed by photo‐induced Scholl ring‐closure.
ChemInform Abstract: Synthesis of Pyranocoumarin Fused Spirooxindoles via Knoevenagel/Michael/Cyclization Sequence: A Regioselective Organocatalyzed Multicomponent Reaction.
Authors: Pal Suman , Khan Md. Nasim , Karamthulla Shaik , Choudhury Lokman H.
Published: May 2015

The three component reaction of isatins, chromenone (III), and malononitrile in methanol affords the title compounds (IV).
ChemInform Abstract: Enantiotopos‐Selective C—H Oxygenation Catalyzed by a Supramolecular Ruthenium Complex.
Authors: Frost James R. , Huber Stefan M. , Breitenlechner Stefan , Bannwarth Christoph , Bach Thorsten
Published: May 2015

Spirocyclic oxindoles undergo an enantioselective oxygenation reaction (nine examples; e.r.
ChemInform Abstract: Palladium/Norbornene Chemistry: An Unexpected Route to Methanocarbazole Derivatives via Three Csp3—Csp2/Csp3—N/Csp 2—N Bond Formations in a Single Synthetic Sequence.
Authors: Jafarpour Farnaz , Jalalimanesh Nafiseh , Teimouri Mahdieh , Shamsianpour Mitra
Published: May 2015

The formation of methanocarbazoles is carried out by chemo‐ and regioselective annulation via Catellani cascade reaction including Heck reaction, C—H activation, and amination.
ChemInform Abstract: Oxidative Coupling of Alkenes with Aldehydes and Hydroperoxides: One‐Pot Synthesis of 2,3‐Epoxy Ketones.
Authors: Wei Wen‐Ting , Yang Xu‐Heng , Li Hai‐Bing , Li Jin‐Heng
Published: May 2015

2,3‐Epoxy ketones [(III) and (V)] are synthesized through an oxidative radical pathway with a broad substrate scope and excellent selectivity control.
ChemInform Abstract: Metal‐Free Radical 5‐exo‐Dig Cyclizations of Phenol‐Linked 1,6‐Enynes for the Synthesis of Carbonylated Benzofurans.
Authors: Hu Ming , Song Ren‐Jie , Li Jin‐Heng
Published: May 2015

A new metal‐free radical 5‐exo‐dig cyclization of phenol‐linked 1,6‐enynes with O2, TEMPO and tBuONO is described.
ChemInform Abstract: Three‐Component Synthesis of New Substituted Bis[2‐imino‐3‐(substituted)‐4‐phenyl‐3H‐thiazole] Derivatives and Evaluation of Their Antibacterial Activity.
Authors: Yahyazadeh Asieh , Abbasi Shiran Jafar , Yamin Bohari M. , Mamaghani Manouchehr , Kiyani Hamzeh
Published: May 2015

The antimicrobial activity of the synthesized compounds are evaluated against Salmonella enterica, Micrococcus luteus, Bacillus subtilis, and Pseudomonas aeruginosa.
ChemInform Abstract: Ruthenium‐Catalyzed C—H Activation of Thioxanthones.
Authors: Wagner Danny , Braese Stefan
Published: May 2015

Thioxanthones readily synthesized in one step from thiosalicylic acid and arenes are used in ruthenium‐catalyzed C—H‐activation reaction to produce substituted thioxanthones in good to excellent yields.
ChemInform Abstract: Chemoselective Suzuki‐Cross Coupling Reactions of 5‐Bromoquinolin‐8‐yl Trifluoromethanesulfonate.
Authors: Khaddour Zien , Akrawi Omer A. , Hamdy Aws M. , Suleiman Ali , Jamous Kinan , Villinger Alexander , Langer Peter
Published: May 2015

The title reaction proceeds with very good chemoselectivity in favour of the bromide substituent to give 5‐mono‐arylated or 5,8‐bis‐arylated quinolines.
ChemInform Abstract: Ligand‐Controlled Regiodivergent Nickel‐Catalyzed Annulation of Pyridones.
Authors: Donets Pavel A. , Cramer Nicolai
Published: May 2015

A nickel‐catalyzed C—H functionalization of 2‐pyridones and subsequent cyclization affords 1,6‐annulated 2‐pyridones by selective intramolecular olefin hydroarylation.
ChemInform Abstract: Isoquinolino[4,3,2‐de]phenanthridine: Synthesis and Its Use in 1,3‐Dipolar Cycloadditions to Form Nitrogen‐Containing Polyaromatic Hydrocarbons.
Authors: Ito S. , Tokimaru Y. , Nozaki K.
Published: May 2015

