bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Temperature‐Independent, Large Dielectric Constant Induced by Vacancy and Partial Anion Order in the Oxyfluoride Pyrochlore Pb2Ti2O6‐δF2δ.
Authors: Oka Kengo , Hojo Hajime , Azuma Masaki , Oh‐ishi Katsuyoshi
Published: September 2016

The A2B2X6X′0.5‐type pyrochlore Pb2Ti2O5.4F1.2 is prepared as a single phase by solid state reaction of stoichiometric amounts of PbO, PbF2, and TiO2 (evacuated Pyrex tubes, 873 K, 12 h).
ChemInform Abstract: Stereoselective Arene‐Forming Aldol Condensation: Synthesis of Axially Chiral Aromatic Amides.
Authors: Faeseke Vincent C. , Sparr Christof
Published: September 2016

A convenient enantioselective synthesis of axially chiral carboxylic amides from homoallyl alkynes having an arylglyoxylic amide substituent is developed.
ChemInform Abstract: Synthesis of Homoallylic Amines and Acylhydrazides by Tin Powder‐Promoted Multicomponent One‐Pot Allylation Reactions.
Authors: Ma Junyan , Huang Danfeng , Wang Ke‐Hu , Xu Yanli , Chong Siying , Su Yingpeng , Fu Ying , Hu Yulai
Published: September 2016

N‐Acylhydrazines are found to be more reactive than amines.They can not only react with aldehydes but also with ketones to give corresponding N‐homoallylic hydrides.
ChemInform Abstract: Decarboxylative Dearomatization and Mono‐α‐arylation of Ketones.
Authors: Mendis Shehani N. , Tunge Jon A.
Published: September 2016

The first example of a palladium‐catalyzed decarboxylative dearomatization reaction that occurs via Pd‐π‐benzyl intermediates is reported.
ChemInform Abstract: Palladium(II)‐Catalyzed Cross‐Dehydrogenative Coupling (CDC) of N‐Phthaloyl Dehydroalanine Esters with Simple Arenes: Stereoselective Synthesis of Z‐Dehydrophenylalanine Derivatives.
Authors: Bartoccini Francesca , Cannas Diego Maria , Fini Francesco , Piersanti Giovanni
Published: September 2016

The title reaction involves the cleavage of two sp2 C—H bonds followed by C—C bond formation, generating (Z)‐dehydrophenylalanine skeletons in a stereoselective and atom economical manner.
ChemInform Abstract: Asymmetric Cross‐ and Self‐Aldol Reactions of Aldehydes in Water with a Polystyrene‐Supported Triazolylproline Organocatalyst.
Authors: Llanes Patricia , Sayalero Sonia , Rodriguez‐Escrich Carles , Pericas Miquel A.
Published: September 2016

A polystyrene‐supported triazolylproline is used as catalyst for the enantionselective cross‐aldol reaction and for the self‐aldol reaction of aldehydes.
ChemInform Abstract: 2‐Arylindoles: A New Entry to Transition Metal‐Free Synthesis of 2‐Aminobenzophenones.
Authors: Yu Jin , Moon Hye Ran , Min Beom Kyu , Kim Jae Nyoung
Published: September 2016

Aminobenzophenones (II) and aminoaryl alkyl ketones (IV) are synthesized starting from substituted indoles under O2 balloon atmosphere without the need of transition metal catalysts or organometallic reagents.
ChemInform Abstract: Enantioselective Sulfoxidation Catalyzed by a Bisguanidinium Diphosphatobisperoxotungstate Ion Pair.
Authors: Ye Xinyi , Moeljadi Adhitya Mangala Putra , Chin Kek Foo , Hirao Hajime , Zong Lili , Tan Choon‐Hong
Published: September 2016

An enantioselective tungstate‐catalyzed oxidation of heterocyclic or phenyl substituted sulfides is developed using H2O2 as the reagent and a chiral bisguanidinium catalyst.
ChemInform Abstract: Transfer of Electrophilic NH Using Convenient Sources of Ammonia: Direct Synthesis of NH Sulfoximines from Sulfoxides.
Authors: Zenzola Marina , Doran Robert , Degennaro Leonardo , Luisi Renzo , Bull James A.
Published: September 2016

An extremely useful method for the conversion of variously substituted sulfoxides to sulfoximines using ammonium carbamate as nitrogen source is reported.
ChemInform Abstract: Excellent Suzuki—Miyaura Catalytic Activity of a New Pd(II) Complex with Sulfonamide—Schiff Base Ligand.
Authors: Banik Biplab , Tairai Archana , Bhattacharyya Pradip K. , Das Pankaj
Published: September 2016

The novel catalyst exhibits excellent cross‐coupling activity.
ChemInform Abstract: Amino Acid‐Derived N‐Heterocyclic Carbene Palladium Complexes for Aqueous Phase Suzuki—Miyaura Couplings.
Authors: Steeples Elliot , Kelling Alexandra , Schilde Uwe , Esposito Davide
Published: September 2016

Five novel PEPPSI‐type Pd‐NHC complexes are synthesized.
ChemInform Abstract: One‐Pot Synthesis of Nitronaphthalenes from Morita—Baylis—Hillman Acetates and Primary Nitroalkanes via Sequential SN2′‐Intramolecular Oxidative Nucleophilic Substitution of Hydrogen‐E2 Elimination.
Authors: Kim Su Yeon , Kim Ko Hoon , Min Beom Kyu , Kim Jimin , Kim Jae Nyoung
Published: September 2016

Polysubstituted nitronaphthalenes are synthesized via the title reaction in moderate yields in an one‐pot procedure.
ChemInform Abstract: Microwave‐Assisted Synthesis of Functionalized Spirohydantoins as 3‐D Privileged Fragments for Scouting the Chemical Space.
Authors: Prevet Hugues , Flipo Marion , Roussel Pascal , Deprez Benoit , Willand Nicolas
Published: September 2016

