bluuebunny/crossref_metadata_2025 huggingface dataset:
Donor‐π‐Acceptors Containing the 10‐(1,3‐Dithiol‐2‐ylidene)anthracene Unit for Dye‐Sensitized Solar Cells
Authors: Bouit Pierre‐Antoine , Marszalek Magdalena , Humphry‐Baker Robin , Viruela Rafael , Ortí Enrique , Zakeeruddin Shaik M. , Grätzel Michael , Delgado Juan Luis , Martín Nazario
Published: August 2012

Two donor–acceptor molecular tweezers incorporating the 10‐(1,3‐dithiol‐2‐ylidene)anthracene unit as donor group and two cyanoacrylic units as accepting/anchoring groups are reported as metal‐free sensitizers for dye‐sensitized solar cells. By changing the phenyl spacer with 3,4‐ethylenedioxythiophene (EDOT) units, the absorption spectrum of the sensitizer is red‐shifted with a corresponding increase in the molar absorptivity. Density functional calculations confirmed the intramolecular charge‐transfer nature of the lowest‐energy absorption bands. The new dyes are highly distorted from planarity and are bound to the TiO2 surface through the two anchoring groups in a unidentate binding form. A power‐conversion efficiency of 3.7 % was obtained with a volatile CH3CN‐based electrolyte, under air mass 1.5 global sunlight. Photovoltage decay transients and ATR‐FTIR measurements allowed us to understand the photovoltaic performance, as well as the surface binding, of these new sensitizers.
ChemInform Abstract: Metallic Properties of Ba2Cu3P4 and BaCu2Pn2 (Pn: As, Sb).
Authors: Saparov Bayrammurad , Sefat Athena S.
Published: August 2012

Needle‐shaped crystals of Ba2Cu3P4 and plate‐like crystals of BaCu2As2 and α‐BaCu2Sb2, a new polymorph of BaCu2Sb2, are prepared from the elements in a molten Sn or Pb flux (950 °C, 20—24 h).
ChemInform Abstract: K2NaOsO5.5 and K3NaOs2O9: The First Osmium Perovskites Containing Alkali Cations at the “A” Site.
Authors: Mogare Kailash M. , Klein Wilhelm , Jansen Martin
Published: August 2012

K2NaOsO5.5 (I) and K3NaOs2O9 (II) are synthesized by solid state reaction of mixtures of KO2, Na2O2, and Os powder in the ratio 2:0.5:1 and 2:1:2, resp.
ChemInform Abstract: Envirocat (K10‐MX)‐Catalyzed Regioselective Transformation of Alkenes into Iodohydrins and β‐Iodo Ethers and Further Conversion of Iodohydrins to Epoxides Using Al2O3—Na2CO3 under MWI.
Authors: Shallu Shallu , Sharma M. L. , Singh Jasvinder
Published: August 2012

Envirocats, prepared by treating montmorillonite K10 clay with aqueous solutions of metal salts (MX), are found to be efficient catalysts for the regioselective formation of iodohydrins or related β‐iodo ethers from alkenes under microwave irradiations.
ChemInform Abstract: Formal Intramolecular [4 + 1]‐Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait.
Authors: Beaumier Francis , Dupuis Marianne , Spino Claude , Legault Claude Y.
Published: August 2012

A variety of electron‐deficient dienes bearing a 2,2‐dialkoxy‐Δ3‐1,3,4‐oxadiazoline moiety as source for the dialkoxycarbene is transformed to cyclopenta‐fused five‐, six‐, and seven‐membered O‐heterocyclic rings.
ChemInform Abstract: Facile Construction of [6,6]‐, [6,7]‐, [6,8]‐, and [6,9]Ring‐Fused Triazole Frameworks by Copper‐Catalyzed, Tandem, One‐Pot, Click and Intramolecular Arylation Reactions: Elaboration to Fused Pentacyclic Derivatives.
Authors: Reddy M. Nagarjuna , Swamy K. C. Kumara
Published: August 2012

The copper‐catalyzed click reaction of O‐alkynyl‐iodophenols with benzyl‐ or arylazides affords the triazole ring which is subsequently arylated to provide the title tricycles (36 examples).
ChemInform Abstract: WCl6 as an Efficient Heterogeneous and Reusable Catalyst for the Preparation of 14‐Aryl‐14H‐dibenzo[a,j]xanthenes with High TOF.
Authors: Zolfigol Mohammad Ali , Moosavi‐Zare Ahmad Reza , Arghavani‐Hadi Parastoo , Zare Abdolkarim , Khakyzadeh Vahid , Darvishi Ghasem
Published: August 2012

The present protocol is characterized by clean reactions, simple purification, short reaction times and, as compared to established methods, higher turn over frequencies.
ChemInform Abstract: Simple and Facile Benzylic C—H Oxidation Using (Diacetoxyiodo)benzene and Catalytic Sodium Azide.
Authors: Telvekar Vikas N. , Sasane Kulbhushan A.
Published: August 2012

The advantages of the protocol are mild reaction conditions and short reaction times.
ChemInform Abstract: Synthesis of Vicinal Diamino‐endo,cis‐Norbornene Derivatives.
Authors: Hossain Delwar , Lavoie Gino G.
Published: August 2012

A variety of title diamino‐endo,cis‐norbornenes bearing tolylamino or perfluorophenylamino substituents is prepared.
ChemInform Abstract: Furanoside Phosphite—Phosphoroamidite and Diphosphoroamidite Ligands Applied to Asymmetric Cu‐Catalyzed Allylic Substitution Reactions.
Authors: Magre Marc , Mazuela Javier , Dieguez Montserrat , Pamies Oscar , Alexakis Alexandre
Published: August 2012

The best results are obtained with the shown ligand.
ChemInform Abstract: Trifluoromethanesulfonic Acid Promoted Dakin—West Reaction: An Efficient and Convenient Synthesis of β‐Acetamido Ketones.
Authors: Kumbhare Ravindra M. , Sridhar Madabhushi
Published: August 2012

β‐Acetamido ketones (IV) are obtained efficiently by condensation of an acetophenone with an aromatic aldehyde and acetonitrile in the presence of acetyl chloride and triflic acid as activators.
ChemInform Abstract: A Highly Efficient Copper‐Catalyzed Method for the Synthesis of 2‐Hydroxybenzamides in Water.
Authors: Balkrishna Shah Jaimin , Kumar Sangit
Published: August 2012