The new synthesis of the intermediate isoquinolino[4,3,2‐de]phenanthridine is achieved by treatment of the compound (V) with Et3N.
ChemInform Abstract: Polyphosphoric Acid Catalyst for the One‐Pot Synthesis of 3,4‐Dihydropyrimidin‐2(1H)‐ones by Grinding under Solvent‐Free Conditions.
Authors: Zhao Ying , Zhao Yongguang , Zhang Jianping , Liu Hongmei , Liang Liman
Published: May 2015

PPA is found to be an efficient catalyst for the synthesis of pyrimidinones (IV) via the Biginelli reaction.
ChemInform Abstract: Rhodium(II)‐Catalyzed Transannulation of 1‐Sulfonyl‐1,2,3‐triazoles with 2H‐Azirines: A New Method to Dihydropyrazines.
Authors: Ding Haixin , Hong Sanguo , Zhang Ning
Published: May 2015

The dihydropyrazine products can be deprotected under basic conditions to give pyrazines as shown in case of product (IIIa).
ChemInform Abstract: Synthesis of New 3‐Phenyl Substituted Dibenzo‐1,4‐diazepin‐1‐one Derivatives.
Authors: Wang Fang‐Ming , Bao Dan , Wang Ming , Li Ming‐Jun , Chen Li‐Zhuang , Han Guang‐Fan
Published: May 2015

via condensation of dione (I) with o‐phenylenediamine (II), and various benzaldehydes
ChemInform Abstract: Iminopyridine Oxazoline Iron Catalyst for Asymmetric Hydroboration of 1,1‐Disubtituted Aryl Alkenes.
Authors: Chen Jianhui , Xi Tuo , Lu Zhan
Published: May 2015

Highly regio‐ and enantioselective anti‐Markovnikov hydroboration of 1,1‐disubstituted aryl alkenes (I) is achieved using a novel chiral iminopyridine oxazoline ligand.
ChemInform Abstract: Site‐Selective C(sp3)—H Functionalization of Di‐, Tri‐, and Tetrapeptides at the N‐Terminus.
Authors: Gong Wei , Zhang Guofu , Liu Tao , Giri Ramesh , Yu Jin‐Quan
Published: May 2015

N‐terminal alanine peptides are regioselectively arylated and acetoxylated in the presence of Palladium(II) acetate.
ChemInform Abstract: A Practical Aryl Unit for Azlactone Dynamic Kinetic Resolution: Orthogonally Protected Products and a Ligation‐Inspired Coupling Process.
Authors: Tallon Sean , Manoni Francesco , Connon Stephen J.
Published: May 2015

The first enantioselective azlactone dynamic kinetic resolution to generate orthogonally protected amino acids is developed.
ChemInform Abstract: Total Synthesis and Structure Elucidation of (.+‐.)‐Triumphalone and (.+‐.)‐Isotriumphalone.
Authors: Nishimura Eiji , Ohfune Yasufumi , Shinada Tetsuro
Published: May 2015

The first total synthesis of (.+‐.)‐triumphalone (I) and its conversion to (.+‐.)‐isotriumphalone is presented resulting in a revision of the reported structure.
ChemInform Abstract: Black Titanium Dioxide (TiO2) Nanomaterials
Authors: Chen Xiaobo , Liu Lei , Huang Fuqiang
Published: May 2015

Review: 191 refs.
ChemInform Abstract: Cyclopentadienyl/Phenyl Attraction in CpM‐L‐E‐Ph Compounds by CH/π Interactions
Authors: Brunner Henri , Tsuno Takashi
Published: May 2015

Review: 69 refs.
ChemInform Abstract: Metal‐Mediated and Metal‐Catalyzed Reactions of Isocyanides
Authors: Boyarskiy Vadim P. , Bokach Nadezhda A. , Luzyanin Konstantin V. , Kukushkin Vadim Yu.
Published: May 2015

Review: 433 refs.
ChemInform Abstract: Catalytic Synthesis of 2H‐Chromenes
Authors: Majumdar Nilanjana , Paul Nanda D. , Mandal Sutanuva , de Bruin Bas , Wulff William D.
Published: May 2015

Review: 114 refs.
ChemInform Abstract: Modern Studies in the Area of Molecular Magnets: State, Problems, and Prospects
Authors: Lukov V. V. , Kogan V. A. , Levchenkov S. I. , Shcherbakov I. N. , Popov L. D.
Published: May 2015

Review: 132 refs.
ChemInform Abstract: Controlling Catalytic Selectivity via Adsorbate Orientation on the Surface: From Furfural Deoxygenation to Reactions of Epoxides
Authors: Pang Simon H. , Medlin J. Will
Published: May 2015

