bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Stereoselective ZrCl4‐Catalyzed Mannich‐Type Reaction of β‐Keto Esters with Chiral Trifluoromethyl Aldimines.
Authors: Parise Luca , Pellacani Lucio , Sciubba Fabio , Trulli Laura , Fioravanti Stefania
Published: December 2015

The reaction of acyclic and cyclic β‐keto esters, substituted at the methylene group, with N‐protected trifluoromethyl aldimines is investigated under conditions A).
ChemInform Abstract: Synthesis of 2‐Aryl‐1,3‐cyclopentanediones Through Catalytic Borylation as a Key Step.
Authors: Palau‐Lluch Gerard , Fernandez Elena
Published: December 2015

Sequential Suzuki‐type coupling between α‐iodocyclopentenone (I) and arylboronic acids followed by borylation and oxidative workup furnishes the title compounds in a one‐pot manner in moderate yields.
ChemInform Abstract: Synthesis of N‐Sulfonylamidated and Amidated Azobenzenes under Rhodium Catalysis.
Authors: Han Sangil , Mishra Neeraj Kumar , Sharma Satyasheel , Park Jihye , Choi Miji , Lee Seok‐Yong , Oh Joa Sub , Jung Young Hoon , Kim In Su
Published: December 2015

A rhodium(III)‐catalyzed direct C—H N‐sulfonyl amidation of azobenzenes with arylsulfonyl isocyanates is developed.
ChemInform Abstract: Transnitrilation from Dimethylmalononitrile to Aryl Grignard and Lithium Reagents: A Practical Method for Aryl Nitrile Synthesis.
Authors: Reeves Jonathan T. , Malapit Christian A. , Buono Frederic G. , Sidhu Kanwar P. , Marsini Maurice A. , Sader C. Avery , Fandrick Keith R. , Busacca Carl A. , Senanayake Chris H.
Published: December 2015

The reaction of commercially available or in situ generated Grignard reagents with dimethylmalononitrile (II) affords desired aryl nitriles (III), (V), and (VII) in good to high yields.
ChemInform Abstract: FeCl3‐Catalyzed Intramolecular Michael Reaction of Styrenes for the Synthesis of Highly Substituted Indenes.
Authors: Dethe Dattatraya H. , Murhade Ganesh M. , Ghosh Sourav
Published: December 2015

The title reaction is also applied to the synthesis of the sesquiterpene natural products (.+‐.)‐jungianol (IX) and 1‐epi‐jungianol (X).
ChemInform Abstract: A Versatile and Efficient Synthesis of Bithiophene‐Based Dicarboxaldehydes from a Common Synthon.
Authors: Bhuwalka Achala , Mike Jared F. , Intemann Jeremy J. , Ellern Arkady , Jeffries‐EL Malika
Published: December 2015

Dibromide (I) is used as a convenient common synthon for the preparation of the title dicarboxaldehydes (IV), (VII), (X), and (XV), which represent promising electron‐rich building blocks for the development of arylenevinylene‐based organic semiconductors.
ChemInform Abstract: Thiourea‐Catalyzed Addition of Indoles to Aliphatic β,γ‐Unsaturated α‐Ketoesters.
Authors: Juste‐Navarro Veronica , Marques‐Lopez Eugenia , Herrera Raquel P.
Published: December 2015

The title reaction gives the Michael adducts regioselectively at C3 in good yields with modest to good enantioselectivities.
ChemInform Abstract: Copper‐Mediated Synthesis of N‐Alkenyl‐α,β‐unsaturated Nitrones and Their Conversion to Tri‐ and Tetrasubstituted Pyridines.
Authors: Kontokosta Dimitra , Mueller Daniel S. , Mo Dong‐Liang , Pace Wiktoria H. , Simpson Rachel A. , Anderson Laura L.
Published: December 2015

Derivatives (III) are prepared by means of Chan‐Lam reaction.
ChemInform Abstract: Multicomponent Strategy to Pyrazolo[3,4‐e]indolizine Derivatives under Microwave Irradiation.
Authors: Wang Jian‐Jun , Feng Xian , Xun Zhan , Shi Da‐Qing , Huang Zhi‐Bin
Published: December 2015

Microwave‐promoted diethylamine‐catalyzed three‐component reaction of arylglyoxals, 5‐aminopyrazoles, and cyclic 1,3‐diones offers a direct synthesis of the title compounds (IV) and (VI) in moderate yields.
ChemInform Abstract: Pd‐Catalyzed Ag(I)‐Promoted C3‐Arylation of Pyrido[1,2‐a]pyrimidin‐4‐ones with Bromo/Iodo‐Arenes.
Authors: Guchhait Sankar K. , Priyadarshani Garima
Published: December 2015

A direct regioselective C3‐H arylation of pyrido[1,2‐a]pyrimidin‐4‐ones using Pd(OAc)2 as the catalyst in the presence of Ag2CO3 as promotor is developed.
ChemInform Abstract: Iodine‐Catalyzed Facile Synthesis of Pyrrolo‐ and Indolo[1,2‐a]quinoxalines.
Authors: Wang Chao , Li Yun , Guo Rui , Tian Jingjing , Tao Cheng , Cheng Bin , Wang Hongyu , Zhang Jun , Zhai Hongbin
Published: December 2015

2‐Pyrrolyl‐ and 2‐indolylanilines react with benzylamines under environmentally friendly oxidative conditions to give the title compounds in high yields.
ChemInform Abstract: Synthesis of 1,5‐Dioxocanes via the Two‐Fold C—O Bond Forming Nucleophilic [4 + 4]‐Cyclodimerization of Cycloprop‐2‐en‐1‐ylmethanols.
Authors: Edwards Andrew , Bennin Trevor , Rubina Marina , Rubin Michael
Published: December 2015