An efficient two‐step synthesis of salicyclic amides and analogues is developed.
ChemInform Abstract: Palladium Nanoparticles on Thermoresponsive Hydrogels and Their Application as Recyclable Suzuki—Miyaura Coupling Reaction Catalysts in Water.
Authors: Hong Myeng Chan , Choi Myung Chan , Chang Young Wook , Lee Yongwoo , Kim Jongsik , Rhee Hakjune
Published: August 2012

The catalyst can be recycled and reused for at least ten runs without loss of activity.
ChemInform Abstract: Water‐Promoted One‐Pot Vinylogous Mannich‐Type Reaction of Trimethylsilyloxyfuran.
Authors: Landelle Gregory , Claraz Aurelie , Oudeyer Sylvain , Levacher Vincent
Published: August 2012

The formation of imines from aldehydes and amines generates water which promotes the one‐pot Mannich reaction of trimethylsilyloxyfuran under neat conditions.
ChemInform Abstract: Metal‐Free Tandem Friedel—Crafts/Lactonization Reaction to Benzofuranones Bearing a Quaternary Center at C‐3 Position.
Authors: Chen Long , Zhou Feng , Shi Tao‐Da , Zhou Jian
Published: August 2012

3,3‐Diaryl‐ and 3‐alkyl‐3‐arylbenzofuranones are prepared with a high substitution pattern at the aromatic site, which allows further functionalization.
ChemInform Abstract: Phenyliodine Bis(trifluoroacetate)‐Mediated Oxidative C—C Bond Formation: Synthesis of 3‐Hydroxy‐2‐oxindoles and Spirooxindoles from Anilides.
Authors: Wang Junwei , Yuan Yucheng , Xiong Rui , Zhang‐Negrerie Daisy , Du Yunfei , Zhao Kang
Published: August 2012

Various anilides bearing an ethoxycarbonyl group as terminal function can be transformed to the desired 3‐ hydroxy‐2‐oxindole structures.
ChemInform Abstract: Preparation and Characterization of Aryl or Heteroaryl(3‐indolyl)methylium o‐Benzenedisulfonimides.
Authors: Barbero Margherita , Cadamuro Silvano , Cauda Fabrizio , Dughera Stefano , Gervasio Giuliana , Venturello Paolo
Published: August 2012

Treatment of the indole (I) with aromatic aldehydes and the imine (II) allows access to new stable title compounds like (IV).
ChemInform Abstract: 1,3‐Dipolar Cycloadditions of New 2,5‐Bifunctionalized Five‐Membered Cyclic Nitrones.
Authors: Buchlovic Marian , Hebanova Simona , Potacek Milan
Published: August 2012

Recently synthesized nitrones are investigated in 1,3‐dipolar cycloaddition.
ChemInform Abstract: A Bifunctional Catalyst for Carbon Dioxide Fixation: Cooperative Double Activation of Epoxides for the Synthesis of Cyclic Carbonates.
Authors: Ema Tadashi , Miyazaki Yuki , Koyama Shohei , Yano Yuya , Sakai Takashi
Published: August 2012

A highly active Mg‐porphyrin catalyst for the synthesis of cyclic carbonates from epoxides and CO2 under solvent‐free conditions showing a TON of up to 103000 is presented.
ChemInform Abstract: Synthesis of Annulated Benzimidazoles via Amidine Cyclization.
Authors: Liubchak Kostiantyn , Nazarenko Kostiantyn , Tolmachev Andrey
Published: August 2012

The synthesis of the title compounds is achieved via two alternative routes.
ChemInform Abstract: Straightforward One‐Pot Synthesis of Benzofuroxans from o‐Halonitrobenzenes in Ionic Liquids.
Authors: Sheremetev Aleksei B. , Aleksandrova Nataliya S. , Ignat'ev Nikolai V. , Schulte Michael
Published: August 2012

Treatment of o‐halonitrobenzenes with sodium azide in an [empyrr] BF4/Bu4NBr/H2O system gives benzofuroxans in high yields.
ChemInform Abstract: “Ligand‐Free” Palladium‐Catalyzed Direct C—H Bond Oxidative Acyloxylation of 2‐Arylpyridines with Aromatic Carboxylic Acids.
Authors: Hu Chao‐Jun , Zhang Xiao‐Hong , Ding Qiu‐Ping , Lv Ting , Ge Shao‐Peng , Zhong Ping
Published: August 2012

The process gives ortho‐monoacyloxylated products selectively.
ChemInform Abstract: Discovery of S‐777469: An Orally Available CB2 Agonist as an Antipruritic Agent.
Authors: Odan Masahide , et al. et al.
Published: August 2012

The discovery of novel CB2 ligands based on 3‐carbamoyl‐2‐pyridone derivatives (I) by adjusting several positions is reported.
ChemInform Abstract: Iron‐Promoted Tandem Reaction of Anilines with Styrene Oxides via C—C Cleavage for the Synthesis of Quinolines.
Authors: Zhang Yicheng , Wang Min , Li Pinhua , Wang Lei
Published: August 2012

The title reaction produces selectively 3‐aryl derivatives with concomitant loss of one molecule of aryl aldehyde.
ChemInform Abstract: Copper‐Catalyzed Aerobic Intramolecular Carbo‐ and Amino‐Oxygenation of Alkynes for Synthesis of Azaheterocycles.
Authors: Toh Kah Kah , Sanjaya Stephen , Sahnoun Sophian , Chong Sin Yee , Chiba Shunsuke
Published: August 2012

No cyclization occurs if the alkyne moiety is substituted by an alkyl group.
ChemInform Abstract: Palladium‐Catalyzed Intermolecular Cyclocarbonylation of 2‐Iodoanilines with the Michael Acceptor, Diethyl Ethoxycarbonylbutendienoate.
Authors: Okuro Kazumi , Alper Howard
Published: August 2012

Highly functionalized dihydroquinolines are formed if the triester (IIa) is used.
ChemInform Abstract: Metal‐Free TEMPO‐Catalyzed Oxidative C—C Bond Formation from Csp3—H Bonds Using Molecular Oxygen as the Oxidant.
Authors: Zhang Bo , Cui Yuxin , Jiao Ning
Published: August 2012