Review: 72 refs.
ChemInform Abstract: Membrane Extraction and Solid Phase Extraction as Effective Methods for Extraction and Concentration of Organic Compounds from Samples with Complex Matrix Composition
Authors: Poliwoda Anna , Chrzanowska Anna M. , Orlowska Katarzyna , Wieczorek Piotr Pawel
Published: May 2015

Review: 44 refs.
ChemInform Abstract: A New Class of Enzymes Discovered: A Non‐Heme Oxidase Produces Medium‐Chain 1‐Alkenes
Authors: Kourist Robert
Published: May 2015

Review: 13 refs.
ChemInform Abstract: Organic—Inorganic Halide Perovskite Based Solar Cells — Revolutionary Progress in Photovoltaics
Authors: Liu Xiangye , Zhao Wei , Cui Houlei , Xie Yi'an , Wang Yaoming , Xu Tao , Huang Fuqiang
Published: May 2015

Review: 151 refs.
ChemInform Abstract: Biomimetic Receptors and Sensors
Authors: Dickert Franz L.
Published: May 2015

Review: 12 refs.
ChemInform Abstract: Theoretical Calculations on the Conformational/Tautomeric Equilibria for Small Molecules in Solution
Authors: Nagy Peter I.
Published: May 2015

Review: 207 refs.
Asymmetric Borane Reduction of Prochiral Ketones Catalyzed By Helical Poly[(S)‐3‐vinyl‐2,2'‐dihydroxy‐1,1'‐binaphthyl]
Authors: Qin Guochang , Chen Yehui , Yang Liwen , Yang Nianfa , Yang Zhusheng
Published: May 2015

The application of helical poly[(S)‐3‐vinyl‐2,2'‐dihydroxy‐1, 1'‐binaphthyl] (L*) in the asymmetric borane reduction of prochiral ketones was studied. The results showed that L* had excellent catalytic activity as well as enantioselectivity, giving up to 96% yield and up to 99% enantiomeric excess (ee) of the corresponding secondary alcohol at 25 °C. Moreover, L* can be easily recovered and reused without loss of catalytic activity. Chirality 27:422–424, 2015. © 2015 Wiley Periodicals, Inc.
Theoretical Electronic Circular Dichroism Study of 1,3‐Diene Derivatives for the Elucidation of ECD Spectra of 1,3‐Cyclohexadiene and Its Derivatives
Authors: Nakayama Naofumi , Goto Hitoshi
Published: May 2015

The origin of P‐ or M‐chirality of methyl substituted 1,3‐cyclohexadienes are elucidated by time‐dependent density functional theory (TD‐DFT) calculation of 1,3‐cyclohexadiene derivatives and acyclic 1,3‐dienes. The sign‐inversion of the rotatory strength of the lowest excited state between 1,3‐cyclohexadiene and (5R)‐axial‐methyl‐1,3‐cyclohexadiene is caused by the conformation around the (C=)C‐C(‐Me) dihedral angle. The correlation between the sign of the rotatory strength and conformation has been found not only in methyl substituted derivatives but also fluoro substituted compounds. Chirality 27:476–478, 2015. © 2015 Wiley Periodicals, Inc.
Funding conditions for aid effectiveness: A mixed blessing for the sustainable development of host‐country‐national employees
Authors: O'Sullivan Sharon L.
Published: May 2015

This paper explores whether—and how—aid effectiveness funding conditions impact the human resource development of host‐country national (HCN) employees. To investigate this relationship, I conducted a phenomenological study with 31 participants from three international nongovernmental organizations (INGOs). Results suggest that the pressure toward funds accountability brings mixed blessings: From a staffing perspective, more HCNs are being hired instead of expatriates, building local capacity. However, vital training and performance review functions are cast as inefficient overheads. The paper concludes with a conceptual framework, practical strategies for INGOs and donor governments, and directions for larger scale empirical research. Copyright © 2015 ASAC. Published by John Wiley & Sons, Ltd.
Cervical cancer screening and follow‐up in 4 geographically diverse US health care systems, 1998 through 2007
Authors: Weinmann Sheila , Williams Andrew E. , Kamineni Aruna , Buist Diana S.M. , Masterson Erin E. , Stout Natasha K. , Stark Azadeh , Ross Tyler R. , Owens Christopher L. , Field Terry S. , Doubeni Chyke A.
Published: May 2015

BACKGROUND

Cervical cancer screening and follow‐up guidelines have changed considerably in recent years, but to the authors' knowledge few published reports exist to estimate the impact of these changes in community‐based settings. The authors examined the patterns and results of cervical cancer testing and follow‐up over a decade in 4 geographically diverse US health care systems to inform the future evaluation of changes resulting from increased uptake of the human papillomavirus (HPV) vaccination.

