bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Porous Metals and Porous Oxides: New Perspectives for Selective Oxidation Reactions
Authors: Baeumer M. , Neumann B. , Wittstock A.
Published: November 2015

Review: 51 refs.
ChemInform Abstract: Research Development on the Preparation of NiFe Magnetic Nanoparticles
Authors: Liu Yan , Chi Yanxiu , Li Xinyan , Wang Shuai , Lin Sheng
Published: November 2015

Review: 23 refs.
ChemInform Abstract: Integrative Strategies to Hybrid Lamellar Compounds: an Integration Challenge
Authors: Fernandes F. M. , Baradari H. , Sanchez C.
Published: November 2015

Review: 285 refs.
ChemInform Abstract: Tuning the Relative Stability and Reactivity of Manganese Dioxygen and Peroxo Intermediates via Systematic Ligand Modification
Authors: Kovacs Julie A.
Published: November 2015

Review: 47 refs.
ChemInform Abstract: Structural Chemistry of Fluoride and Oxofluoride Complexes of Titanium(IV)
Authors: Davidovich Ruven L. , Marinin Dmitry V. , Stavila Vitalie , Whitmire Kenton H.
Published: November 2015

Review: 138 refs.
ChemInform Abstract: Hydro(solvo)thermal Synthetic Strategy Towards Azido/Formato‐mediated Molecular Magnetic Materials
Authors: Han Song‐De , Zhao Jiong‐Peng , Liu Sui‐Jun , Bu Xian‐He
Published: November 2015

Review: 152 refs.
ChemInform Abstract: Applications of Ultrasound to the Synthesis of Nanoscale Metal‐Organic Coordination Polymers
Authors: Safarifard Vahid , Morsali Ali
Published: November 2015

Review: 157 refs.
ChemInform Abstract: Neutral Organoantimony(III) and Organobismuth(III) Ligands as Acceptors in Transition Metal Complexes ‐ Role of Substituents and Co‐Ligands
Authors: Benjamin Sophie L. , Reid Gillian
Published: November 2015

Review: 55 refs.
ChemInform Abstract: One‐Dimensional Halide‐Bridged Polymers of Metal Cations with Mono‐Heterocyclic Donor Ligands or Cations: A Review Correlating Chemical Composition, Connectivity and Chain Conformation
Authors: Slabbert C. , Rademeyer M.
Published: November 2015

Review: 186 refs.
ChemInform Abstract: Advances in the Lanthanide Metallosupramolecular Chemistry of the Cucurbit[n]urils
Authors: Ni Xin‐Long , Xue Sai‐Feng , Tao Zhu , Zhu Qian‐Jiang , Lindoy Leonard F. , Wei Gang
Published: November 2015

Review: 105 refs.
ChemInform Abstract: Structural Diversity and Photoluminescence of Copper(I) Carboxylates: From Discrete Complexes to Infinite Metal‐Based Wires and Helices
Authors: Hietsoi Oleksandr , Filatov Alexander S. , Dubceac Cristina , Petrukhina Marina A.
Published: November 2015

Review: 86 refs.
ChemInform Abstract: Supramolecular Self‐Assembly of Nucleotide‐Metal Coordination Complexes: From Simple Molecules to Nanomaterials
Authors: Zhou Pei , Shi Rufei , Yao Jian‐feng , Sheng Chuan‐fang , Li Hui
Published: November 2015

Review: 376 refs.
ChemInform Abstract: Coordination Polymers for Energy Transfer: Preparations, Properties, Sensing Applications, and Perspectives
Authors: Zhang Xuanjun , Wang Wenjing , Hu Zhangjun , Wang Guannan , Uvdal Kajsa
Published: November 2015

Review: 190 refs.
ChemInform Abstract: Design, Synthesis, and Study of Fluorinated Proteins
Authors: Buer Benjamin C. , Marsh E. Neil G.
Published: November 2015

Review: 90 refs.
ChemInform Abstract: Amino Acids and Peptides in Ball Milling
Authors: Metro Thomas‐Xavier , Colacino Evelina , Martinez Jean , Lamaty Frederic
Published: November 2015