The title transformation, providing a simple and efficient approach to modify 9,10‐dihydroacridine derivatives at the 9 position, proceeds under mild and neutral conditions, even in the absence of solvents.
ChemInform Abstract: 4‐Amino‐5‐(arylaminomethyl)‐2‐(methylthio)furo[2,3‐d]pyrimidines via Mitsunobu Reaction of 4‐Amino‐5‐(hydroxymethyl)‐2‐(methylthio)furo[2,3‐d]pyrimidine with N‐Mesyl‐ and N‐Nosylarylamines.
Authors: Masevicius Viktoras , Petraityte Grazina , Tumkevicius Sigitas
Published: August 2012

Mitsunobu reaction of N‐nosyl and N‐mesylarylamines with pyrimidine (II) allows the introduction of various arylamino units.
ChemInform Abstract: Is CO2 Fixation Promoted Through the Formation of DBU Bicarbonate Salt?
Authors: Mizuno Takumi , Nakai Takeo , Mihara Masatoshi
Published: August 2012

Carbonylation of o‐aminobenzonitriles (I) with CO2 in the presence of DBU bicarbonate salt at elevated temperatures affords quinazolinediones (III) in good to excellent yields.
ChemInform Abstract: Synthesis of Modified Uracil and Cytosine Nucleobases Using a Microwave‐Assisted Method.
Authors: Burgula Laxmi Narayana , Radhakrishnan K. , Kundu Lal Mohan
Published: August 2012

The reaction of β‐ketoesters (Ia‐c) or the aldehyde analogue (Id) with urea proceeds under microwave irradiation in the presence of BF3·OEt2 to yield nucleobases (III).
ChemInform Abstract: Preparation of Allyl and Vinyl Silanes by the Palladium‐Catalyzed Silylation of Terminal Olefins: A Silyl‐Heck Reaction.
Authors: McAtee Jesse R. , Martin Sara E. S. , Ahneman Derek T. , Johnson Keywan A. , Watson Donald A.
Published: August 2012

The use of BPP is the key for the title synthesis.
ChemInform Abstract: Solvent‐Free and Three‐Component Synthesis of 1H,6H‐6λ5‐[1,2]Benzoxaphospholo[2,3‐b] [1,2]benzoxaphosphol‐1‐ones.
Authors: Adib Mehdi , Sheikhi Ehsan , Bagheri Mehdi , Bijanzadeh Hamid Reza , Amanlou Masoud
Published: August 2012

The title compounds can be prepared via a one‐pot method without any activation or modification of the starting materials and reagents.
ChemInform Abstract: Unambiguous Structure of Atractyloside and Carboxyatractyloside.
Authors: Sanchez Jean‐Frederic , Kauffmann Brice , Grelard Axelle , Sanchez Corinne , Trezeguet Veronique , Huc Ivan , Lauquin Guy J.‐M.
Published: August 2012

In contrast to the hitherto controversial information about the glycon stereostructure in atractyloside (Ia) and carboxyatractyloside (Ib), the anomeric structure in both diterpenoid glycosides is unambiguously determined by X‐ray crystallography studies now.
ChemInform Abstract: Pimarane Diterpenes form the Fungus Epicoccum sp. HS‐1 Associated with Apostichopus japonicus.
Authors: Xia Xuekui , Zhang Jianye , Zhang Yonggang , Wei Fang , Liu Xin , Jia Airong , Liu Changheng , Li Wei , She Zhigang , Lin Yongcheng
Published: August 2012

Three new pimarane diterpenes (I)—(III) and a known structurally related compound are isolated from the marine‐derived fungus HS‐1 associated with a sea cucumber.
ChemInform Abstract: Sinularioside, a Triacetylated Glycolipid from the Indonesian Soft Coral Sinularia sp., Is an Inhibitor of NO Release.
Authors: Putra Masteria Yunovilsa , Ianaro Angela , Panza Elisabetta , Bavestrello Giorgio , Cerrano Carlo , Fattorusso Ernesto , Taglialatela‐Scafati Orazio
Published: August 2012

Title compound (I) moderately inhibits LPS‐induced NO release, providing interesting insights into the poorly understood SAR for anti‐inflammatory glycolipids.
ChemInform Abstract: Fluorescent Nucleosides with “On‐Off” Switching Function, pH‐Responsive Fluorescent Uridine Derivatives.
Authors: Saito Yoshio , Miyamoto Shigenori , Suzuki Azusa , Matsumoto Katsuhiko , Ishihara Tsutomu , Saito Isao
Published: August 2012

Various pH‐responsive fluorescent deoxyuridine derivatives (I) are synthesized by Sonogashira cross‐coupling reactions.
ChemInform Abstract: Quantitative Advances in the Zintl‐Klemm Formalism
Authors: Miller Gordon J. , Schmidt Michael W. , Wang Fei , You Tae‐Soo
Published: August 2012

Review: 203 refs.
ChemInform Abstract: Physics, Chemistry and Synthesis Methods of Nanostructured Bismuth Ferrite (BiFeO3) as a Ferroelectro‐magnetic Material
Authors: Safi R. , Shokrollahi H.
Published: August 2012

Review: 106 refs.
ChemInform Abstract: Applications of Carboxylate‐Alumoxane Nanostructures
Authors: Derakhshan Ali Ashraf , Rajabi Laleh
Published: August 2012

Review: 94 refs.
ChemInform Abstract: Recent Advances and Applications of Iridium‐Catalyzed Asymmetric Allylic Substitution
Authors: Tosatti Paolo , Nelson Adam , Marsden Stephen P.
Published: August 2012

Review: 117 refs.
ChemInform Abstract: Preparative Biotransformations: Oxidation of Alcohols
Authors: Romano Diego , Villa Raffaella , Molinari Francesco
Published: August 2012

Review: 94 refs.
ChemInform Abstract: Organocatalysis with Dendrimers
Authors: Caminade Anne‐Marie , Ouali Armelle , Keller Michel , Majoral Jean‐Pierre
Published: August 2012

Review: 64 refs.
ChemInform Abstract: Diversity‐Oriented Synthesis: Producing Chemical Tools for Dissecting Biology
Authors: O'Connor Cornelius J. , Beckmann Henning S. G. , Spring David R.
Published: August 2012

Review: 96 refs.
ChemInform Abstract: The Development of FtsZ Inhibitors as Potential Antibacterial Agents
Authors: Ma Siti , Ma Shutao
Published: August 2012