METHODS

The authors studied women aged 21 to 65 years who were members of one of these health systems at any time between 1998 and 2007. Data were collected and standardized across sites, based on receipt of Papanicolaou (Pap) and HPV tests, HPV vaccination, cervical biopsies, and treatment of cervical dysplasia. Annual rates (per 1000 person‐years) of Pap testing, HPV testing, and cervical biopsy and treatment procedures were calculated. Screening intervals and trends in the results of screening Pap tests and cervical biopsies also were examined.

RESULTS

Pap testing rates decreased (from 483 per 1000 person‐years in 2000 to 412 per 1000 person‐years in 2007) and HPV testing rates increased over the study period. Screening frequency varied across health care systems, and many women continued to receive annual testing. All 4 sites moved to less frequent screening over the study period without marked changes in the overall use of cervical biopsy or treatment.

CONCLUSIONS

Despite differences over time and across health plans in rates of cervical cancer testing and follow‐up cervical procedures, the authors found no notable differences in Pap test results, diagnostic or treatment procedure rates, or pathological outcomes. This finding suggests that the longer screening intervals did not lead to more procedures or more cancer diagnoses. Cancer 2015;121:2976–2983. © 2015 American Cancer Society.
Patient‐specific anisotropic model of human trunk based on MR data
Authors: Courchesne Olivier , Guibault Francois , Parent Stefan , Cheriet Farida
Published: May 2015

There are many ways to generate geometrical models for numerical simulation, and most of them start with a segmentation step to extract the boundaries of the regions of interest. This paper presents an algorithm to generate a patient‐specific three‐dimensional geometric model, based on a tetrahedral mesh, without an initial extraction of contours from the volumetric data. Using the information directly available in the data, such as gray levels, we built a metric to drive a mesh adaptation process. The metric is used to specify the size and orientation of the tetrahedral elements everywhere in the mesh. Our method, which produces anisotropic meshes, gives good results with synthetic and real MRI data. The resulting model quality has been evaluated qualitatively and quantitatively by comparing it with an analytical solution and with a segmentation made by an expert. Results show that our method gives, in 90% of the cases, as good or better meshes as a similar isotropic method, based on the accuracy of the volume reconstruction for a given mesh size. Moreover, a comparison of the Hausdorff distances between adapted meshes of both methods and ground‐truth volumes shows that our method decreases reconstruction errors faster. Copyright © 2015 John Wiley & Sons, Ltd.
Structures, Electrochemical and Spectral Properties of a Series of [MnN(CN)3(diimine)]– Complexes
Authors: Murphy Michael J. , Hua Carol , Price Jason R. , D'Alessandro Deanna M. , Kepert Cameron J.
Published: May 2015

The structures and the electrochemical and spectral properties of a series of discrete [PPh4][MnN(CN)3(diimine)] complexes {diimine = 2,2′‐bipyridine [1(bpy)], 4,4′‐dimethyl‐2,2′‐bipyridine [1(4‐dmbpy)], 5,5′‐dimethyl‐2,2′‐bipyridine [1(5‐dmbpy)], 1,10‐phenanthroline [1(phen)] and bipyrimidine [1(bpym)]} have been assessed. These complexes represent potential building blocks for the construction of coordination frameworks. The incorporation of diimine ligands with different π‐accepting capacities allows the systematic tuning of the metal‐to‐ligand charge‐transfer (MLCT) band as well as the MnV/MnVI redox potential. The complexes exhibit solvatochromism, and the marked sensitivity of λmax of the MLCT band to polar solvents leads the way towards their potential application in chemical sensing.
Concise Synthesis of All Stereoisomers of Dendroamide A by Fluorous Mixture Synthesis Based on Fluorous‐Fmoc Protection of Amino Acids
Authors: Takahashi Hiroaki , Endo Natsuki , Takanose Hitomi , Sugiyama Yuya , Eguchi Fumitaka , Oguri Kazuma , Hamamoto Hiromi , Shioiri Takayuki , Matsugi Masato
Published: May 2015