A wide variety of spirohydantoins are prepared via microwave‐assisted reactions of cyclic ketones with KCN and ammonium carbonate.
ChemInform Abstract: Iodine‐Catalyzed Regioselective Sulfenylation of Indoles with Thiols in Water.
Authors: He Yongqin , Liu Shengkang , Wen Ping , Tian Wanfa , Ren Xiaoyu , Zhou Qiangxiao , Ma Haojie , Huang Guosheng
Published: September 2016

The title reaction features broad substrate scope, mild reaction conditions, excellent regioselectivity, and excellent yields.
ChemInform Abstract: Synthesis of Novel Imidazopyrrolo‐Fused Isoxazole Derivatives Through Acid‐Mediated Intramolecular 1,3‐Dipolar Cycloaddition
Authors: Xu Yin , Wang Fukai , Li Jiling , Shao Xusheng , Xu Xiaoyong , Li Zhong
Published: September 2016

starting from various nitromethylene‐imidazolidine derivatives
ChemInform Abstract: Gold(I)‐Catalyzed Generation of the Two Components of a Formal [4 + 2] Cycloaddition Reaction for the Synthesis of Tetracyclic Pyrano[2,3,4‐de]chromenes.
Authors: Arto Tamara , Fananas Francisco J. , Rodriguez Felix
Published: September 2016

A novel gold‐catalyzed cascade reaction of ortho‐alkynyl substituted salicylaldehydes with alkynylamines is developed to provide tetracyclic products (III) with excellent diastereoselectivity.
ChemInform Abstract: Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π‐Bond‐Activated Cyclization.
Authors: Ding Dong , Mou Tao , Feng Minghao , Jiang Xuefeng
Published: September 2016

A ligand‐assisted gold‐catalyzed regiodivergent intramolecular hydroarylation of alkynes by means of a directing group is described which tolerates various aryl, hetaryl and alkyl and even steroidal substituents.
ChemInform Abstract: Fast Regioselective Sulfonylation of Pyridine/Quinoline N‐Oxides Induced by Iodine
Authors: Wang Ruijia , Zeng Zebing , Chen Chuang , Yi Niannian , Jiang Jun , Cao Zhong , Deng Wei , Xiang Jiannan
Published: September 2016

under metal‐free conditions
ChemInform Abstract: Synthesis of Linker Isomers of Quinolin‐6‐yloxyacetamide Fungicides Through Newman—Kwart Rearrangement.
Authors: Kessabi Fiona Murphy , Quaranta Laura , Beaudegnies Renaud , Lamberth Clemens
Published: September 2016

Novel quinolin‐6‐ylthioacetamides are prepared.
ChemInform Abstract: A Unique Annulation of 7‐Azaindoles with Alkenyl Esters to Produce π‐Conjugated 7‐Azaindole Derivatives.
Authors: Li Shuai‐Shuai , Liu Chen‐Fei , Xia Ying‐Qi , Li Wei‐Huan , Zhang Guo‐Tai , Zhang Xiao‐Mei , Dong Lin
Published: September 2016

Tetracyclic products are efficiently obtained by application of a base as key of the annulation reactions.
ChemInform Abstract: Ruthenium‐Catalyzed Enantioselective Hydrogenation of 1,8‐Naphthyridine Derivatives.
Authors: Ma Wenpeng , Chen Fei , Liu Youran , He Yan‐Mei , Fan Qing‐Hua
Published: September 2016

The first asymmetric hydrogenation of 2,7‐disubstituted naphthyridines is carried out by using phosphine‐free chiral cationic ruthenium diamine catalysts achieving good to excellent enantioselectivities.
ChemInform Abstract: A Copper Catalyzed Multicomponent Cascade Redox Reaction for the Synthesis of Quinazolinones.
Authors: Shinde Mahesh H. , Kshirsagar Umesh A.
Published: September 2016

A multicomponent reaction of ortho‐bromobenzamides, benzylic alcohols, and sodium azide affords quinazolinones by azidation of bromobenzamide via an SNAr reaction and oxidation of benzyl alcohol followed by sequential reduction—condensation—oxidation.
ChemInform Abstract: Enantioselective Synthesis of Indole‐Annulated Medium‐Sized Rings.
Authors: Huang Lin , Dai Li‐Xin , You Shu‐Li
Published: September 2016

An asymmetric iridium‐catalyzed tandem allylic dearomatization/retro‐Mannich/hydrolysis reaction under mild reaction conditions is presented.
ChemInform Abstract: Palladium(II)‐Catalyzed Switchable Mono‐/Diselenylation of Arenes Controlled by Solvent Effects.
Authors: Jin Weiwei , Zheng Poonnapa , Law Ga‐Lai , Wong Wing‐Tak
Published: September 2016

The reaction of 2‐arylpyridines with N‐(phenylseleno)phthalimide gives rise to monoselenylation products (III) or diselenylation products (IV) depending on the ratio of DMSO and water in the solvent mixture.
ChemInform Abstract: Lanthanide‐Based Metal Organic Frameworks: Synthetic Strategies and Catalytic Applications
Authors: Pagis Celine , Ferbinteanu Marilena , Rothenberg Gadi , Tanase Stefania
Published: September 2016

Review: 114 refs.
ChemInform Abstract: Reducing Them Down To Charge Them Up: Low Temperature Catalyst Activation
Authors: Schrock Richard R.
Published: September 2016

Review: 9 refs.
ChemInform Abstract: Copper‐Catalyzed Oxidation of Alkenes and Heterocycles
Authors: Garcia‐Cabeza Ana Leticia , Moreno‐Dorado F. Javier , Ortega Maria J. , Guerra Francisco M.
Published: September 2016

Review: [90 refs.
ChemInform Abstract: Copper(II)‐Catalyzed Nitroaldol (Henry) Reactions: Recent Developments
Authors: Murugavel Govindarasu , Sadhu Pradeep , Punniyamurthy Tharmalingam
Published: September 2016