Review: ca. 100 refs.
ChemInform Abstract: Cleaving Carbon—Carbon Bonds by the Release of Trifluoroacetate to Remodel Molecules and Assemble Fluorinated Structures
Authors: Han Changho , Kim Eun Hoo , Colby David A.
Published: August 2012

Review: 27 refs.
ChemInform Abstract: Solvatochromic Parameters for Solvents of Interest in Green Chemistry
Authors: Jessop Philip G. , Jessop David A. , Fu Dongbao , Phan Lam
Published: August 2012

Review: 118 refs.
ChemInform Abstract: Complexity Through Recombination: From Chemistry to Biology
Authors: Lehman Niles , Arenas Carolina Diaz , White Wesley A. , Schmidt Francis J.
Published: August 2012

Review: 86 refs.
ChemInform Abstract: Recent Advances in Steroidal Supramolecular Gels
Authors: Svobodova Hana , Noponen Virpi , Kolehmainen Erkki , Sievaenen Elina
Published: August 2012

Review: 112 refs.
ChemInform Abstract: Small Molecule Semiconductors for High‐Efficiency Organic Photovoltaics
Authors: Lin Yuze , Li Yongfang , Zhan Xiaowei
Published: August 2012

Review: 253 refs.
ChemInform Abstract: Supramolecular Systems Based on Cationic Surfactants and Amphiphilic Macrocycles
Authors: Zakharova L. Ya. , Konovalov A. I.
Published: August 2012

Review: 65 refs.
Fires and Explosions within Risk Analysis
Authors: Hauptmanns Ulrich
Published: August 2012

Die Vorgehensweise bei der Risikoermittlung wird anhand des Ereignisablaufs nach einer schlagartigen Freisetzung von gasförmigem Propylen behandelt. Die dazu erforderlichen Modelle für Feuerball, Gaswolkenfeuer und Explosion werden vorgestellt, ihre Unsicherheiten und Sensitivitäten werden diskutiert und anhand numerischer Beispiele verdeutlicht. Modellierungs‐ und Datenunsicherheiten sowie Unsicherheiten bei der Wahrscheinlichkeitsbewertung von Ereignisabläufen werden charakterisiert; ihre mathematische Behandlung wird gezeigt. Es werden deterministische und probabilistische Rechnungen durchgeführt und miteinander verglichen.
Endlagerung radioaktiver Abfälle
Authors: Geckeis Horst , Röhlig Klaus‐Jürgen , Mengel Kurt
Published: August 2012

Chemische Prozesse spielen im Endlager dann eine Rolle, wenn Wasser in den Endlagerbereich vordringt. Das Ausmaß einer möglichen Radionuklidfreisetzung wird durch eine Vielzahl von radio‐, geo‐ und biochemischen Reaktionen bestimmt. Im unmittelbaren Nahbereich der Abfälle beeinflussen im wesentlichen Radiolysereaktionen und Korrosion von Abfallformen, Behälter‐ und Versatzmaterialien das chemische Milieu. Im Fernfeld können freigesetzte Radionuklide mit gelösten und kolloidalen Grundwasserinhaltsstoffen sowie Mineraloberflächen wechselwirken. Für den Langzeitsicherheitsnachweis eines Endlagers wird mit Hilfe moderner experimenteller und theoretischer Methoden das chemische Verhalten von Abfallbestandteilen aufgeklärt und die Reaktionen durch thermodynamischen Daten quantifiziert.
Designing Multitarget Anti‐inflammatory Agents: Chemical Modulation of the Lumiracoxib Structure toward Dual Thromboxane Antagonists–COX‐2 Inhibitors
Authors: Bertinaria Massimo , Shaikh Mohammed Abrar Abdul Gaffar , Buccellati Carola , Cena Clara , Rolando Barbara , Lazzarato Loretta , Fruttero Roberta , Gasco Alberto , Hoxha Malvina , Capra Valérie , Sala Angelo , Rovati G. Enrico
Published: August 2012

A series of lumiracoxib derivatives were designed to explore the influence of isosteric substitution on balancing COX‐2 inhibition and thromboxane A2 prostanoid (TP) receptor antagonism. The compounds were synthesized through a copper‐catalyzed coupling procedure and characterized for their pKa values. TP receptor antagonism was assessed on human platelets; COX‐2 inhibition was determined on human isolated monocytes and human whole blood. TPα receptor binding of the most promising compounds was evaluated through radioligand binding assays. Some of the isosteric substitutions at the carboxylic acid group afforded compounds with improved TP receptor antagonism; of these, a tetrazole derivative retained good COX‐2 inhibitory activity and selectivity. The identification of this tetrazole acting as a balanced dual‐acting compound in human whole blood, along with SAR analysis of the synthesized lumiracoxib derivatives, might contribute to the rational design of a new class of cardioprotective anti‐inflammatory agents.
Synthesis and Biological Evaluation of CTP Synthetase Inhibitors as Potential Agents for the Treatment of African Trypanosomiasis
Authors: Tamborini Lucia , Pinto Andrea , Smith Terry K. , Major Louise L. , Iannuzzi Maria C. , Cosconati Sandro , Marinelli Luciana , Novellino Ettore , Lo Presti Leonardo , Wong Pui E. , Barrett Michael P. , De Micheli Carlo , Conti Paola
Published: August 2012

Acivicin analogues with an increased affinity for CTP synthetase (CTPS) were designed as potential new trypanocidal agents. The inhibitory activity against CTPS can be improved by increasing molecular complexity, by inserting groups able to establish additional interactions with the binding pocket of the enzyme. This strategy has been pursued with the synthesis of α‐amino‐substituted analogues of Acivicin and N1‐substituted pyrazoline derivatives. In general, there is direct correlation between the enzymatic activity and the in vitro anti‐trypanosomal efficacy of the derivatives studied here. However, this cannot be taken as a general rule, as other important factors may play a role, notably the ability of uptake/diffusion of the molecules into the trypanosomes.
Provider factors associated with disparities in human papillomavirus vaccination among low‐income 9‐ to 17‐year‐old girls
Authors: Vadaparampil Susan T. , Staras Stephanie A. S. , Malo Teri L. , Eddleton Katie Z. , Christie Juliette , Rodriguez Maria , Giuliano Anna R. , Shenkman Elizabeth A.
Published: August 2012

BACKGROUND:

Many women who develop cervical cancer are eligible for or are participants of Medicaid. Providing human papillomavirus (HPV) vaccination to girls enrolled in Medicaid may reduce cervical cancer disparities in low‐income and minority women. This study evaluated provider characteristics associated with HPV vaccination among 9‐ to 17‐year‐old female Medicaid enrollees.