An unusual 2,7‐dioxatricyclo[7.1.0.04,6] decane score is obtained via simultaneous formation of two ethereal C—O bonds.
ChemInform Abstract: Elusive 2H‐1,2‐Oxasiletes Through Reactions of an Isolable Dialkylsilylene with Diazocarbonyl Compounds.
Authors: Dong Zhaowen , Xiao Xu‐Qiong , Li Zhifang , Lu Qiong , Lai Guoqiao , Kira Mitsuo
Published: December 2015

Novel 2H‐1,2‐oxasiletes (III) are obtained in high yields by reaction of diazocarbonyl compounds (I) with dialkylsilylene (II), whilst diazoketone (IV) leads to spirocyclic adduct (V) without releasing dinitrogen.
ChemInform Abstract: Chloroform‐Based Atherton—Todd‐Type Reactions of Alcohols and Thiols with Secondary Phosphine Oxides Generating Phosphinothioates and Phosphinates.
Authors: Li Shan , Chen Tieqiao , Saga Yuta , Han Li‐Biao
Published: December 2015

Chloroform replaces the highly toxic CCl4 as halogenating reagent and solvent in Atherton—Todd‐type reactions of alcohols and thiols with secondary phosphine oxides.
ChemInform Abstract: Synthesis of a New Class of Iminosugars Based on Constrained Azaspirocyclic Scaffolds by Way of Catalytic C—H Amination.
Authors: Nocquet Pierre‐Antoine , Hensienne Raphael , Wencel‐Delord Joanna , Wimmer Eric , Hazelard Damien , Compain Philippe
Published: December 2015

Iminosugars (VI) and (VII) are synthesized from substrate (I) via Rh‐catalyzed intramolecular amination followed by N‐allylation, metathesis reaction, and either hydrogenation/deprotection or dihydroxylation/deprotection sequences.
ChemInform Abstract: Regioselective and 1,2‐cis‐α‐Stereoselective Glycosylation Utilizing Glycosyl‐Acceptor‐Derived Boronic Ester Catalyst.
Authors: Nakagawa Akira , Tanaka Masamichi , Hanamura Shun , Takahashi Daisuke , Toshima Kazunobu
Published: December 2015

Various 1α,2α‐anhydro glycosyl donors such as (I) react with diol glycosyl acceptors in the presence of a boron catalyst, derived in situ from the acceptor component and the boronic acid in the reaction medium.
ChemInform Abstract: Three New Alkaloids from Hippophae rhamnoides Linn. subsp. sinensis Rousi.
Authors: OuYang Jian , Zhou Wen‐Na , Li Gang , Wang Xiao‐Yan , Ding Chen‐Xu , Suo You‐Rui , Wang Hong‐Lun
Published: December 2015

The new organic amide alkaloids (I) and (II) are isolated along with a rare pyridoindole alkaloid, hippophamide (III), from the seed residue of Hippophae rhamnoides Linn.
ChemInform Abstract: Pericoannosin A, a Polyketide Synthase—Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.
Authors: Zhang Dewu , Tao Xiaoyu , Chen Ridao , Liu Jimei , Li Li , Fang Xiaomei , Yu Liyan , Dai Jungui
Published: December 2015

Four new compounds, pericoannosin A (I) having an unusual carbon skeleton and periconiasins D‐F (II), (III), and (IV) are isolated.
ChemInform Abstract: Water‐Induced Reversible SCSC or Solid‐State Structural Transformation in Coordination Polymers
Authors: Ke Szu‐Yu , Wang Chih‐Chieh
Published: December 2015

Review: 58 refs.
ChemInform Abstract: Solid‐Liquid Semifluidization
Authors: Deepika J. , Gengadevi R. , Saravanan K.
Published: December 2015

Review: 44 refs.
ChemInform Abstract: Clean Solid Biofuel Production from High Moisture Content Waste Biomass Employing Hydrothermal Treatment
Authors: Zhao Peitao , Shen Yafei , Ge Shifu , Chen Zhenqian , Yoshikawa Kunio
Published: December 2015

Review: 268 refs.
ChemInform Abstract: Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence
Authors: Hillisch Alexander , Heinrich Nikolaus , Wild Hanno
Published: December 2015

Review: 19 refs.
Was ist Licht?
Authors: Wöhrle Dieter
Published: December 2015

2015 begehen die Vereinten Nationen das “Internationale Jahr des Lichts und der lichtbasierten Technologien”. Licht basiert auf Photonen. In diesem ersten Teil wird der gegenwärtige Kenntnisstand über Photonen, die Energiequanten der elektromagnetischen Strahlung sind und sowohl Wellen‐ als auch Teilchencharakter aufweisen, aufgearbeitet. Der Weg der Photonen von der Sonne als natürliche Strahlungsquelle bis zur Erdoberfläche wird behandelt. Aber auch künstliche Strahlungsquellen, die für unsere visuelle Wahrnehmung wichtig sind, liefern Photonen wie z.B. die ineffiziente Glühlampe und die Energie‐einsparende anorganische und organische Leuchtdiode. Laser als künstliche Strahlungsquelle mit technischer Bedeutung werden auch angesprochen. Der Teil 2 wird sich schwerpunktmäßig mit Anwendungen in der Photokatalyse, der Photochemie und den anorganischen und organischen photovoltaischen Solarzellen befassen.
The reliability of parameters obtained by fitting of 1H NMRD profiles and 17O NMR data of potential Gd3+‐based MRI contrast agents
Authors: Peters Joop A.
Published: December 2015