A liquid‐phase split‐type synthesis of all the stereoisomers of dendroamide A, which exhibits multidrug‐resistance reversing activity, has been carried out. The key to the concise synthesis was the fluorous‐Fmoc protection strategy of each of the starting materials (D‐ and L‐alanine and D‐ and L‐valine). By using the fluorous‐Fmoc encoding method, the target stereoisomers were effectively synthesized individually in fewer steps than by the corresponding linear synthetic routes.
Implication of microRNA deregulation in the response of vertebrates to endocrine disrupting chemicals
Authors: Cameron Brooke E. , Craig Paul M. , Trudeau Vance L.
Published: May 2015

Micro ribonucleic acids (miRNAs) are recently discovered small regulatory molecules that control messenger RNA (mRNA) translation in plants and animals and have been implicated in a variety of hormone-related physiological pathways. Estrogens, thyroid hormones, and gonadotropins are all known to act on miRNA abundance to cause major shifts in cellular activity, physiology, and homeostatic control mechanisms. Research on cancer biology has also recently considered miRNA as therapeutic targets, because the deregulation of specific miRNAs in various tissues has been correlated with tumorigenesis and other carcinogenic responses. Because many pharmaceuticals are considered to be endocrine-disrupting chemicals (EDCs), their effects on miRNAs may be important to our understanding of basic physiological control and phenotypic outcomes of wildlife exposed to EDCs. Presented is a brief overview of the synthesis, control, and action of miRNAs, focusing on endocrine systems. The antidepressant fluoxetine will be used as an example for miRNA studies in aquatic species, one of the few examples in ecotoxicology. Given the mounting evidence that miRNAs are regulated by hormones, a clear need exists to investigate the potential for environmental EDCs to deregulate miRNA expression and action. Environ Toxicol Chem 2016;35:788–793. © 2015 SETAC
Using molecular biomarkers and traditional morphometric measurements to assess the health of slimy sculpin (Cottus cognatus) from streams with elevated selenium in North-Eastern British Columbia
Authors: Miller Lana L. , Isaacs Meghan A. , Martyniuk Christopher J. , Munkittrick Kelly R.
Published: May 2015

Canadian fish-based environmental effects monitoring programs use individual and population-level endpoints to assess aquatic health. Impacts of coal mining and selenium (Se) exposure were assessed in slimy sculpin (Cottus cognatus) from reference streams located both inside and outside of a coal zone, and from 1 stream with a history of coal mining, using traditional environmental effects monitoring endpoints. In addition, physical characteristics of the streams and benthic macro-invertebrate communities were assessed. To determine whether the assessment of effects could be improved by including molecular markers, real-time polymerase chain reaction assays were optimized for genes associated with reproduction (vtg, esr1, star, cyp19a1, and gys2), and oxidative and cellular stress (sod1, gpx, gsr, cat, and hsp 90). Water Se levels exceeded guidelines in the stream with historical mining (4 μg/L), but benthic macroinvertebrates did not exceed dietary thresholds (2–3 μg/g dry wt). Whole-body Se levels were above British Columbia's tissue guideline in fish from all streams, but only above the draft US Environmental Protection Agency (USEPA) criterion (7.91 μg/g dry wt) at the reference stream inside the coal zone. Some markers of cellular and oxidative stress were elevated in fish liver at the exposed site (sod1, gpx), but some were lower (cat, sod1, gpx, gsr, hsp90) in the gonads of fish inside the coal zone. Some of the differences in gene expression levels between the reference and impacted sites were sex dependent. Based on benthic macroinvertebrate assessments, the authors hypothesize that traditional and molecular differences in slimy sculpin at impacted sites may be driven by food availability rather than Se exposure. The present study is the first to adapt molecular endpoints in the slimy sculpin for aquatic health assessments. Environ Toxicol Chem 2015;34:2335–2346. © 2015 SETAC
The Effects of Parental Health Shocks on Adult Offspring Smoking Behavior and Self‐Assessed Health
Authors: Darden Michael , Gilleskie Donna
Published: May 2015

An important avenue for smoking deterrence may be through familial ties if adult smokers respond to parental health shocks. In this paper, we merge the Original Cohort and the Offspring Cohort of the Framingham Heart Study to study how adult offspring smoking behavior and subjective health assessments vary with elder parent smoking behavior and health outcomes. These data allow us to model the smoking behavior of adult offspring over a 30‐year period contemporaneously with parental behaviors and outcomes. We find strong ‘like father, like son’ and ‘like mother, like daughter’ correlations in smoking behavior. We find that adult offspring significantly curtail their own smoking following anownhealth shock; however, we find limited evidence that offspring smoking behavior is sensitive to parent health, with the notable exception that women significantly reduce both their smoking participation and intensity following a smoking‐related cardiovascular event of a parent. We also model the subjective health assessment of adult offspring as a function of parent health, and we find that women report significantly worse health following the smoking‐related death of a parent. Copyright © 2015 John Wiley & Sons, Ltd.
Intracellular calcium levels as screening tool for nanoparticle toxicity
Authors: Meindl Claudia , Kueznik Tatjana , Bösch Martina , Roblegg Eva , Fröhlich Eleonore
Published: May 2015