Review: [32 refs.
ChemInform Abstract: Alphabet‐Inspired Design of (Hetero)Aromatic Push—Pull Chromophores
Authors: Klikar Milan , Solanke Parmeshwar , Tydlitat Jiri , Bures Filip
Published: September 2016

Review: [105 refs.
ChemInform Abstract: Molecular Assembly of Polysaccharide‐Based Microcapsules and Their Biomedical Applications
Authors: Feng Xiyun , Du Cuiling , Li Junbai
Published: September 2016

Review: [58 refs.
ChemInform Abstract: Organocatalyzed Group Transfer Polymerization
Authors: Chen Yougen , Kakuchi Toyoji
Published: September 2016

Review: 112 refs.
ChemInform Abstract: Enantioselective Cu‐Catalyzed Functionalizations of Unactivated Alkenes
Authors: Soradova Zuzana , Sebesta Radovan
Published: September 2016

Review: [40 refs.
ChemInform Abstract: Photocatalytic Anion Oxidation and Applications in Organic Synthesis
Authors: Hering Thea , Meyer Andreas Uwe , Koenig Burkhard
Published: September 2016

Review: 49 refs + subrefs.
ChemInform Abstract: Ionic Liquids in Chromatographic and Electrophoretic Techniques: Toward Additional Improvements in the Separation of Natural Compounds
Authors: Soares Belinda , Passos Helena , Freire Carmen S. R. , Coutinho Joao A. P. , Silvestre Armando J. D. , Freire Mara G.
Published: September 2016

Review: 95 refs.
Rückgewinnung von Zinn aus ehemaligen Bergbauhalden
Authors: Pätzold Carsten , Greb Valentin‐Gregor , Bertau Martin
Published: September 2016

Ehemalige Bergbau‐ und Hüttenhalden sind aufgrund ihres Rohstoffpotenzials ins Blickfeld des Interesses gerückt. Mit modernen, angepassten Verfahren der Pyro‐ und Hydrometallurgie sind heute verbesserte Möglichkeiten der Aufbereitung gegeben, ausgewählte Elemente anzureichern und einer Weiterverarbeitung zuzuführen. Eine hohe Wertschöpfung bietet die Rückgewinnung von Zinn aus Tailingmaterial der früheren Kassiteritaufbereitung. Durch Reduktion des Metalloxids und nachfolgender Abtrennung ist ein vielversprechender Weg gegeben, Zinn aus Rückständen zu gewinnen und dem Rohstoffkreislauf zuzuführen.
Comparison of in Silico, Electrochemical, in Vitro and in Vivo Metabolism of a Homologous Series of (Radio)fluorinated σ1 Receptor Ligands Designed for Positron Emission Tomography
Authors: Wiese Christian , Große Maestrup Eva , Galla Fabian , Schepmann Dirk , Hiller Achim , Fischer Steffen , Ludwig Friedrich‐Alexander , Deuther‐Conrad Winnie , Donat Cornelius K. , Brust Peter , Büter Lars , Karst Uwe , Wünsch Bernhard
Published: September 2016

The imaging of σ1 receptors in the brain by fluorinated radiotracers will be used for the validation of σ1 receptors as drug targets as well as for differential diagnosis of diseases in the central nervous system. The biotransformation of four homologous fluorinated PET tracers 1′‐benzyl‐3‐(ω‐fluoromethyl to ω‐fluorobutyl)‐3H‐spiro[2]benzofuran‐1,4′‐piperidine] ([18F]1–4) was investigated. In silico studies using fast metabolizer (FAME) software, electrochemical oxidations, in vitro studies with rat liver microsomes, and in vivo metabolism studies after application of the PET tracers [18F]1–4 to mice were performed. Combined liquid chromatography and mass spectrometry (HPLC–MS) analysis allowed structural identification of non‐radioactive metabolites. Radio‐HPLC and radio‐TLC provided information about the presence of unchanged parent radiotracers and their radiometabolites. Radiometabolites were not found in the brain after application of [18F]2–4, but liver, plasma, and urine samples contained several radiometabolites. Less than 2 % of the injected dose of [18F]4 reached the brain, rendering [18F]4 less appropriate as a PET tracer than [18F]2 and [18F]3. Compounds [18F]2 and [18F]3 possess the most promising properties for imaging of σ1 receptors in the brain. High σ1 affinity (Ki=0.59 nm), low lipophilicity (logD7.4=2.57), high brain penetration (4.6 % of injected dose after 30 min), and the absence of radiometabolites in the brain favor the fluoroethyl derivative [18F]2 slightly over the fluoropropyl derivative [18F]3 for human use.
The association between mammographic calcifications and breast cancer prognostic factors in a population‐based registry cohort
Authors: Nyante Sarah J. , Lee Sheila S. , Benefield Thad S. , Hoots Tiffany N. , Henderson Louise M.
Published: September 2016

BACKGROUND

Mammographic calcifications can be a marker of malignancy, but their association with prognosis is less well established. In the current study, the authors examined the relationship between calcifications and breast cancer prognostic factors in the population‐based Carolina Mammography Registry.

METHODS

The current study included 8472 invasive breast cancers diagnosed in the Carolina Mammography Registry between 1996 and 2011 for which information regarding calcifications occurring within 2 years of diagnosis was reported. Calcification‐specific Breast Imaging Reporting and Data System (BI‐RADS) assessments were reported prospectively by a radiologist. Tumor characteristic data were obtained from the North Carolina Central Cancer Registry and/or pathology reports. Multivariable‐adjusted associations between the presence of calcifications in the breast affected by cancer and tumor characteristics were estimated using logistic regression. Statistical tests were 2‐sided.