Synthetic variable temperature 1H NMRD profiles and 17O NMR relaxation and shift data were generated with a model based on the Solomon–Bloembergen–Morgan and Freed theories and then fitted simultaneously or individually. The effects of the fitting procedure and of experimental uncertainties on the resulting best‐fit parameters were investigated. The most reliable best‐fit parameters were obtained when all data were included in a simultaneous fitting procedure. Fitting of only NMRD and/or 17O NMR data provided considerably less accurate best‐fit parameters. Very large deviations from the values of the parameters used for the construction of the datasets were obtained due to the combined effects of uncertainties resulting from the fitting and from the data. For these fittings, the accuracy of the best‐fit parameters appeared to be strongly dependent on the magnitude of synthetic parameters applied. For example, the accuracy of τMC was low around τMS = 10−8 s. The parameters τV and Δ2 are strongly correlated in fittings of only 17O NMR data. Consequently, only the ratio of these parameters can be evaluated in this way. The observations underline the need to reduce the number of adjustable parameters by constraining as many as possible of them at values obtained by independent techniques. The inaccuracies observed in these simulations come in addition to those caused by the inadequacy of the Solomon–Bloembergen–Morgan theory, particularly at low magnetic field strengths. Copyright © 2015 John Wiley & Sons, Ltd.
Characterizing magnetic resonance signal decay due to gaussian diffusion: The path integral approach and a convenient computational method
Authors: Özarslan Evren , Westin Carl‐Fredrik , Mareci Thomas H.
Published: December 2015

The influence of Gaussian diffusion on the magnetic resonance signal is determined by the apparent diffusion coefficient (ADC) and tensor (ADT) of the diffusing fluid as well as the gradient waveform applied to sensitize the signal to diffusion. Estimations of ADC and ADT from diffusion‐weighted acquisitions necessitate computations of, respectively, the b‐value and b‐matrix associated with the employed pulse sequence. We establish the relationship between these quantities and the gradient waveform by expressing the problem as a path integral and explicitly evaluating it. Further, we show that these important quantities can be conveniently computed for any gradient waveform using a simple algorithm that requires a few lines of code. With this representation, our technique complements the multiple correlation function method commonly used to compute the effects of restricted diffusion, and provides a consistent and convenient framework for studies that aim to infer the microstructural features of the specimen. © 2015 Wiley Periodicals, Inc. Concepts Magn Reson Part A 44A: 203–213, 2015.
Defective Single‐Walled Aluminosilicate Nanotubes: Structural Stability and Mechanical Properties
Authors: Liou Kai‐Hsin , Kang Dun‐Yen
Published: December 2015

Single‐walled aluminosilicate nanotubes (AlSiNTs) are expected to possess mechanical strength comparable to that of single‐walled carbon nanotubes (SWCNTs). Most existing theoretical studies on the mechanical properties of AlSiNTs are based on defect‐free models, despite the fact that experimental results have revealed a variety of defects in AlSiNTs. Herein we developed a method for the modeling of defective AlSiNTs to enable the quantitative investigation of relationships among defect structures, structural stability, and mechanical properties of AlSiNTs. The defect structures dealt with in the proposed models are based on experimental findings. Our assessment of the stability and mechanical strength of nanotubes is based on multiscale computational tools, including density functional theory, molecular modeling, and nanoscale continuum modeling. Our study also identified the defect structure with the most pronounced impact on the stability and mechanical properties of AlSiNTs.
Transparency and Reproducibility of Observational Cohort Studies Using Large Healthcare Databases.
Authors: Wang SV , Verpillat P , Rassen JA , Patrick A , Garry EM , Bartels DB
Published: December 2015

The scientific community and decision‐makers are increasingly concerned about transparency and reproducibility of epidemiologic studies using longitudinal healthcare databases. We explored the extent to which published pharmacoepidemiologic studies using commercially available databases could be reproduced by other investigators. We identified a nonsystematic sample of 38 descriptive or comparative safety/effectiveness cohort studies. Seven studies were excluded from reproduction, five because of violation of fundamental design principles, and two because of grossly inadequate reporting. In the remaining studies, >1,000 patient characteristics and measures of association were reproduced with a high degree of accuracy (median differences between original and reproduction <2% and <0.1). An essential component of transparent and reproducible research with healthcare databases is more complete reporting of study implementation. Once reproducibility is achieved, the conversation can be elevated to assess whether suboptimal design choices led to avoidable bias and whether findings are replicable in other data sources.
On Fedorov's parallelohedra – a review and new results
Authors: Engel P.
Published: December 2015

After a short introduction to the topic of Fedorov's parallelohedra, the fundamentals of this topic are reviewed in sections and . The cone of positive‐definite quadratic forms is described in section where also new results on its shape are given. In the following sections aggregates of parallelohedra having certain properties are investigated and their connected domains in the cone of quadratic forms are determined. Results on combinatorial types of parallelohedra and their refined classification into contraction and similarity types are summarized in section . New results on Σ‐ and Ω‐domains are discussed in sections and , respectively.
Research Progress on the Indirect Hydrogenation of Carbon Dioxide to Methanol
Authors: Du Xian‐Long , Jiang Zheng , Su Dang Sheng , Wang Jian‐Qiang
Published: December 2015

Methanol is a sustainable source of liquid fuels and one of the most useful organic chemicals. To date, most of the work in this area has focused on the direct hydrogenation of CO2 to methanol. However, this process requires high operating temperatures (200–250 °C), which limits the theoretical yield of methanol. Thus, it is desirable to find a new strategy for the efficient conversion of CO2 to methanol at relatively low reaction temperatures. This Minireview seeks to outline the recent advances on the indirect hydrogenation of CO2 to methanol. Much emphasis is placed on discussing specific systems, including hydrogenation of CO2 derivatives (organic carbonates, carbamates, formates, cyclic carbonates, etc.) and cascade reactions, with the aim of critically highlighting both the achievements and remaining challenges associated with this field.
Detection of testosterone esters in blood
Authors: Forsdahl Guro , Erceg Damir , Geisendorfer Thomas , Turkalj Mirjana , Plavec Davor , Thevis Mario , Tretzel Laura , Gmeiner Günter
Published: December 2015