The use of engineered nano‐sized materials led to revolutionary developments in many industrial applications and in the medical field. These materials, however, also may cause cytotoxicity. In addition to size, surface properties and shape were identified as relevant parameters for cell damage. Cell damage may occur as disruption of membrane integrity, induction of apoptosis and by organelle damage. Generation of oxidative stress may serve as an indicator for cytotoxicity. Effects occurring upon short contact of particles with cells, for instance in the systemic blood circulation, could be identified according to increases of intracellular [Ca2+] levels, which are caused by variety of toxic stimuli. Negatively charged, neutral and positively charged polystyrene particles of different sizes were used to study the role of size and surface properties on viability, membrane disruption, apoptosis, lysosome function, intracellular [Ca2+] levels and generation of oxidative stress. Silica particles served to test this hypothesis. Twenty nm polystyrene particles as well as 12 nm and 40 nm silica particles caused membrane damage and apoptosis with no preference of the surface charge. Only 20 nm plain and amine functionalized polystyrene particles cause oxidative stress and only the plain particles lysosomal damage. A potential role of surface charge was identified for 200 nm polystyrene particles, where only the amidine particles caused lysosomal damage. Increases in intracellular [Ca2+] levels and cytotoxicity after 24 h was often linked but determination of intracellular [Ca2+] levels could serve to characterize further the type of membrane damage. © 2015 The Authors. Journal of Applied Toxicology Published by John Wiley & Sons Ltd.
Genome-Wide Survey of Runs of Homozygosity Identifies Recessive Loci for Bone Mineral Density in Caucasian and Chinese Populations
Authors: Yang Tie-Lin , Guo Yan , Zhang Ji-Gang , Xu Chao , Tian Qing , Deng Hong-Wen
Published: May 2015

Runs of homozygosity (ROHs), in which both parental alleles are identical, have been proposed to have recessive effects on multiple human complex diseases. Osteoporosis is a common complex disease characterized by low bone mineral density (BMD), which is highly heritable. And recessive loci that contribute to BMD variations have been identified. In this study, we performed a genome-wide ROHs association study using our SNP array data from three GWAS samples including 4,900 subjects from Caucasian and Chinese populations. Significant results were further subjected to replication in 3,747 additional subjects. ROHs associated with BMD were also tested for associations with osteoporotic fractures in a GWAS fracture sample. Combining results from all the samples, we identified 697 autosomal regions with ROHs. Among these, we detected genome-wide significant associations between BMD and 6 ROHs, including ROH1q31.3, 1p31.1, 3q26.1, 11q12.1, 21q22.1 and 15q22.3 (combined P = 6.29 × 10-5 - 3.17 × 10-8). Especially, ROH1p31.1 was found to be associated with increased risk of osteoporotic hip fractures (odds ratio [OR] = 3.71, P = 0.032). To investigate the functional relevance of the identified ROHs, we performed cis-expression quantitative trait locus (eQTL) analysis in lymphoblast cell lines. Three ROHs, including ROH1p31.1, 11q12.1, and 15q22.3, were found to be significantly associated with mRNA expression levels of their nearby genes (PeQTL < 0.05). In summary, our findings reveal that ROHs could play as recessive-acting determinants contributing to the pathogenesis of osteoporosis. Further molecular and functional studies are needed to explore and clarify the potential mechanism. © 2015 American Society for Bone and Mineral Research.
GAMPMS: Genetic algorithm managed peptide mutant screening
Authors: Long Thomas , McDougal Owen M. , Andersen Tim
Published: May 2015