METHODS:

A random sample of 800 providers from the Florida Medicaid Master Provider File was mailed a survey in October 2009 that evaluated demographic and practice characteristics, HPV information and knowledge, barriers to HPV vaccination, vaccine practices, and vaccine recommendation practices. To measure HPV vaccination, Medicaid claims data were used to calculate the proportion of eligible patients who received at least 1 dose of the vaccine from participating providers within the study period. Provider factors associated with vaccination at the bivariate level were evaluated in a multiple linear regression model.

RESULTS:

The response rate was 68.3% (N = 485). After excluding ineligible respondents, the current analysis included 433 providers. HPV vaccination prevalence ranged from 0% to 61.9% (M = 20.4, standard deviation = 14.5). HPV vaccination rates were higher among providers who were pediatricians, had a private practice, practiced in a single specialty setting, were providers under the Vaccines for Children program, saw primarily non‐Hispanic white patients, used 2 or more strategies for vaccine series completion, and did not refer out for HPV vaccination.

CONCLUSIONS:

Despite financial coverage for Medicaid‐eligible girls, HPV vaccination rates are low. Study findings can be used to target health services interventions to providers least likely to administer HPV vaccine to female Medicaid enrollees. Cancer 2013. © 2012 American Cancer Society.
Augmented Lagrange methods for quasi‐incompressible materials—Applications to soft biological tissue
Authors: Brinkhues S. , Klawonn A. , Rheinbach O. , Schröder J.
Published: August 2012

Arterial walls in the healthy physiological regime are characterized by quasi‐incompressible, anisotropic, hyperelastic material behavior. Polyconvex material functions representing such materials typically incorporate a penalty function to account for the incompressibility. Unfortunately, the penalty will affect the conditioning of the stiffness matrices. For high penalty parameters, the performance of iterative solvers will degrade, and when direct solvers are used, the quality of the solutions will deteriorate. In this paper, an augmented Lagrange approach is used to cope with the quasi‐incompressibility condition. Here, the penalty parameter can be chosen much smaller, and as a consequence, the arising linear systems of equations have better properties. An improved convergence is then observed for the finite element tearing and interconnecting–dual primal domain decomposition method, which is used as an iterative solver. Numerical results for an arterial geometry obtained from ultrasound imaging are presented. Copyright © 2012 John Wiley & Sons, Ltd.
Approaching object detector mouse retina circuit model analysis and implementation on cellular sensor‐processor array
Authors: Zarándy Ákos , Fülöp Tamás
Published: August 2012

Approaching object detector structure has been recently identified in mouse retina, and its neural circuit model has been successfully built. A discrete‐type mathematical model describing the retinal structure has been synthesized and implemented on a biologically motivated focal‐plane mixed‐signal sensor‐processor device. The model responses have been analyzed, and the critical parameters have been identified, and their roles were studied. The model has been validated in real dynamic surround of a robotic arm, where the geometrical and the kinematic parameters of the movements were known. From the mathematical and experimental analysis, it has been concluded that this retinal structure has a capacity to generate a last second warning signal to avoid collisions. Copyright © 2012 John Wiley & Sons, Ltd.
The expanding frontier of hematopoietic cell transplantation
Authors: Spitzer Thomas R. , Dey Bimalangshu R. , Chen Yi‐Bin , Attar Eyal , Ballen Karen K.
Published: August 2012

Over the past several decades there has been a tremendous expansion of the indications for hematopoietic cell transplantation. This growth has been possible because of advances in supportive care, more effective graft versus host disease prophylaxis and the advent of reduced intensity conditioning regimens which have greatly reduced transplant related morbidity and allowed for the transplantation of older patients and patients with significant co‐morbid disease. The role of flow cytometry in transplantation is crucial to both clinical care, for accuracy of diagnosis and monitoring of disease, and research. In this review, we highlight some of the important advances that have been made in the field, including the use of alternative donors for transplantation, novel therapies for the myeloid malignancies, which remain the prototype diseases for transplantation, and advances in diagnosis and treatment of graft versus host disease, which is the principal complication of allogeneic hematopoietic cell transplantation. Future directions in hematopoietic cell transplantation, particularly those that attempt to modulate the post‐transplant cellular environment to favor separation of graft versus host disease from the graft versus tumor effects of the transplant are discussed. © 2012 International Clinical Cytometry Society
Homoploid hybrid origin of Yucca gloriosa: intersectional hybrid speciation in Yucca (Agavoideae, Asparagaceae)
Authors: Rentsch Jeremy D. , Leebens‐Mack Jim
Published: August 2012

There is a growing appreciation for the importance of hybrid speciation in angiosperm evolution. Here, we show that Yucca gloriosa (Asparagaceae: Agavoideae) is the product of intersectional hybridization between Y. aloifolia and Y. filamentosa. These species, all named by Carl Linnaeus, exist in sympatry along the southeastern Atlantic coast of the United States. Yucca gloriosa was found to share a chloroplast haplotype with Y. aloifolia in all populations sampled. In contrast, nuclear gene‐based microsatellite markers in Y. gloriosa are shared with both parents. The hybrid origin of Y. gloriosa is supported by multilocus analyses of the nuclear microsatellite markers including principal coordinates analysis (PCO), maximum‐likelihood hybrid index scoring (HINDEX), and Bayesian cluster analysis (STRUCTURE). The putative parental species share only one allele at a single locus, suggesting there is little to no introgressive gene flow occurring between these species and Y. gloriosa. At the same time, diagnostic markers are segregating in Y. gloriosa populations. Lack of variation in the chloroplast of Y. aloifolia, the putative maternal parent, makes it difficult to rule out multiple hybrid origins of Y. gloriosa, but allelic variation at nuclear loci can be explained by a single hybrid origin of Y. gloriosa. Overall, these data provide strong support for the homoploid hybrid origin of Y. gloriosa.
Preparation of High‐Quality MCM‐48 Mesoporous Silica and the Mode of Action of the Template
Authors: Zhang Kun , Yuan En‐Hui , Xu Lang‐Lang , Xue Qing‐Song , Luo Chen , Albela Belén , Bonneviot Laurent
Published: August 2012