Injections of synthetic esters of testosterone are among the most common forms of testosterone application. In doping control, the detection of an intact ester of testosterone in blood gives unequivocal proof of the administration of exogenous testosterone. The aim of the current project was to investigate the detection window for injected testosterone esters as a mixed substance preparation and as a single substance preparation in serum and plasma. Furthermore, the suitability of different types of blood collection devices was evaluated. Collection tubes with stabilizing additives, as well as non‐stabilized serum separation tubes, were tested. A clinical study with six participants was carried out, comprising a single intramuscular injection of either 1000 mg testosterone undecanoate (Nebido®) or a mixture of 30 mg testosterone propionate, 60 mg testosterone phenylpropionate, 60 mg testosterone isocaproate, and 100 mg testosterone decanoate (Sustanon®). Blood was collected throughout a testing period of 60 days. The applied analytical method for blood analysis included liquid‐liquid extraction and preparation of oxime derivatives, prior to TLX‐sample clean‐up and liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) detection. All investigated testosterone esters could be detected in post‐administration blood samples. The detection time depended on the type of ester administered. Furthermore, results from the study show that measured blood concentrations of especially short‐chained testosterone esters are influenced by the type of blood collection device applied. The testosterone ester detection window, however, was comparable. Copyright © 2015 John Wiley & Sons, Ltd.
The appropriate dose of angiotensin‐converting‐enzyme inhibitors or angiotensin receptor blockers in patients with dilated cardiomyopathy. The higher, the better?
Authors: Ishida Junichi , Konishi Masaaki , von Haehling Stephan
Published: December 2015

Heart failure is a major public issue, and dilated cardiomyopathy (DCM) is one of the common etiologies of heart failure. DCM is generally progressive, and some patients with DCM need heart transplant despite optimal medical and mechanical therapy. Current guidelines recommend inhibitors of renin–angiotensin–aldosterone system, namely angiotensin‐converting‐enzyme (ACE) inhibitor, angiotensin receptor blocker (ARB), and mineralocorticoid receptor antagonist as well as beta‐blockers for the medical treatment of heart failure with reduced ejection fraction, including DCM. Furthermore, because they have beneficial effects on the outcome of heart failure in a dose‐related fashion, they should be titrated to the target dose. In clinical practice, the underuse and under‐dose of these agents matter; however, the efficacy and safety of supramaximal dose of ACE inhibitor or ARB have never been investigated in the patients with DCM. In this issue of ESC Heart Failure, it is demonstrated that benazepril or valsartan at supramaximal dose improved left ventricular function and reduced cardiovascular events compared with each drug at low dose, respectively. In this editorial, the current evidence concerning the use of ACE inhibitor or ARB in patients with HF and future prospective will be discussed.
EPR as a Tool for Study of Isolated and Coupled Paramagnetic Centers in Coordination Compounds and Macromolecules of Biological Interest
Authors: Rizzi Alberto C. , Neuman Nicolás I. , González Pablo J. , Brondino Carlos D.
Published: December 2015

Continuous Wave Electron Paramagnetic Resonance (CW EPR) is an essential spectroscopic tool for study of systems containing unpaired electrons. The potential capability of the technique has extended its use beyond being solely by experts, and today it is widely used by non‐specialists. In this microreview we present selected examples together with basic theoretical aspects necessary for understanding of the EPR properties of isolated paramagnetic centers and assemblies of them that may be coupled by very weak isotropic exchange interactions (<0.1 cm–1) when linked by diamagnetic extended chemical pathways. The goal of the paper is to show in a unified way the information that CW EPR can provide for understanding of the electronic structures and magnetic properties of distinct types of paramagnetic transition‐metal‐ion‐containing systems of biological relevance, such as low‐molecular‐weight inorganic complexes and metalloproteins.
Self‐Assembly of Triphenylboroxine and the Phenylboronic Ester of Pentaerythritol with Piperazine, trans‐1,4‐Diaminocyclohexane, and 4‐Aminopyridine
Authors: Cruz‐Huerta Jorge , Campillo‐Alvarado Gonzalo , Höpfl Herbert , Rodríguez‐Cuamatzi Patricia , Reyes‐Márquez Viviana , Guerrero‐Álvarez Jorge , Salazar‐Mendoza Domingo , Farfán‐García Norberto
Published: December 2015

The dinuclear phenylboronic ester derived from pentaerythritol and trinuclear triphenylboroxine were combined with three diamine tectons, that is, 1,4‐diazacyclohexane (pz), trans‐1,4‐diaminocyclohexane (1,4‐chda), and 4‐aminopyridine (4‐apy), to generate supramolecular N→B bound assemblies and to enhance the knowledge concerning the factors governing the formation of such aggregates. From these reactions, three novel complexes of composition {(PhBO)3(pz)}n·nDMF (2), {[(PhBO)3]2(1,4‐chda)}·1,4‐chda (3), and {[(PhBO2)2(C5H8)][4‐apy]2}·CHCl3·1.25H2O (4) were achieved and characterized by elemental analysis, IR and NMR spectroscopy, and single‐crystal X‐ray diffraction analysis. Structural characterization in the solid state revealed that all three products exhibit N→B bonds but have different compositions concerning the B and N tectons to give a 1:1 adduct for 2, a 2:1 adduct for 3, and a 1:2 adduct for 4. In the solid state, compound 2 comprises a 1D coordination polymer, whereas compounds 3 and 4 have discrete molecular structures. Owing to the presence of N–H hydrogen‐bonding sites, in all cases overall 2D or 3D hydrogen‐bonding networks are formed. In solution, the N→B aggregates are mostly dissociated at room temperature, as shown by 11B NMR spectroscopy.
Towards Isocoumarin‐Fused Enediyne Systems through the Electrophilic Cyclization of Methyl o‐(Buta‐1,3‐diynyl)benzoates
Authors: Danilkina Natalia A. , Gurskaya Larisa Y. , Vasilyev Aleksander V. , Balova Irina A.
Published: December 2015