The prominence of endogenous peptide ligands targeted to receptors makes peptides with the desired binding activity good molecular scaffolds for drug development. Minor modifications to a peptide's primary sequence can significantly alter its binding properties with a receptor, and screening collections of peptide mutants is a useful technique for probing the receptor–ligand binding domain. Unfortunately, the combinatorial growth of such collections can limit the number of mutations which can be explored using structure‐based molecular docking techniques. Genetic algorithm managed peptide mutant screening (GAMPMS) uses a genetic algorithm to conduct a heuristic search of the peptide's mutation space for peptides with optimal binding activity, significantly reducing the computational requirements of the virtual screening. The GAMPMS procedure was implemented and used to explore the binding domain of the nicotinic acetylcholine receptor (nAChR)
‐isoform with a library of 64,000 α‐conotoxin (α‐CTx) MII peptide mutants. To assess GAMPMS's performance, it was compared with a virtual screening procedure that used AutoDock to predict the binding affinity of each of the α‐CTx MII peptide mutants with the
‐nAChR. The GAMPMS implementation performed AutoDock simulations for as few as 1140 of the 64,000 α‐CTx MII peptide mutants and could consistently identify a set of 10 peptides with an aggregated binding energy that was at least 98% of the aggregated binding energy of the 10 top peptides from the exhaustive AutoDock screening. © 2015 Wiley Periodicals, Inc.
A High Performance Route for the Synthesis of Dihydropyrrolo[1,2‐f]phenanthridine Scaffolds by using a One‐pot Four‐component Reaction
Authors: Marandi Ghasem , Saghatforoush Lotfali , Kabiri Roya
Published: May 2015

Synthesis of a series pyridine containing dihydropyrrolo core fused phenanthridines by a one‐pot four‐component reaction in an efficient route is reported. This report contains the reaction of pyridinecarbaldehydes, malononitrile, and phenanthridine in the presence of alkyl isocyanides.
Subcortical gray matter segmentation and voxel‐based analysis using transverse relaxation and quantitative susceptibility mapping with application to multiple sclerosis
Authors: Cobzas Dana , Sun Hongfu , Walsh Andrew J. , Lebel R. Marc , Blevins Gregg , Wilman Alan H.
Published: May 2015

Purpose

To investigate subcortical gray matter segmentation using transverse relaxation rate (R2*) and quantitative susceptibility mapping (QSM) and apply it to voxel‐based analysis in multiple sclerosis (MS).

Materials and Methods

Voxel‐based variation in R2* and QSM within deep gray matter was examined and compared to standard whole‐structure analysis using 37 MS subjects and 37 matched controls. Deep gray matter nuclei (caudate, putamen, globus pallidus, and thalamus) were automatically segmented and morphed onto a custom atlas based on QSM and standard T1‐weighted images. Segmentation accuracy and scan–rescan reliability were tested.

Results

When considering only significant regions as returned by the multivariate voxel‐based analysis, increased R2* and QSM was found in MS subjects compared to controls in portions of all four nuclei studied (P < 0.002). For R2*, regional analysis yielded at least 66‐fold improved P‐value significance in all nuclei over standard whole‐structure analysis, while for QSM only thalamus benefited, with 5‐fold improvement in significance. Improved segmentation over standard methods, particularly for globus pallidus (2.8 times higher Dice score), was achieved by incorporating high‐contrast QSM into the atlas. Voxel‐based reliability was highest for QSM (<1% variation).

Conclusion

Automatic segmentation of iron‐rich deep gray matter can be improved by incorporating QSM. Voxel‐based evaluation yielded increased R2* and QSM in MS subjects in all four nuclei studied with R2*, benefiting the most from localized analysis over whole‐structure measures. J. MAGN. RESON. IMAGING 2015;42:1601–1610.
Dedicated model for the efficient assessment of wireless power transfer in the radiative near‐field
Authors: Stockman Gert‐Jan , Rogier Hendrik , Ginste Dries Vande
Published: May 2015

In this paper, a novel method to efficiently calculate the power transfer efficiency of a wireless power transfer system in the radiative near‐field is proposed. The technique allows repositioning of the antennas without large additional cost. It relies on a single simulation (or measurement) of the radiation pattern of the antennas used. Thanks to its high computational efficiency, it can be used in multi‐transmitter and multi‐receiver scenarios when there is no coupling between devices via the reactive near‐field. Our method is applied to the latter to demonstrate its accuracy and computational efficiency. Copyright © 2015 John Wiley & Sons, Ltd.
High‐resolution climate simulations with COSMO‐CLM over Italy: performance evaluation and climate projections for the 21st century
Authors: Bucchignani Edoardo , Montesarchio Myriam , Zollo Alessandra Lucia , Mercogliano Paola
Published: May 2015