RESULTS

The presence of calcifications was found to be positively associated with tumors that were high grade (vs low grade: odds ratio [OR], 1.43; 95% confidence interval [95% CI], 1.10‐1.88) or had an in situ component (vs without: OR, 2.15; 95% CI, 1.81‐2.55). Calcifications were found to be inversely associated with hormone receptor‐negative status (vs positive status: OR, 0.73; 95% CI, 0.57‐0.93), size >35 mm (vs ≤8 mm: OR, 0.47; 95% CI, 0.37‐0.61), and lobular tumors (vs ductal: OR, 0.39; 95% CI, 0.22‐0.69). The association between the presence of calcifications and an in situ component was limited to BI‐RADS category 4 and 5 calcifications and was absent for BI‐RADS category 2 or 3 calcifications (P for heterogeneity <.01). The association with tumor size was found to be strongest for BI‐RADS categories 3 and 4 (P for heterogeneity <.01).

CONCLUSIONS

Calcifications were found to be associated with both unfavorable (high grade) and favorable (small size, hormone receptor positivity) prognostic factors. Detailed analysis of the biological features of calcifications is necessary to understand the mechanisms driving these associations. Cancer 2017;123:219–227. © 2016 American Cancer Society.
Green wave tracking by large herbivores: an experimental approach
Authors: Rivrud Inger Maren , Heurich Marco , Krupczynski Philipp , Müller Jörg , Mysterud Atle
Published: September 2016

The forage maturation hypothesis (FMH) states that herbivores should follow the onset of growth in spring to obtain access to forage of higher quality and quantity, the so‐called “green wave surfing.” Several studies have found correlative evidence in support of this by associating animal movement with plant phenology. However, experimental manipulation of vast natural systems determining causes of large herbivore movement is usually beyond reach. The unique management system involving winter enclosures for wild red deer (Cervus elaphus) in Germany facilitated an opportunity for an experimental approach. We manipulated release dates of red deer into free‐ranging conditions in spring, predicting increased overall access to high quality forage if released early (1 April), and more rapid initial movement speed towards higher elevation if released late (15 May). The latter had lower access to high quality forage than individuals released early, as they missed parts of the green wave. In strong support of the FMH, individuals released late moved at faster initial speed than early released individuals which tracked the green wave more closely, both settling when reaching similar elevations. This shows that red deer were flexible in their movements, and they can adapt to new patterns of phenology by phenotypic plasticity.
Comparative study of removal of reactive dye by LDHs: The effect of cation variety
Authors: Samuei Sara , Rezvani Zolfaghar , Amani‐Ghadim Ali Reza
Published: September 2016

Three types of layered double hydroxides (LDHs) including Mg‐Fe, Mg‐Al‐Fe, and Mg‐Zn‐Al‐Fe were synthesized by the coprecipitation method. Nanoparticles of the LDH adsorbents were characterized by X‐ray powder diffraction (PXRD), thermal gravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT‐IR), and specific surface area measurement. The size and morphology of nanoparticles were inspected by scanning electron microscopy (SEM). The comparative study was performed to evaluate the effect of cation variety on removal of C.I. Reactive Red 43 dye. Adsorption capacity of LDHs was obtained as: 279.23, 210.4, 150.03 mg/g for 4, 3, and 2 cationic LDH respectively. Batch adsorption experiments were carried out at room temperature (25°C) under various conditions such as contact time, solution pH, and dye concentration (20–60‐100 mg/L). Results revealed that adsorption rate increases with increase in contact time as long as equilibration is established and decreases as dye concentration increases. The effect of solution pH was investigated and urban water pH without adjustment was selected as the operational pH. It was found that the adsorption capacity of LDH containing four cations (Mg‐Zn‐Al‐Fe) is higher than that of others which can be attributed to the highest degree of crystallinity and the highest total pore volume (0.059 cm3/g) of this LDH. The kinetic and isotherm studies were performed on four cationic LDH and the results show that adsorption of dye onto LDH fits to the Freundlich equation as well, which confirms multilayer adsorption. Moreover, the regeneration study indicates that the prepared LDH could be used for several cycles. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 372–381, 2017
The effect of proteolytic activity of starter cultures on technologically important properties of yogurt
Authors: Amani Elahe , Eskandari Mohammad Hadi , Shekarforoush Shahram
Published: September 2016

In this study, the effects of proteolytic activity of yogurt starter bacteria on physicochemical and technological properties of yogurt were investigated. Moreover, impact of proteolytic activity and production of exopolysaccharide (EPS) on the performance of each strain were screened. In order to compare the textural properties of yogurt samples, four parameters were evaluated: syneresis, water‐holding capacity, cohesiveness, and hardness. Results showed that strains with high proteolytic activity had lower acidifying activity during fermentation and storage. Samples containing EPS‐producing starter cultures had low proteolytic activity except samples K, L, and M. These differences related to nature and characteristics of each strain. Counts of starter cultures in samples produced using strains with high proteolytic activity were higher than other samples. Textural analysis data showed significant differences (p < .05) among strains in the four tested parameters. Strains with high proteolytic activity showed lower texture properties than other samples. Evaluation of sensory characteristics also showed samples prepared using strains with low or medium proteolytic activity and produced with EPS‐producing strains have higher overall acceptability than other samples. Accordingly, microbial, physicochemical, and sensory properties of produced yogurts confirm that proteolytic activity is one of the most effective factors in quality of product and performance of each strain.
Morphometric analysis of Early Permian fusulinids from east‐central Iran: a new approach to defining fusulinid species reliably
Authors: Arefifard Sakineh
Published: September 2016

Fusulinid fauna from the late Sakmarian–early Artinskian Khan Formation in the Kalmard area, east‐central Iran, was studied using morphometric techniques to test the reliability of previous taxonomic descriptions. Fusulinids in the Kalmard area have been previously grouped into three genera (Eoparafusulina,Perigondwania, andNeodutkevitchia) and ‘20 species’. Results of ordination analyses (PCA and RDA) reveal that the genera are readily distinguished, whereas only a few species previously defined within the generaEoparafusulinaandPerigondwaniaare recognizable. This suggests that the taxonomic descriptions and measurements for different structural elements for some of these fusulinid species are not sufficient to justify erecting separate taxonomic names. Since fusulinids are really important fauna for biostratigraphic and palaeobiogeographic interpretation in the late Palaeozic, defining species based on quantitative analysis of their morphological structures should be more accurate and improve the quality of regional correlations. Copyright © 2016 John Wiley & Sons, Ltd.
Application of CdSe–PVK Nanocomposite as a Hole Transport Layer for OLEDs
Authors: Mozaffari Morteza , Amiri Shima , Jafarzadeh Mohammad , Fallah Hamid Reza , Shatooti Sara
Published: September 2016