The synthesis of enediynes fused to an isocoumarin core was achieved through the electrophilic cyclization of o‐(buta‐1,3‐diynyl)benzoates as a key step, followed by the Sonogashira coupling of the resulting 3‐ethynyl‐4‐iodoisocoumarins with acetylenes. This approach allowed different substituents to be introduced to both ethynyl moieties with complete regiocontrol. The ability of the isocoumarin‐fused enediynes to undergo Bergman cyclization was studied by differential scanning calorimetry.
Fine‐Tuning the Balance between Peptide Thioester Cyclization and Racemization
Authors: Popovic Stanimir , Wijsman Linda , Landman Iris R. , Sangster Maaike F. , Pastoors Dorien , Veldhorst Berend B. , Hiemstra Henk , van Maarseveen Jan H.
Published: December 2015

Ring‐closure towards seven‐membered bislactams containing an α‐amino acid and β‐alanine is problematic. Such difficult lactamizations are accompanied by side‐reactions such as hydrolysis, oligomerization and racemization. By starting from linear peptide 4‐methoxythiophenol esters, dilution to 1 mM in combination with phosphate buffer (pH 6.8) intermolecular reactions and racemization could be largely suppressed. Thioesters with the chiral residue at the C‐terminus gave the bislactams in yields up to 60 % and enantiomeric excess up to 99 %. Enantiopure bislactams were obtained exclusively from the reversed sequence bearing β‐alanine at the C‐terminus.
Determination of some β‐Blockers by Electrochemical Detection on Polycrstalline Gold Electrode after Solid Phase Extraction (SPE)
Authors: Casella Innocenzo G. , Bonito Rosa , Contursi Michela
Published: December 2015

The electroanalytical characterization and determination of three selected β‐blocker agents, namely propranolol, atenolol and nadolol using cyclic voltammetry and differential pulse voltammetry (DPV) in phosphate buffer solution (pH 2.5) plus 22 % acetonitrile (ACN), was described. The analytes were characterized through their electrooxidation processes on polycrystalline gold electrodes. The analytical determination of the selected molecules was performed using the differential pulse voltammetry (DPV) at pH 2.5. Under DPV conditions, the detection limits (LODs) ranged between 5 μM and 20 μM for propranolol and atenolol, respectively. For all investigated molecules, two well‐defined ranges of linearity Ip vs analyte concentration have been identified which correspond to specific calibration parameters. Calibration graphs (Ip vs concentration) considered in the first interval of linearity, shown correlation coefficients >0.99. A solid phase extraction (SPE) procedure using a polymeric mixed‐mode cationic sorbent (Strata‐X‐C), was studied and optimized. The proposed DPV‐SPE method was successfully applied for the determination of propranolol in several pharmaceutical formulations and urine sample, with results in close agreement with those obtained using traditional liquid chromatography technique coupled with spectrophotometric detection.
Prostate Cancer Biomarker Detection with Carbon Nanotubes Modified Screen Printed Electrodes
Authors: Nur Topkaya Seda , Ozkan‐Ariksoysal Dilsat
Published: December 2015

DNA hypermethylation is an epigenetic alteration and a promising biomarker for early prostate cancer detection. Simple, sensitive, easy to handle and rapid detection methodologies are imperative for point of care diagnostics especially for cancer. Herein, we describe for the first time a regenerable and compatible electrochemical biosensor for detection of Glutathione S‐Transferase P‐1 (GSTP‐1) gene hypermethylation related to prostate cancer via DNA hybridization onto the disposable Carbon and Multi Walled Carbon Nanotubes (MWCNT) Screen Printed Electrodes (SPEs). In the study, capture probes were adsorbed onto the SPEs by simple passive adsorption and then hybridization was achieved by sending the complementary target onto the probe‐modified electrodes. The selectivity of the biosensor was proved by control studies. Differential Pulse Voltammetry (DPV) technique was used to detect hybridization via guanine oxidation signals changes. The total time of the optimized method was nearly 1h, measurements took for less than 1 min, and the biosensor response was stable up to 40 days of storage period at 4 °C. The main advantages of the biosensor are very low detection limit (picomolar range) and capability of reusing the biosensor for at least 3 times after very simple regeneration process that is a unique property to reduce the cost of the assay. In addition, this is the first study that demonstrates the detection of GSTP‐1 hypermethylation electrochemically by using SPEs in order to create point of care diagnostics. The optimum parameters for the biosensor, as well as its future prospects to enhance the performance of DNA biosensors were also presented.
The role of coal seam properties on coupled processes during CO2sequestration: A parametric study
Authors: Masoudian Mohsen S. , Airey David W. , El‐Zein Abbas
Published: December 2015

It has been proposed that a considerable amount of CO2can be safely sequestered from the atmosphere in geological formations such as coalbeds. In spite of promising evidence of the economic and technical viability of CO2sequestration in coal seams, many of its hydro‐geomechanical aspects are not fully understood. This paper presents a coupled hydro‐mechanical model that is used to assess the reservoir performance of a coalbed and the induced surface and subsurface deformations. A series of numerical simulations has been performed to study the effects of different parameters on the reservoir and geomechanical behaviors associated with CO2injection. A single‐phase dual‐porosity model is coupled to a one‐dimensional poroelastic model and an analytical model for the ground surface movements. Through these simulations, the role of three sets of parameters at different scales is investigated: fracture characteristics, matrix characteristics, and geomechanical/geometrical characteristics. The comparative impacts of these parameters on reservoir permeability, volume of the stored CO2, and deformations of the coalbed and the ground surface, are quantitatively assessed, in order to identify the most important parameters influencing the hydro‐mechanical response of the ground.
Early detection of Alzheimer's disease using MRI hippocampal texture
Authors: Sørensen Lauge , Igel Christian , Liv Hansen Naja , Osler Merete , Lauritzen Martin , Rostrup Egill , Nielsen Mads ,   for the Alzheimer's Disease Neuroimaging Initiative and the Australian Imaging Biomarkers and Lifestyle Flagship Study of Ageing
Published: December 2015