Ultrastable MCM‐48 silica with Ia3d cubic structure was synthesized by using only the surfactant cetyltrimethylammonium tosylate (CTATos) as template at extremely low surfactant concentration (CTATos/SiO2 = 0.068). Characterization by small‐angle X‐ray diffraction (XRD), nitrogen adsorption, and high‐resolution transmission electron microscopy (HRTEM) clearly shows that the obtained MCM‐48 silica has a highly ordered structure and large surface area (ca. 1281 m2/g) and pore volume (ca. 1.07 cm3/g). The regular cubic arrays were well retained even after this material was calcined at a high temperature of 900 °C for 3 h or heated at reflux in boiling water for 12 h. The Fourier transform infrared (FTIR) spectrum, thermogravimetric analysis (TG), and chemical analysis provide strong evidence that the formation of MCM‐48 is attributed to the retention of tosylate (Tos–) counteranions of the surfactant in the interface between surfactant and silicate. The current synthetic strategy is suitable for routine and large‐scale preparations of mesoporous silica with different topological structures.
Arene‐Ruthenium(II) and Bis(allyl)‐Ruthenium(IV) Complexes Containing 2‐(Diphenylphosphanyl)pyridine Ligands: Potential Catalysts for Nitrile Hydration Reactions?
Authors: García‐Álvarez Rocío , García‐Garrido Sergio E. , Díez Josefina , Crochet Pascale , Cadierno Victorio
Published: August 2012

Neutral arene‐ruthenium(II) complexes [RuCl2(η6‐arene){κ1‐(P)‐PPh2py}] and [RuCl2(η6‐arene){κ1‐(P)‐PPh2(py‐4‐NMe2)}] (arene = benzene,p‐cymene, mesitylene, hexamethylbenzene) have been synthesized and studied as potential catalysts for the selective hydration of nitriles to amides using benzonitrile as a model substrate. The effectiveness of these complexes was low due to the high tendency of the 2‐(diphenylphosphanyl)pyridine ligands to form stable κ2‐(P,N)‐chelate rings, as demonstrated by NMR spectroscopy and catalytic experiments performed with the isolated cationic derivatives [RuCl(η6‐arene){κ2‐(P,N)‐P N}][SbF6] [P N = PPh2py, PPh2(py‐4‐NMe2)]. Despite its reluctance to adopt a chelating κ2‐(P,N) coordination mode, cooperative effects of the bulky 2‐(diphenylphosphanyl)pyridine ligand PPh2(py‐6‐tert‐amyl) were not observed in complexes [RuCl2(η6‐arene){κ1‐(P)‐PPh2(py‐6‐tert‐amyl)}] (arene = benzene,p‐cymene). The novel bis(allyl)‐ruthenium(IV) derivatives [RuCl(η3:η3‐C10H16){κ2‐(P,N)‐P N}][SbF6] [P N = PPh2py, PPh2(py‐4‐NMe2)] and [RuCl2(η3:η3‐C10H16){κ1‐(P)‐PPh2(py‐6‐tert‐amyl)}] (C10H16= 2,7‐dimethylocta‐2,6‐diene‐1,8‐diyl) were also synthesized and fully characterized, and again led to modest conversions in the benzonitrile hydration reaction. Improvements in the catalytic activities of complexes [RuCl2(η6‐p‐cymene){κ1‐(P)‐PPh2py}], [RuCl(η6‐p‐cymene){κ2‐(P,N)‐PPh2py}][SbF6] and [RuCl(η3:η3‐C10H16){κ2‐(P,N)‐PPh2py}][SbF6] were observed in the presence of excess PPh2py due to the in situ formation of the catalytically more active dication [Ru{κ2‐(P,N)‐PPh2py}3]2+.
Tolanophane Revisited – Resolution and Racemization Mechanism of a Twisted Chiral Aromatic Compound
Authors: Toyota Shinji , Kawai Katsutoshi , Iwanaga Tetsuo , Wakamatsu Kan
Published: August 2012

Enantiomers of tolanophane consisting of two tolane units were resolved by chiral HPLC, contrary to the previous attempts by Staab et al. Racemization took place rapidly at room temperature, and the barrier to enantiomerization was determined to be 93.2 kJ mol–1 at 283 K. This energy barrier was rationally deduced with a mechanism involving rotations about the single and triple bond axes, as revealed by DFT calculations. A tetrahedrane intermediate resulting from a transannular reaction between the two adjacent triple bonds was ruled out.
Electrophoretic separations in poly(dimethylsiloxane) microchips using mixtures of ionic, nonionic and zwitterionic surfactants
Authors: Guan Qian , Noblitt Scott D. , Henry Charles S.
Published: August 2012

The use of surfactant mixtures to affect both EOF and separation selectivity in electrophoresis with PDMS substrates is reported, and capacitively coupled contactless conductivity detection is introduced for EOF measurement on PDMS microchips. First, the EOF was measured for two nonionic surfactants (Tween 20 and Triton X‐100), mixed ionic/nonionic surfactant systems (SDS/Tween 20 and SDS/Triton X‐100), and finally for the first time, mixed zwitterionic/nonionic surfactant systems (TDAPS/Tween 20 and TDAPS/Triton X‐100). EOF for the nonionic surfactants decreased with increasing surfactant concentration. The addition of SDS or TDAPS to a nonionic surfactant increased EOF. After establishing the EOF behavior, the separation of model catecholamines was explored to show the impact on separations. Similar analyte resolution with greater peak heights was achieved with mixed surfactant systems containing Tween 20 and TDAPS relative to the single surfactant system. Finally, the detection of catecholamine release from PC12 cells by stimulation with 80 mM K+ was performed to demonstrate the usefulness of mixed surfactant systems to provide resolution of biological compounds in complex samples.
Next‐generation bioproduction systems: Cell‐free conversion concepts for industrial biotechnology
Authors: Rupp Steffen
Published: August 2012

Within the last decade, biotechnology gained pace in substituting petro‐based products for the chemical industries. This is visible with the appearance of bio‐based products in the market, from biosurfactants to bio‐based polymers like polylactic acid to bio‐ethylene. These technologies are mainly based on established fermentation technologies fostered by the use of renewable resources, culminating in the establishment of biorefineries that may be connected directly to the existing chemical infrastructure. Besides these large‐scale technologies, the combination of molecular technologies, microfluidic devices, and enzymatic and cell‐free conversions are currently developed to create new bioproduction systems enabling the production of compounds that may not be produced within a cell. This article summarizes some of the current ideas that are currently in development paving the way for a next generation of biotechnology.
An Investigation of the Transdiagnostic Model of Eating Disorders in the Context of Muscle Dysmorphia
Authors: Murray Stuart B. , Rieger Elizabeth , Karlov Lisa , Touyz Stephen W.
Published: August 2012

Aim

Muscle dysmorphia is a psychiatric disorder that has been conceptually linked to eating disorders, although its precise nosology remains unclear. To further investigate this notion, the present study examined the applicability of the transdiagnostic model of eating disorders to muscle dysmorphia.