An organic light‐emitting diode was fabricated using cadmium selenide (CdSe)/poly(N‐vinylcarbazole) nanocomposite as the hole transport layer (HTL). The CdSe nanoparticles (NPs) with a mean crystallite size of 6.2 nm were prepared by high‐energy ball milling. Based on the current–voltage curves, the threshold voltage (V
th) of the composite diode was found to be ~1.3 ± 0.1 V lower than that of the diode without CdSe, with a significant increase in the current density for the composite diode. Moreover, the electroluminescence (EL) properties (luminous flux, emittance, and intensity) of the diode were found to be enhanced by ~16% with respect to those of the diode without CdSe. The decrease of the threshold voltage and the increase of the current density and the EL were due to the CdSe NPs that operate as hole trap centers in the HTL.
Lipase‐catalyzed synthesis of long‐chain cellulose esters using ionic liquid mixtures as reaction media
Authors: Wang Fengli , Zhao Guanglei , Lang Xiongfei , Li Junrong , Li Xiaofeng
Published: September 2016

BACKGROUND

Long‐chain cellulose esters can be used as packaging materials, film materials, biodegradable plastics and drug delivery agents. Chemical methods are commonly adopted for preparation of these esters using traditional chemical catalysts and organic solvents, which result in environmental and safety problems.

RESULT

A new enzymatic method was tested for synthesis of long‐chain cellulose esters in mixed ionic liquids. The key reaction conditions, including mass ratio of ionic liquids, acylating agents, lipase/cellulose mass ratio, reaction temperature and substrate molar ratio, showed significant influences on enzymatic acylation. FT‐IR and 1H NMR spectra indicated the successful acylation of hydroxyl groups. SEM and XRD data showed significant changes in morphologies and crystallinity. The thermal properties of products were different from the original due to the disruption effect of ILs and the enzymatic acylation.

CONCLUSION

A facile one‐step route is presented for synthesis of long‐chain cellulose esters. The lipase‐catalyzed synthesis is an ecofriendly and green approach for the modification of cellulose by replacing traditional chemical catalysts with enzymes and replacing organic solvents with ionic liquids. This biocatalytic approach may find its applications in preparation of potentially biodegradable materials for food, pharmaceutical and related industries. © 2016 Society of Chemical Industry
Comparison of two types of bioreactors for synthesis of bacterial nanocellulose tubes as potential medical prostheses including artificial blood vessels
Authors: Tang Jingyu , Li Xue , Bao Luhan , Chen Lin , Hong Feng F
Published: September 2016

BACKGROUND

Bacterial nanocellulose (BNC) has prospects for use in applications of artificial blood vessels, esophagus and urethra. Several bioreactors have been utilized for synthesis of BNC tubes, however, little is known about differences in biosynthesis processes and tube properties. The current work for the first time compared two types of bioreactors, double‐silicone‐tube (D‐BNC) and single‐silicone‐tube (S‐BNC) bioreactors, to evaluate differences in preparation and properties of BNC tubes using fructose or glucose of 50 g L−1 and 100 g L−1, respectively.

RESULTS

The two bioreactors showed different biosynthesis processes of BNC tube production. The D‐BNC bioreactor provided higher yields and better mechanical performance of tubes because of the greater oxygen supply. Higher fructose concentration resulted in increased production of D‐BNC, but sugar types and concentrations had little effect on S‐BNC yields. Fructose granted stronger mechanical properties, but lower water permeability. Both types of tubes prepared with 100 g L−1 fructose were composed of porous nano‐fibrillar networks but showed different cross‐sectional morphologies and fiber distributions.

CONCLUSION

This study revealed the biosynthesis processes of BNC tubes in two bioreactors and their correlation with properties. The results suggest how to regulate BNC tubes with particular structures and properties for biomedical prostheses including artificial blood vessels. © 2016 Society of Chemical Industry
Time‐multiplexed tiled projection system with improved pixel and spatial resolution
Authors: Seifert Hagen , Ranieri Nicola , Smithwick Quinn , Gross Markus
Published: September 2016

We propose two methods to increase the pixel and spatial resolution of Digital Micromirror Devices (DMD)‐based projectors by utilizing the large bandwidth provided by their high pattern rates. By varying the intensity of the illumination for each binary pattern displayed on the DMD, the time required to display an 8‐bit grayscale image can be reduced by up to factor 32 compared to using constant illumination and binary pulse‐width modulation (BPWM). The high image rate projection is then spatially separated by either using a galvanometer scanner or sequentially illuminating the DMD from different directions, thus creating multiple independently addressable projections which are then tiled to form a larger, higher resolution image.
Evaluation of Octyltetramethyldisiloxane‐Containing Ethylene Copolymers as Composite Lubricant for High‐Density Polyethylene
Authors: Jin Zhen , Fan Hong , Li Bo‐Geng , Zhu Shiping
Published: September 2016