Cognitive impairment in patients with Alzheimer's disease (AD) is associated with reduction in hippocampal volume in magnetic resonance imaging (MRI). However, it is unknown whether hippocampal texture changes in persons with mild cognitive impairment (MCI) that does not have a change in hippocampal volume. We tested the hypothesis that hippocampal texture has association to early cognitive loss beyond that of volumetric changes. The texture marker was trained and evaluated using T1‐weighted MRI scans from the Alzheimer's Disease Neuroimaging Initiative (ADNI) database, and subsequently applied to score independent data sets from the Australian Imaging, Biomarker & Lifestyle Flagship Study of Ageing (AIBL) and the Metropolit 1953 Danish Male Birth Cohort (Metropolit). Hippocampal texture was superior to volume reduction as predictor of MCI‐to‐AD conversion in ADNI (area under the receiver operating characteristic curve [AUC] 0.74 vs 0.67; DeLong test, p = 0.005), and provided even better prognostic results in AIBL (AUC 0.83). Hippocampal texture, but not volume, correlated with Addenbrooke's cognitive examination score (Pearson correlation, r = −0.25, p < 0.001) in the Metropolit cohort. The hippocampal texture marker correlated with hippocampal glucose metabolism as indicated by fluorodeoxyglucose‐positron emission tomography (Pearson correlation, r = −0.57, p < 0.001). Texture statistics remained significant after adjustment for volume in all cases, and the combination of texture and volume did not improve diagnostic or prognostic AUCs significantly. Our study highlights the presence of hippocampal texture abnormalities in MCI, and the possibility that texture may serve as a prognostic neuroimaging biomarker of early cognitive impairment. Hum Brain Mapp 37:1148–1161, 2016. © 2015 Wiley Periodicals, Inc.
Improving the rate of negative margins after surgery for oral cavity squamous cell carcinoma: A prospective randomized controlled study
Authors: Amit Moran , Na'ara Shorook , Leider‐Trejo Leonor , Akrish Sharon , Cohen Jacob T. , Billan Salem , Gil Ziv
Published: December 2015

Background

A positive margin is among the most significant factors that affects the outcome in head and neck squamous cell carcinoma (SCC). The purpose of this study was to compare the negative margin rates between 2 methods of intraoperative margin assessment in patients with oral cavity SCC.

Methods

A prospective, randomized controlled trial comparing 2 methods of intraoperative margin assessment: specimen‐driven margins and patient‐driven margins.

Results

The final analysis included 71 patients, 20 (29%) in the patient‐driven margin arm. Frozen section analysis revealed positive/close surgical margins that led to an extension of the surgical resection in 22 of 51 patients (43%) in the specimen‐driven margin arm, and 2 of 20 patients (10%) in the patient‐driven margin arm (p = .01). After final pathological analysis, the wide negative margin rate was 84% in the specimen‐driven margin arm, compared to 55% in the patient‐driven margin arm (p = .02). Extension of the surgical resection prevented escalation of adjuvant treatment in 19 patients (38%) in the specimen‐driven margin arm and 10% in the patient‐driven margin arm.

Conclusion

Specimen derived margin assessment led to significant improvement in the rate of negative margins. © 2015 Wiley Periodicals, Inc. Head Neck 38: E1803–E1809, 2016
Salicylic acid‐based poly(anhydride‐ester) nerve guidance conduits: Impact of localized drug release on nerve regeneration
Authors: Lee Yong S. , Griffin Jeremy , Masand Shirley N. , Shreiber David I. , Uhrich Kathryn E.
Published: December 2015

Nerve guidance conduits (NGCs) can serve as physical scaffolds aligning and supporting regenerating cells while preventing scar tissue formation that often interferes with the regeneration process. Numerous studies have focused on functionalizing NGCs with neurotrophic factors, for example, to support nerve regeneration over longer gaps, but few directly incorporate therapeutic agents. Herein, we fabricated NGCs from a polyanhydride comprised of salicylic acid (SA), a nonsteroidal anti‐inflammatory drug, then performed in vitro and in vivo assays. In vitro studies included cytotoxicity, anti‐inflammatory response, and NGC porosity measurements. To prepare for implantation, type I collagen hydrogels were used as NGC luminal fillers to further enhance the axonal regeneration process. For the in vivo studies, SA‐NGCs were implanted in femoral nerves of mice for 16 weeks and evaluated for functional recovery. The SA‐based NGCs functioned as both a drug delivery vehicle capable of reducing inflammation and scar tissue formation because of SA release as well as a tissue scaffold that promotes peripheral nerve regeneration and functional recovery. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 975–982, 2016.
Safety of intradiscal injection and biocompatibility of polyester amide microspheres in a canine model predisposed to intervertebral disc degeneration
Authors: Willems Nicole , Mihov George , Grinwis Guy C.M. , van Dijk Maarten , Schumann Detlef , Bos Clemens , Strijkers Gustav J. , Dhert Wouter J.A. , Meij Björn P. , Creemers Laura B. , Tryfonidou Marianna A.
Published: December 2015

Repair of degenerated intervertebral discs (IVD) might be established via intradiscal delivery of biologic therapies. Polyester amide polymers (PEA) were evaluated for in vitro cytotoxicity and in vivo biocompatibility, and thereafter intradiscal application of PEA microspheres (PEAMs) in a canine model predisposed to IVD degeneration at long‐term (6 months) follow‐up. PEA extracts did not induce cytotoxicity in mouse fibroblast cells (microscopy and XTT assay), while a slight foreign body reaction was demonstrated by histopathology after intramuscular implantation in rabbits. Intradiscal injection of a volume of 40 µL through 26 and 27G needles induced no degenerative changes in acanine model susceptible to IVD disease. Although sham‐injected IVDs showed increased CAV1 expression compared with noninjected IVDs, which may indicate increased cell senescence, these findings were not supported by immunohistochemistry, biomolecular analysis of genes related to apoptosis, biochemical and histopathological results. PEAM‐injected IVDs showed significantly higher BAX/BCL2 ratio vs sham‐injected IVDs suggestive of an anti‐apoptotic effect of the PEAMs. These findings were not supported by other analyses (clinical signs, disc height index, T2 values, biomolecular and biochemical analyses, and IVD histopathology). PEAs showed a good cytocompatibility and biocompatibility. PEAMs are considered safe sustained release systems for intradiscal delivery of biological treatments. © 2015 The Authors. Journal of Biomedical Materials Research Part B: Applied Biomaterials published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 707–714, 2017.
Photo and Thermo‐luminescence Properties of Mn4+, Ce4+ and Sm3+ in MgAl2Si2O8 Phosphor
Authors: Öztürk Esra , Kalaycioglu Nilgun Ozpozan , Uzun Erdem
Published: December 2015