This study presents the results of dynamically downscaled climate simulations over Italy produced with the COSMO‐CLM model. Three simulations forced by ERA‐Interim Reanalysis were conducted respectively at a spatial resolution of 0.22°, 0.125° and 0.0715° over the period 1979–2011. The results were analysed in terms of 2‐m temperature and precipitation with the aim of assessing the model's ability to reproduce these important features of the Italian climate. The results were validated by comparing model output with different independent observational datasets. Values of temperature and precipitation show a general good agreement with observations, with a fair reduction of errors in all seasons as the resolution is increased. Two simulations at a spatial resolution of 0.0715°, driven by the global model CMCC‐CM, were performed over the period 1971–2100, employing the IPCC RCP4.5 and RCP8.5 scenarios. Climate projections show a significant warming expected in Italy at the end of the 21st century, along with a general reduction in precipitation, particularly evident in spring and summer.
Development and validation of a rapid ultra high performance liquid chromatography with tandem mass spectrometry method for the simultaneous determination of darunavir, ritonavir, and tenofovir in human plasma: Application to human pharmacokinetics
Authors: Reddy Ambavaram Vijaya Bhaskar , Jaafar Jafariah , Aris Azmi Bin , Majid Zaiton Abdul , Umar Khalid , Talib Juhaizah , Madhavi Gajulapalle
Published: May 2015

A sensitive ultra high performance liquid chromatography with tandem mass spectrometry method was developed for the simultaneous determination of darunavir, ritonavir and tenofovir in human plasma. Sample preparation involved a simple liquid–liquid extraction using 200 μL of human plasma extracted with methyl tert‐butyl ether for three analytes and internal standard. The separation was accomplished on an Acquity UPLC BEH C18 (50 mm x 2.1 mm, 1.7 μm) analytical column using gradient elution of acetonitrile/methanol (80:20, v/v) and 5.0 mM ammonium acetate containing 0.01% formic acid at a flow rate of 0.4 mL/min. The linearity of the method ranged between 20.0 and 12 000 ng/mL for darunavir, 2.0 and 2280 ng/mL for ritonavir, and 14.0 and 1600 ng/mL for tenofovir using 200 μL of plasma. The method was completely validated for its selectivity, sensitivity, linearity, precision and accuracy, recovery, matrix effect, stability, and dilution integrity. The extraction recoveries were consistent and ranged between 79.91 and 90.04% for all three analytes and internal standard. The method exhibited good intra‐day and inter‐day precision between 1.78 and 6.27%. Finally the method was successfully applied for human pharmacokinetic study in eight healthy male volunteers after the oral administration of 600 mg darunavir along with 100 mg ritonavir and 100 mg tenofovir as boosters.
Stream metabolism and the open diel oxygen method: Principles, practice, and perspectives
Authors: Demars Benoît O. L. , Thompson Joshua , Manson J. Russell
Published: May 2015

Global quantitative estimations of ecosystem functions are vital. Among those, ecosystem respiration and photosynthesis contribute to carbon cycling and energy flow to food webs. These can be estimated in streams with the open channel diel oxygen method (single or two stations) essentially relying on a mass balance of oxygen over a defined reach. The method is generally perceived as low cost and easy to apply with new drift free optic sensors. Yet, it remains challenging on several key issues reviewed here: measurements of gas transfer at the air‐water interface, appropriate mixing of tracers, uncertainty propagation in the calculations, spatial heterogeneity in oxygen concentrations, the derivation of net primary production (NPP) or autotrophic respiration, and the temperature dependence of photosynthesis and respiration. An extremely simple modeling tool is presented in an Excel workbook recommended for teaching the basic principles of the method. The only method able to deal with stream spatial heterogeneity is the method by Demars et al. Example data, Excel workbook, and R script are provided to run stream metabolism calculations. Direct gas exchange determination is essential in shallow turbulent streams, but modeling may be more accurate in large (deep) rivers. Lateral inflows should be avoided or well characterized. New methods have recently been developed to estimate NPP using multiple diel oxygen curves. The metabolic estimates should not be systematically temperature corrected to compare streams. Other recent advances have improved significantly the open channel diel oxygen method, notably the estimation of respiration during daylight hours.
All‐Dry Fabrication of Poly(methacrylic acid)‐Based Membranes with Controlled Dissolution Behavior
Authors: Seidel Scott , Chu Cheong Christopher , Kwong Philip , Gupta Malancha
Published: May 2015

The all‐dry fabrication of porous poly(methacrylic acid)‐based membranes displaying tunable dissolution behaviors in aqueous media is presented. Poly(methacrylic acid) (PMAA) membranes were fabricated using a low temperature, solventless technique with gaseous initiator and monomer precursors. The PMAA was then converted to poly(methacrylic acid‐co‐methacrylic anhydride) by thermal annealing. By controlling the annealing time, the methacrylic anhydride (MAN) content was varied, which allowed for the dissolution behavior to be tuned. The incorporation of MAN moieties in the membranes also allowed for crosslinking via a vapor phase reaction with 1,3‐diaminopropane. The membranes can be deposited on a variety of substrates, including gauze.