A series of octyltetramethyldisiloxane‐containing ethylene copolymers, poly(ethylene‐co‐OO7) (abbreviated as E‐co‐OO7), are prepared from vanadium catalyzed copolymerization of ethylene with 1‐oct(7‐en)yl‐3‐octyl‐1,1,3,3‐tetramethyldisiloxane (or OO7) macromonomer. The copolymers containing different silicone contents are employed as composite lubricants for high‐density polyethylene (HDPE). The influences of the silicone content in the copolymer and that of the added copolymer amount in the blend on the bulk and surface properties of the blends are systematically investigated. The results show that E‐co‐OO7 exhibits superior overall performance in comparison with conventional lubricants silicone masterbatch and polyethylene wax. Compared to HDPE control, 10 wt% E‐co‐OO7 addition increases the melt flow rates by 49%, increases the elongation at break from 740 to 860%, increases the water‐contact angle from 90° up to 108°, lowers the coefficient of friction from 0.072 to 0.049, lowers the specific wear rate from 11 × 10−3 to 5.6 × 10−3 mm3 Nm−1. The impact strength and high temperature thermal stability are also slightly improved. The measured Si/C atomic ratios demonstrate the sufficient silicone enrichment on surface of the blends. E‐co‐OO7 with 23.5 SiOSi per 1000 C gives the best internal lubrication, and E‐co‐OO7 with 29.7 SiOSi per 1000 C gives the best external lubrication.

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A functional variant at the miRNA binding site in E2F1 gene is associated with risk and tumor HPV16 status of oropharynx squamous cell carcinoma
Authors: Yuan Ying , Sturgis Erich M. , Zhu Lijun , Lu Meixia , Li Yuncheng , Wei Qingyi , Li Guojun
Published: September 2016

Human papillomavirus (HPV) activates E2F1‐driven transcription via the E7‐RB1‐E2F pathway. Genetic polymorphisms in the 3′ untranslated region (UTR) targeted by miRNAs can affect the regulation of target genes and individual cancer risk. Thus, we hypothesized that a polymorphism at the 3′UTR miRNA binding site of E2F1 gene (rs3213180) was associated with risk of oral squamous cell carcinoma (OSCC) and tumor HPV status of oropharynx squamous cell carcinoma (OPSCC). We determined the E2F1rs3213180 polymorphism and HPV16 L1 serology of 325 OSCC patients and 335 controls, and tumor HPV16 status of 552 OPSCC. Logistic regression models were used to calculate associations of E2F1rs3213180 polymorphism with risk of HPV‐associated OSCC and tumor HPV status of OPSCC. The risk of HPV‐associated OSCC was modified by the E2F1rs3213180 polymorphism. Patients with both HPV seropositivity and the Ins/Del or Ins/Ins genotype of E2F1rs3213180 had the highest risk of OSCC, while the lowest risk was detected in patients with HPV seronegativity and the Del/Del genotype. A similar and more prominent effect was detected in OPSCC, but not in oral cavity squamous cell carcinoma (OCSCC) patients. Notably, that effect trend was pronounced in never‐smokers and never‐drinkers. Furthermore, the patients with the E2F1rs3213180 Ins/Del or Ins/Ins genotype were 2.9 times more likely to have HPV‐positive tumors than those with the Del/Del genotype. Our results suggest that the E2F1rs3213180 polymorphism may influence susceptibility to HPV‐associated OSCC, particularly for OPSCC, never‐smokers and never‐drinkers, but not for patients with OCSCC. Additional larger population and functional studies are warranted to confirm our findings. © 2016 Wiley Periodicals, Inc.
Lesion distribution among 281 patients with sporadic neuralgic amyotrophy
Authors: Ferrante Mark A. , Wilbourn Asa J.
Published: September 2016

Introduction

The muscles commonly affected by neuralgic amyotrophy (NA) are well known, but the location of the responsible lesions is less clear (plexus versus extraplexus).

Methods

We report the lesion locations in 281 NA patients as determined by extensive electrodiagnostic (EDX) testing.

Results

Our 281 patients had 322 bouts of NA, 57 of which were bilateral, for a total of 379 assessable events. A single nerve was involved in 174 (46%), and 205 (54%) were multifocal. EDX testing identified 703 individual lesions: 699 neuropathies and 4 supraclavicular radiculoplexus lesions.

Conclusions

The frequency of nerve involvement reflects the motor predilection of NA. Involvement of pure motor nerves exceeded that of predominantly motor nerves, both of which far exceeded involvement of more evenly mixed sensorimotor nerves. Cutaneous sensory nerves were least commonly involved. Because of the common C5–C6 innervation, NA often mimics an upper plexus lesion. Extraplexus nerve involvement far exceeded plexus involvement. Distal motor branch involvement explains the severe single‐muscle wasting and weakness often observed. Muscle Nerve 55: 858–861, 2017
Minimum bottleneck spanning trees with degree bounds
Authors: Andersen Patrick J. , Ras Charl J.
Published: September 2016

Given a graph G with edge lengths, the minimum bottleneck spanning tree (MBST) problem is to find a spanning tree where the length of the longest edge in tree is minimum. It is a well‐known fact that every minimum spanning tree (MST) is a minimum bottleneck spanning tree. In this article, we introduce the δ‐MBST problem, which is the problem of finding an MBST such that every vertex in the tree has degree at most δ. We show that optimal solutions to the similarly defined δ‐MST problem are not necessarily optimal solutions to the δ‐MBST, and we establish that the δ‐MBST problem is NP‐complete for any
. We show that when edge lengths of the graph are Euclidean distances between points in the plane, the problem is NP‐hard for δ = 2 and 3, and tractable for
. We give a dual approximation scheme for the general graph version of the problem which is the best possible with respect to feasibility. For the Euclidean version, we give a
‐factor approximation algorithm for the 4‐MBST. We also give a 2‐factor algorithm for the Euclidean 3‐MBST and a 3‐factor approximation algorithm for the general Euclidean δ‐MBST, both of which can be generalized to metric spaces. © 2016 Wiley Periodicals, Inc. NETWORKS, Vol. 68(4), 302–314 2016
Pseudoeigenvector bases and deflated GMRES for highly nonnormal matrices
Authors: Morgan Ronald B. , Yang Zhao , Zhong Baojiang
Published: September 2016