Mn4+, Ce4+ and Sm3+ doped MgAl2Si2O8‐based phosphors were synthesized at 1300 °C by solid state reaction and characterized by thermogravimetry (TG), differential thermal analysis (DTA), X‐ray powder diffraction (XRD), photoluminescence (PL), thermoluminescence (TL) and scanning electron microscopy (SEM). The phosphors showed broad red emission bands in the range of 610–715 nm and different maximum intensity when activated by UV illumination. Such a red emission can be attributed to the intrinsic 2E→4A2 transitions of Mn4+.
Efficient Synthesis of 3,3‐diaryloxindoles Catalyzed by L‐prolinate Anion Immobilized onto Amberlite as a Novel Heterogeneous Organocatalyst
Authors: Keshavarz Mosadegh , Iravani Nasir , Ahmady Amanollah Zarei , Vafaei‐Nezhad Masoumeh
Published: December 2015

L‐prolinate anion immobilized onto amberlite IRA900OH ([Amb]L‐Prolinate) is reported as a new, reusable and cheap organocatalyst for the condensation of indoles with isatins to afford the corresponding 3,3′‐diaryloxindol derivatives in ethanol under reflux condition. [Amb]L‐Prolinate was achieved by the treatment of a MeOH/H2O solution of L‐proline with amberlite IRA900OH at 60 °C. The procedure for heterogenization of L‐proline organocatalyst is based on non‐covalent ion‐pair immobilization of L‐proline on the surface of anion‐exchange resin amberlite IRA900OH (AmbIRA900OH) as a commercially accessible cationic polymer support. The prepared heterogeneous organocatalyst was well characterized by using of FTIR, TGA, DTG, XRD and elemental analysis techniques. The catalytic activity of the catalyst was also examined in the reaction of indole and isatin. The catalyst has been recovered and its reusability confirmed in 8 runs
Nano‐TiO2 as an Efficient Catalyst for Tandem Knoevenagel–Michael‐Cyclocondensation Reaction of Dimedone with Aromatic Aldehydes and Ammonium Acetate or Aromatic Amines under Solvent‐free Conditions
Authors: Khazaei Ardeshir , Moosavi‐Zare Ahmad Reza , Mohammadi Zahra , Khakyzadeh Vahid , Afsar Javad
Published: December 2015

TiO2 nanoparticles in anatase and rutile forms was characterized and studied by several techniques including X‐ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscopy (TEM) and successfully applied as an efficient and heterogeneous catalyst in the synthesis of 1,8‐dioxo‐decahydroacridines via the one‐pot multi‐component condensation reaction of dimedone with aromatic aldehydes and ammonium acetate or aromatic amines under mild and solvent‐free conditions.
Longitudinal magnetic resonance imaging study shows progressive pyramidal and callosal damage in Friedreich's ataxia
Authors: Rezende Thiago J.R. , Silva Cynthia B. , Yassuda Clarissa L. , Campos Brunno M. , D'Abreu Anelyssa , Cendes Fernando , Lopes‐Cendes Iscia , França Marcondes C.
Published: December 2015

Introduction

Spinal cord and peripheral nerves are classically known to be damaged in Friedreich's ataxia, but the extent of cerebral involvement in the disease and its progression over time are not yet characterized. The aim of this study was to evaluate longitudinally cerebral damage in Friedreich's ataxia

Methods

We enrolled 31 patients and 40 controls, which were evaluated at baseline and after 1 and 2 years. To assess gray matter, we employed voxel‐based morphometry and cortical thickness measurements. White matter was evaluated using diffusion tensor imaging. Statistical analyses were both cross‐sectional and longitudinal (corrected for multiple comparisons).

Results

Group comparison between patients and controls revealed widespread macrostructural differences at baseline: gray matter atrophy in the dentate nuclei, brainstem, and precentral gyri; and white matter atrophy in the cerebellum and superior cerebellar peduncles, brainstem, and periventricular areas. We did not identify any longitudinal volumetric change over time. There were extensive microstructural alterations, including superior cerebellar peduncles, corpus callosum, and pyramidal tracts. Longitudinal analyses identified progressive microstructural abnormalities at the corpus callosum, pyramidal tracts, and superior cerebellar peduncles after 1 year of follow‐up.

Conclusion

Patients with Friedreich's ataxia present more widespread gray and white matter damage than previously reported, including not only infratentorial areas, but also supratentorial structures. Furthermore, patients with Friedreich's ataxia have progressive microstructural abnormalities amenable to detection in a short‐term follow‐up. © 2015 International Parkinson and Movement Disorder Society
The clinical phenotype of early‐onset isolated dystonia caused by recessive COL6A3 mutations (DYT27)
Authors: Jochim Angela , Zech Michael , Gora‐Stahlberg Gina , Winkelmann Juliane , Haslinger Bernhard
Published: December 2015

Background and Purpose

We recently identified mutations in the a3 (VI) collagen gene COL6A3 that cause autosomal‐recessive isolated dystonia (DYT27). This article gives a detailed description of the clinical phenotype associated with this new type of dystonia.

Methods

A total of 5 recessive COL6A3 mutation carriers underwent clinical examinations, and case histories were recorded on videotape.