Method

One hundred and nineteen male undergraduate students completed self‐report measures of multidimensional perfectionism, mood intolerance, self‐esteem, interpersonal problems, and muscle dysmorphia symptomatology.

Results

Self‐oriented perfectionism, socially prescribed perfectionism, mood intolerance, and low self‐esteem significantly predicted muscle dysmorphia symptomatology, whereas other‐oriented perfectionism and interpersonal problems did not demonstrate significant predictive value when accounting for the other transdiagnostic constructs.

Discussion

The transdiagnostic model of eating disorders may potentially be applied to enhance our understanding of the maintenance of muscle dysmorphic features in addition to eating disorder symptomatology. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
Aquatic toxicity of nanosilver colloids to different trophic organisms: Contributions of particles and free silver ion
Authors: Wang Zhuang , Chen Jingwen , Li Xuehua , Shao Jianping , Peijnenburg Willie J.G.M.
Published: August 2012

The wide uses of nanosilver (nAg) have resulted in concerns regarding ecotoxicity to aquatic organisms. Some previous studies have found that the toxicity of nAg is due to the nanoparticles themselves, while others have found that ionic silver (Ag+) released by nAg particles plays an important role. In the present study, the authors quantitatively evaluated the relative contribution of nAg particles and Ag+ to the toxicity to three aquatic organisms of different trophic levels, including an algal species (Raphidocelis subcapitata), a cladoceran species (Chydorus sphaericus), and a freshwater fish larva (Danio rerio). A bare and a polyvinylpyrrolidone (PVP)–coated nAg as well as a monodispersed nAg with a dispersant (DIS-nAg) were examined. The toxicity of the nAg in the form of colloids decreased in the order DIS-nAg > PVP-nAg > Bare-nAg for all three trophic aquatic organisms (in terms of median effect concentration). The DIS-nAg had the highest and Bare-nAg the lowest concentration of free Ag+, implying that free Ag+ cannot be neglected in explaining the toxicity of nAg colloids. Furthermore, the contribution of free Ag+ to the toxicity of nAg colloids for R. subcapitata was the highest but for D. rerio the lowest, implying that the organisms tested have different accumulation abilities for Ag+ or nAg particles. Environ. Toxicol. Chem. 2012; 31: 2408–2413. © 2012 SETAC
Methods for predicting the rate constant for uptake of organic chemicals from water by fish
Authors: Brooke David N. , Crookes Michael J. , Merckel Daniel A.S.
Published: August 2012

Bioaccumulation is an important information requirement for chemicals risk assessment. The most widely used test guideline for measuring bioaccumulation in fish is the OECD 305 test guideline and, in the future, it is likely to include a dietary exposure method for substances that are difficult to test by the more usual aqueous exposure route. This new method results in a biomagnification factor (BMF), whereas for regulatory purposes a bioconcentration factor (BCF) is often required. Therefore, being able to estimate a BCF quantitatively from the data generated in the dietary study would meet an accepted regulatory need. The information generated by the dietary study includes the depuration rate constant. To use these data to estimate a BCF, an estimate of the rate constant for uptake from water is needed, allowing a kinetic BCF to be calculated. The present study considers and tests methods that are currently available for predicting uptake rate constants from water using a database of bioconcentration data. A number of methods were found to perform similarly when tested with substances with a log KOW range of approximately 3.5 to 8.2. The uncertainty in the estimated uptake rate constant was relatively large, however, even for the best performing methods. Environ. Toxicol. Chem. 2012; 31: 2465–2471. © 2012 SETAC
Side chain influencing the interaction between β‐cyclodextrin and vanillin
Authors: Zeng Zhangfu , Fang Yanxiong , Ji Hongbing
Published: August 2012

The reason for low encapsulation efficiency of vanillin compared to p‐hydroxybenzaldehyde within β‐cyclodextrin was investigated. Fourier transform infrared spectra proved intermolecular interaction between guest and β‐cyclodextrin. UV–visible studies indicated that vanillin and p‐hydroxybenzaldehyde form 1:1 inclusion complexes with β‐cyclodextrin. Nuclear magnetic resonance and quantum computational methods gave the most favourable orientation in which the guest molecule (vanillin or p‐hydroxybenzaldehyde) is totally sequestered in the hydrophobic cavity of the cyclodextrin with the phenolic end located near the primary hydroxyls of the β‐cyclodextrin and the aldehyde group near the secondary hydroxyls with hydrogen bonding formation. Encapsulation efficiency of the β‐cyclodextrin inclusion with vanillin is about 29% lower than that with p‐hydroxybenzaldehyde. This result could be attributable to the effect that the side chain methoxy group weakened the guest/host non‐covalent intermolecular interaction, specifically, hydrogen bond interaction. Copyright © 2012 John Wiley & Sons, Ltd.
A Fast and Noise‐Resilient Approach to Detect Rare‐Variant Associations With Deep Sequencing Data for Complex Disorders
Authors: Cheung Yee Him , Wang Gao , Leal Suzanne M. , Wang Shuang
Published: August 2012