Pseudoeigenvalues have been extensively studied for highly nonnormal matrices. This paper focuses on the corresponding pseudoeigenvectors. The properties and uses of pseudoeigenvector bases are investigated. It is shown that pseudoeigenvector bases can be much better conditioned than eigenvector bases. We look at the stability and the varying quality of pseudoeigenvector bases. Then applications are considered including the exponential of a matrix. Several aspects of GMRES convergence are looked at, including why using approximate eigenvectors to deflate eigenvalues can be effective even when there is not a basis of eigenvectors.
An a posteriori error estimate for the generalized finite element method for transient heat diffusion problems
Authors: Iqbal Muhammad , Gimperlein Heiko , Mohamed M. Shadi , Laghrouche Omar
Published: September 2016

We propose the study of a posteriori error estimates for time‐dependent generalized finite element simulations of heat transfer problems. A residual estimate is shown to provide reliable and practically useful upper bounds for the numerical errors, independent of the heuristically chosen enrichment functions. Two sets of numerical experiments are presented. First, the error estimate is shown to capture the decrease in the error as the number of enrichment functions is increased or the time discretization refined. Second, the estimate is used to predict the behaviour of the error where no exact solution is available. It also reflects the errors incurred in the poorly conditioned systems typically encountered in generalized finite element methods. Finally, we study local error indicators in individual time steps and elements of the mesh. This creates a basis towards the adaptive selection and refinement of the enrichment functions. Copyright © 2016 John Wiley & Sons, Ltd.
Can Nursing Units With High Fall Rates Be Identified Using One Year of Data? Reliability of Fall Rates As a Function of the Number of Quarters on Which They Are Based
Authors: Staggs Vincent S. , Cramer Emily
Published: September 2016

Reliability—the extent to which multiple measurements of a target yield similar results—is critical in comparing healthcare provider quality. Hospital unit fall rates are widely tracked and used for benchmarking, but their reliability is not well‐studied. Our twofold purpose was to estimate fall rate reliability, both in terms of signal (between‐unit variability) relative to noise (within‐unit variability) and in terms of the accuracy with which units can be classified as high‐fall units; and to assess reliability as a function of the number of quarters of data used to compute fall rates. Using year 2013 data from 11,765 critical care, step‐down, medical, surgical, medical‐surgical, and rehabilitation units in 1,552 US hospitals, we identified high‐fall‐rate units, computed units’ signal‐noise reliability, and simulated data to assess accuracy of high‐fall‐rate unit classification as a function of quarters of data. When critical care units were excluded, median unit type signal‐noise reliabilities for annual total and injurious fall rates, respectively, ranged from .74 to .82 and from .53 to .68. In simulation, seven quarters of data were sufficient to achieve top‐decile misclassification rates at or below 10% for all unit types except critical care. Top‐quartile misclassification rates were higher; even 12 quarters of data did not consistently yield top‐quartile misclassification rates below 10%. In the absence of long‐term data, and for units with low patient volume and unit types with very low fall rates, comparison with a unit's own historical data may be more helpful for quality monitoring than attempting to rank it among its peers. © 2016 Wiley Periodicals, Inc.
High Triterpenic Acids Production in Callus Cultures from Fruit Pulp of Two Apple Varieties
Authors: Verardo Giancarlo , Gorassini Andrea , Ricci Donata , Fraternale Daniele
Published: September 2016

Introduction

Very rarely fruit pulp has been used in in vitro culture to produce secondary metabolites useful in promoting health.

Objectives

The aims of this work were the study of the best conditions to obtain the callus cultures from the pulp of two varieties of apples, Golden Delicious (GD) and “Mela Rosa Marchigiana” (MRM), and the quali‐quantitative analysis of secondary metabolites produced by the two in vitro callus cultures.

Methodology

Callus was induced on both Murashige and Skoog and Gamborg B5 media containing various combinations of supplements. To achieve the maximum recovery of secondary metabolites produced, preliminary extraction tests were carried out on GD apple culture using two different organic solvents (MeOH and EtOAc). The quali‐quantitative analysis of the methanolic extract of both cultures was carried out by ESI‐MSn and GC–MS techniques.

Results

The GC–MS analysis revealed the presence of triterpenic acids, in particular, oleanolic, ursolic, maslinic, pomolic, tormentic, corosolic and annurcoic acid along with a phytosterol, β‐sitosterol. In addition, GD callus culture produced phloridzin, absent in the MRM culture. In this last culture, however, the total amount of secondary metabolites was markedly higher. The in vivo production of these bioactive compounds were also quantified in the GD and MRM apple pulps.

Conclusion

Apple pulps produced higher amounts of triterpenic acids in vitro than in vivo. The present work can be considered a method to amplify the production of important secondary metabolites which exert beneficial effects on human health. Copyright © 2016 John Wiley & Sons, Ltd.
The value of time‐to‐onset in statistical signal detection of adverse drug reactions: a comparison with disproportionality analysis in spontaneous reports from the Netherlands
Authors: Scholl Joep H. G. , van Puijenbroek Eugène P.
Published: September 2016

Purpose

In pharmacovigilance, the commonly used disproportionality analysis (DPA) in statistical signal detection is known to have its limitations. The aim of this study was to investigate the value of the time to onset (TTO) of ADRs in addition to DPA.

Methods

We performed a pilot study using individual case safety reports (ICSRs) for three drugs (Cervarix®, nitrofurantoin and simvastatin) from the Lareb spontaneous reporting database. TTO distributions for drug – ADR associations were compared to other ADRs for the same drug and to other drugs for the same ADR using two‐sample Anderson–Darling testing. Statistically significant associations were considered true positive (TP) signals if the association was present in the official product information of the drug. Sensitivity and specificity for the TTO method were compared with the DPA method. As a measure of disproportionality, the reporting odds ratio (ROR) was used.

Results

In general, sensitivity was lower, and specificity was higher for the TTO method compared to DPA. The TTO method showed similar sensitivity for all three drugs, whereas specificity was lower for Cervarix®. Eight additional TP signals were found using the TTO method compared to DPA.