Results

Biallelic COL6A3 mutations cause isolated dystonia with interindividual heterogeneity of distribution and severity. Dystonia was generalized in 3 patients, pronounced in the cranio‐cervical region, upper limbs, and trunk; segmental in 1 patient, with the neck and upper limbs affected; and focal with cervical involvement in another patient. Symptoms began in childhood, adolescence, or early adulthood, initially affecting the neck as cervical dystonia or the hand as writer's cramp.

Conclusion

COL6A3‐associated dystonia represents a newly identified autosomal‐recessive entity characterized clinically by an early symptom onset with variable distribution. © 2015 Movement Disorder Society
GATA5 mutation homozygosity linked to a double outlet right ventricle phenotype in a Lebanese patient
Authors: Kassab Kameel , Hariri Hadla , Gharibeh Lara , Fahed Akl C. , Zein Manal , El‐Rassy Inaam , Nemer Mona , El‐Rassi Issam , Bitar Fadi , Nemer Georges
Published: December 2015

Background

GATA transcription factors are evolutionary conserved zinc finger proteins with multiple roles in cell differentiation/proliferation and organogenesis. GATA5 is only transiently expressed in the embryonic heart, and the inactivation of both Gata5 alleles results in a partially penetrant bicuspid aortic valve (BAV) phenotype in mice. We hypothesized that only biallelic mutations in GATA5 could be disease causing.

Methods

A total of 185 patients with different forms of congenital heart disease (CHD) were screened along 150 healthy individuals for GATA4, 5, and 6. All patients' phenotypes were diagnosed with echocardiography.

Results

Sequencing results revealed eight missense variants (three of which are novel) in cases with various conotruncal and septal defects. Out of these, two were inherited in recessive forms: the p.T67P variant, which was found both in patients and in healthy individuals, and the previously described p.Y142H variant which was only found in a patient with a double outlet right ventricle (DORV). We characterized the p.Y142H variant and showed that it significantly reduced the transcriptional activity of the protein over cardiac promoters by 30–40%.

Conclusion

Our results do prove that p.Y142H is associated with DORV and suggests including GATA5 as a potential gene to be screened in patients with this phenotype.
Trans‐11 vaccenic acid improves insulin secretion in models of type 2 diabetes in vivo and in vitro
Authors: Wang Xiaofeng , Gupta Joel , Kerslake Matthew , Rayat Gina , Proctor Spencer D. , Chan Catherine B.
Published: December 2015

Scope

Trans‐11 vaccenic acid (VA) is a fatty acid produced by ruminants entering the human food supply through meat and dairy products, which appears not to have the health risks associated with industrially produced trans‐fatty acids. In this study, we investigated the effect of VA on insulin secretion in vivo in rats and in vitro in human and rat islets after diabetogenic insult.

Methods and results

Hyperglycemic clamp showed that VA dietary supplementation for 8 weeks significantly increased glucose turnover in rats with type 2 diabetes (T2D), accompanied by an elevated plasma C‐peptide concentration, indicating improved insulin secretion. The β‐cell area and proliferation rate were higher in T2D+VA than T2D group. Isolated islets from T2D+VA rats had higher glucose‐stimulated insulin secretion (GSIS) than T2D group. In vitro, VA treatment for 24 and 48 h significantly enhanced GSIS in rat and human islets after diabetogenic challenges. The mRNA expression of G‐protein‐coupled receptor 40 (GPR40) and regenerating islet‐derived 1α (REG‐1α) were consistently increased by VA in both rat and human islets.

Conclusion

These results indicate that VA may improve insulin secretion and growth of islets in T2D, at least partly by altering GPR40 and REG‐1α mRNA expression.
Folate deficiency and over‐supplementation causes impaired folate metabolism: Regulation and adaptation mechanisms in Caenorhabditis elegans
Authors: Ortbauer Martina , Ripper Doris , Fuhrmann Thomas , Lassi Maximilian , Auernigg‐Haselmaier Sandra , Stiegler Christina , König Jürgen
Published: December 2015

Scope

Impaired folate metabolism increases the risk of birth defects, neurodegenerative and cardiovascular disease, osteoporosis and cancer. We used Caenorhabditis elegans to investigate impaired folate metabolism by RNA interference of key enzymes in the methionine synthase (MS) and thymidylate synthase (TS) cycle and by folate deficiency and over‐supplementation feeding studies.

Methods and results

Folate status is influenced by genetic variations (polymorphisms), folate deficiency and supplementation. Single RNAi of dihydrofolate reductase (DHFR), methylenetetrahydrofolate reductase (MTHFR) and MS revealed that gene regulation is largely affected in both folate cycles. Adaptation requires a close transcriptional connection between TS and MS cycle. Coupled DHFR and MS expression is required to balance both cycles, but seems to reduce the overall rate of folate conversion. Feeding studies showed that folate over‐supplementation to functioning metabolism inactivates MS and MTHFR expression and enhances TS activity, which favors DNA synthesis over methylation reactions. Folate deficiency disrupted homeostasis by favoring TS cycle and led to malformation in C. elegans offspring. Embryos show aneuploidy and are nonviable lacking DNA repair during meiotic stage of diakinesis.

Conclusion

Single gene silencing alters gene expression in both cycles and disrupts folate homeostasis. Folate over‐supplementation and deficiency favors TS over MS cycle and causes prophase DNA damage.
Confronting a Trinity of Institutional Barriers: Denial, Cover‐Up, and Secrecy
Authors: Barker Holly M.
Published: December 2015

Discourses of government and the nuclear industry erase previous fear and knowledge about the damages and injuries from nuclear weapons that impact indigenous communities. This cover‐up enables nuclear states and nuclear industries to promote nuclear energy as a viable response to climate change. Many people, including environmentalists, consider nuclear energy to be the only viable energy source for the future global economy in that it does not contribute to climate change. It is difficult for us to consider the full scope of the risks that accompany decisions to embrace nuclear energy as a means to reduce greenhouse gas emissions, however, because lessons learned about radiation remain secret or silenced.