Next generation sequencing technology has enabled the paradigm shift in genetic association studies from the common disease/common variant to common disease/rare‐variant hypothesis. Analyzing individual rare variants is known to be underpowered; therefore association methods have been developed that aggregate variants across a genetic region, which for exome sequencing is usually a gene. The foreseeable widespread use of whole genome sequencing poses new challenges in statistical analysis. It calls for new rare‐variant association methods that are statistically powerful, robust against high levels of noise due to inclusion of noncausal variants, and yet computationally efficient. We propose a simple and powerful statistic that combines the disease‐associated P‐values of individual variants using a weight that is the inverse of the expected standard deviation of the allele frequencies under the null. This approach, dubbed as Sigma‐P method, is extremely robust to the inclusion of a high proportion of noncausal variants and is also powerful when both detrimental and protective variants are present within a genetic region. The performance of the Sigma‐P method was tested using simulated data based on realistic population demographic and disease models and its power was compared to several previously published methods. The results demonstrate that this method generally outperforms other rare‐variant association methods over a wide range of models. Additionally, sequence data on the ANGPTL family of genes from the Dallas Heart Study were tested for associations with nine metabolic traits and both known and novel putative associations were uncovered using the Sigma‐P method.
Recent advances in carbon dioxide capture with metal‐organic frameworks
Authors: Liu Yangyang , Wang Zhiyong U. , Zhou Hong‐Cai
Published: August 2012

Uncontrolled massive release of the primary greenhouse gas carbon dioxide (CO2) into atmosphere from anthropogenic activities poses a big threat and adversely affects our global climate and natural environment. One promising approach to mitigate CO2 emission is carbon capture and storage (CCS), in which ideal adsorbent materials with high storage capacity and excellent adsorption selectivity over other gases are urgently needed. For practical applications in CO2 capture from flue gas of power plants, the biggest single contributor of anthropogenic CO2 emission, the adsorbent materials must also be chemically stable, be easy to regenerate with minimal energy input, and be easily synthesized with low capital cost. Metal‐organic frameworks (MOFs), highly crystalline porous materials constructed by metal ions and organic ligands, have emerged as a class of excellent adsorbent materials for carbon capture. Great progress in MOF materials for CO2 capture has been made in the past and reviewed accordingly, but new discoveries are constantly being made as the field quickly grows. In this paper, we provide a short review on the most recent advances in using MOFs for CO2 adsorption, storage, and separation that are directly related to CO2 capture. Some of the important properties of MOF adsorbents which are crucial for practical applications but are largely overlooked in research carried out so far are discussed. © 2012 Society of Chemical Industry and John Wiley & Sons, Ltd
Astrocytic CX43 hemichannels and gap junctions play a crucial role in development of chronic neuropathic pain following spinal cord injury
Authors: Chen Michael J. , Kress Benjamin , Han Xiaoning , Moll Katherine , Peng Weiguo , Ji Ru‐Rong , Nedergaard Maiken
Published: August 2012

Chronic neuropathic pain is a frequent consequence of spinal cord injury (SCI). Yet despite recent advances, upstream releasing mechanisms and effective therapeutic options remain elusive. Previous studies have demonstrated that SCI results in excessive ATP release to the peritraumatic regions and that purinergic signaling, among glial cells, likely plays an essential role in facilitating inflammatory responses and nociceptive sensitization. We sought to assess the role of connexin 43 (Cx43) as a mediator of CNS inflammation and chronic pain. To determine the extent of Cx43 involvement in chronic pain, a weight‐drop SCI was performed on transgenic mice with Cx43/Cx30 deletions. SCI induced robust and persistent neuropathic pain including heat hyperalgesia and mechanical allodynia in wild‐type control mice, which developed after 4 weeks and was maintained after 8 weeks. Notably, SCI‐induced heat hyperalgesia and mechanical allodynia were prevented in transgenic mice with Cx43/Cx30 deletions, but fully developed in transgenic mice with only Cx30 deletion. SCI‐induced gliosis, detected as upregulation of glial fibrillary acidic protein in the spinal cord astrocytes at different stages of the injury, was also reduced in the knockout mice with Cx43/Cx30 deletions, when compared with littermate controls. In comparison, a standard regimen of post‐SCI treatment of minocycline attenuated neuropathic pain to a significantly lesser degree than Cx43 deletion. These findings suggest Cx43 is critically linked to the development of central neuropathic pain following acute SCI. Since Cx43/Cx30 is expressed by astrocytes, these findings also support an important role of astrocytes in the development of chronic pain. © 2012 Wiley Periodicals, Inc.
Proinflammatory cytokine regulation of cyclic AMP‐phosphodiesterase 4 signaling in microglia in vitro and following CNS injury
Authors: Ghosh Mousumi , Garcia‐Castillo Daniela , Aguirre Vladimir , Golshani Roozbeh , Atkins Coleen M. , Bramlett Helen M. , Dietrich W. Dalton , Pearse Damien D.
Published: August 2012

Cyclic AMP suppresses immune cell activation and inflammation. The positive feedback loop of proinflammatory cytokine production and immune activation implies that cytokines may not only be regulated by cyclic AMP but also conversely regulate cyclic AMP. This study examined the effects of tumor necrosis factor (TNF)‐α and interleukin (IL)‐1β on cyclic AMP‐phosphodiesterase (PDE) signaling in microglia in vitro and after spinal cord injury (SCI) or traumatic brain injury (TBI). TNF‐α or IL‐1β stimulation produced a profound reduction (>90%) of cyclic AMP within EOC2 microglia from 30 min that then recovered after IL‐1β but remained suppressed with TNF‐α through 24 h. Cyclic AMP was also reduced in TNF‐α‐stimulated primary microglia, albeit to a lesser extent. Accompanying TNF‐α‐induced cyclic AMP reductions, but not IL‐1β, was increased cyclic AMP‐PDE activity. The role of PDE4 activity in cyclic AMP reductions was confirmed by using Rolipram. Examination of pde4 mRNA revealed an immediate, persistent increase in pde4b with TNF‐α; IL‐1β increased all pde4 mRNAs. Immunoblotting for PDE4 showed that both cytokines increased PDE4A1, but only TNF‐α increased PDE4B2. Immunocytochemistry revealed PDE4B nuclear translocation with TNF‐α but not IL‐1β. Acutely after SCI/TBI, where cyclic AMP levels are reduced, PDE4B was localized to activated OX‐42+ microglia; PDE4B was absent in OX‐42+ cells in uninjured spinal cord/cortex or inactive microglia. Immunoblotting showed PDE4B2 up‐regulation from 24 h to 1 wk post‐SCI, the peak of microglia activation. These studies show that TNF‐α and IL‐1β differentially affect cyclic AMP‐PDE signaling in microglia. Targeting PDE4B2 may be a putative therapeutic direction for reducing microglia activation in CNS injury and neurodegenerative diseases. © 2012 Wiley Periodicals, Inc.