Conclusions

Our study shows that statistical signal detection based on the TTO alone resulted in a limited number of additional signals compared to DPA. We therefore conclude that the TTO method is of limited value for full database statistical screening in our setting. Copyright © 2016 John Wiley & Sons, Ltd.
PV degradation curves: non‐linearities and failure modes
Authors: Jordan Dirk C. , Silverman Timothy J. , Sekulic Bill , Kurtz Sarah R.
Published: September 2016

Photovoltaic (PV) reliability and durability have seen increased interest in recent years. Historically, and as a preliminarily reasonable approximation, linear degradation rates have been used to quantify long‐term module and system performance. The underlying assumption of linearity can be violated at the beginning of the life, as has been well documented, especially for thin‐film technology. Additionally, non‐linearities in the wear‐out phase can have significant economic impact and appear to be linked to different failure modes. In addition, associating specific degradation and failure modes with specific time series behavior will aid in duplicating these degradation modes in accelerated tests and, eventually, in service life prediction. In this paper, we discuss different degradation modes and how some of these may cause approximately linear degradation within the measurement uncertainty (e.g., modules that were mainly affected by encapsulant discoloration) while other degradation modes lead to distinctly non‐linear degradation (e.g., hot spots caused by cracked cells or solder bond failures and corrosion). The various behaviors are summarized with the goal of aiding in predictions of what may be seen in other systems. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.
Proteomics insights into DNA damage response and translating this knowledge to clinical strategies
Authors: von Stechow Louise , Olsen Jesper V.
Published: September 2016

Genomic instability is a critical driver in the process of cancer formation. At the same time, inducing DNA damage by irradiation or genotoxic compounds constitutes a key therapeutic strategy to kill fast‐dividing cancer cells. Sensing of DNA lesions initiates a complex set of signalling pathways, collectively known as the DNA damage response (DDR). Deciphering DDR signalling pathways with high‐throughput technologies could provide insights into oncogenic transformation, metastasis formation and therapy responses, and could build a basis for better therapeutic interventions in cancer treatment. Mass spectrometry (MS)‐based proteomics emerged as a method of choice for global studies of proteins and their posttranslational modifications (PTMs). MS‐based studies of the DDR have aided in delineating DNA damage‐induced signalling responses. Those studies identified changes in abundance, interactions and modification of proteins in the context of genotoxic stress. Here we review ground‐breaking MS‐based proteomics studies, which analysed changes in protein abundance, protein‐protein and protein‐DNA interactions, phosphorylation, acetylation, ubiquitylation, SUMOylation and Poly(ADP‐ribose)ylation (PARylation) in the DDR. Finally, we provide an outlook on how proteomics studies of the DDR could aid clinical developments on multiple levels.
Multiplexed MRM‐based assays for the quantitation of proteins in mouse plasma and heart tissue
Authors: Percy Andrew J. , Michaud Sarah A. , Jardim Armando , Sinclair Nicholas J. , Zhang Suping , Mohammed Yassene , Palmer Andrea L. , Hardie Darryl B. , Yang Juncong , LeBlanc Andre M. , Borchers Christoph H.
Published: September 2016

The mouse is the most commonly used laboratory animal, with more than 14 million mice being used for research each year in North America alone. The number and diversity of mouse models is increasing rapidly through genetic engineering strategies, but detailed characterization of these models is still challenging because most phenotypic information is derived from time‐consuming histological and biochemical analyses. To expand the biochemists' toolkit, we generated a set of targeted proteomic assays for mouse plasma and heart tissue, utilizing bottom‐up LC/MRM‐MS with isotope‐labeled peptides as internal standards. Protein quantitation was performed using reverse standard curves, with LC‐MS platform and curve performance evaluated by quality control standards. The assays comprising the final panel (101 peptides for 81 proteins in plasma; 227 peptides for 159 proteins in heart tissue) have been rigorously developed under a fit‐for‐purpose approach and utilize stable‐isotope labeled peptides for every analyte to provide high‐quality, precise relative quantitation. In addition, the peptides have been tested to be interference‐free and the assay is highly multiplexed, with reproducibly determined protein concentrations spanning >4 orders of magnitude. The developed assays have been used in a small pilot study to demonstrate their application to molecular phenotyping or biomarker discovery/verification studies.
Redox‐responsive core cross‐linked micelles of poly(ethylene oxide)‐b‐poly(furfuryl methacrylate) by Diels‐Alder reaction for doxorubicin release
Authors: Le Cuong M. Q. , Thi Hai Ha Pham , Cao Xuan Thang , Kim Gun‐Do , Oh Chul‐Woong , Lim Kwon Taek
Published: September 2016

Redox‐responsive core cross‐linked (CCL) micelles of poly(ethylene oxide)‐b‐poly(furfuryl methacrylate) (PEO‐b‐PFMA) block copolymers were prepared by the Diels‐Alder click‐type reaction. First, the PEO‐b‐PFMA amphiphilic block copolymer was synthesized by the reversible addition‐fragmentation chain transfer polymerization. The hydrophobic blocks of PFMA were employed to encapsulate the doxorubicin (DOX) drug, and they were cross‐linked using dithiobismaleimidoethane at 60 °C without any catalyst. Under physiological circumstance, the CCL micelles demonstrated the enhanced structural stability of the micelles, whereas dissociation of the micelles took place rapidly through the breaking of disulfide bonds in the cross‐linking linkages under reduction environment. The core‐cross‐linked micelles showed fine spherical distribution with hydrodynamic diameter of 68 ± 2.9  nm. The in vitro drug release profiles presented a slight release of DOX at pH 7.4, while a significant release of DOX was observed at pH 5.0 in the presence of 1,4‐dithiothreitol. MTT assays demonstrated that the block copolymer did not have any practically cytotoxicity against the normal HEK293 cell line while DOX‐loaded CCL micelles exhibited a high antitumor activity towards HepG2 cells. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 3741–3750