Review: 51 refs.
ChemInform Abstract: Functionalized Corannulene Carbocations: A Structural Overview
Authors: Dubceac Cristina , Filatov Alexander S. , Zabula Alexander V. , Rogachev Andrey Yu. , Petrukhina Marina A.
Published: November 2015

Review: [46 refs.
ChemInform Abstract: Nonprecious Metals Catalyzing Hydroamination and C—N Coupling Reactions
Authors: Coman Simona M. , Parvulescu Vasile I.
Published: November 2015

Review: recent achievements; 278 refs.
ChemInform Abstract: Recent Advances in the C—H‐Functionalization of the Distal Positions in Pyridines and Quinolines
Authors: Stephens David E. , Larionov Oleg V.
Published: November 2015

Review: [127 refs.
ChemInform Abstract: Chemical Constituents of Plants from the Genus Eupatorium (1904—2014)
Authors: Liu Pei‐Yu , Liu Dan , Li Wei‐Huan , Zhao Ting , Sauriol Francoise , Gu Yu‐Cheng , Shi Qing‐Wen , Zhang Man‐Li
Published: November 2015

Review: 97 refs.
ChemInform Abstract: Homogeneous Gold‐Catalyzed Cyclization Reactions of Alkynes with N‐ and S‐Nucleophiles
Authors: Debrouwer Wouter , Heugebaert Thomas S. A. , Roman Bart I. , Stevens Christian V.
Published: November 2015

Review: 182 refs.
ChemInform Abstract: Recent Advances of α‐Isothiocyanato Compounds in the Catalytic Asymmetric Reaction
Authors: Han Wen‐Yong , Zhao Jian‐Qiang , Zuo Jian , Xu Xiao‐Ying , Zhang Xiao‐Mei , Yuan Wei‐Cheng
Published: November 2015

Review: [57 refs.
ChemInform Abstract: Flow Chemistry as a Versatile Tool for the Synthesis of Triazoles
Authors: Otvos Sandor B. , Fulop Ferenc
Published: November 2015

Review: 130 refs.
ChemInform Abstract: Real‐Time and In Situ Monitoring of Mechanochemical Reactions: A New Playground for All Chemists
Authors: Uzarevic Krunoslav , Halasz Ivan , Friscic Tomislav
Published: November 2015

Review: 84 refs.
ChemInform Abstract: Catalysis: Tens of Thousands of Atoms Replaced by One
Authors: Thomas John Meurig
Published: November 2015

Review: 20 refs.
ChemInform Abstract: Phenolic Pyrazoles: Versatile Polynucleating Ligands
Authors: Doidge Euan D. , Roebuck James W. , Healy Mary R. , Tasker Peter A.
Published: November 2015

Review: 43 refs.
ChemInform Abstract: Modified Nucleosides That Can Be Incorporated into DNA Enzymatically or in Live Cells
Authors: Wang Ke , Wang Danzhu , Wang Binghe
Published: November 2015

Review: 120 refs.
ChemInform Abstract: Biotransformation and Bioconversion of Phenolic Compounds Obtainment: An Overview
Authors: Junior Jose Valdo Madeira , Teixeira Camilo Barroso , Macedo Gabriela Alves
Published: November 2015

Review: 71 refs.
ChemInform Abstract: DNA Condensation Induced by Metal Complexes
Authors: Li Guan‐Ying , Guan Rui‐Lin , Ji Liang‐Nian , Chao Hui
Published: November 2015

Review: 145 refs.
ChemInform Abstract: Rapid Estimation of Beta‐Lactam Antibiotics in Biological Fluids
Authors: Joris Bernard , Degelaen Jacques , Klein Frank , Frere Jean‐Marie
Published: November 2015

Review: 12 refs.
Katalysatorvergleich bei der Hydroesterifizierung von 10‐Undecensäuremethylester in thermomorphen Lösungsmittelsystemen
Authors: Gaide Tom , Behr Arno , Terhorst Michael , Arns Alexander , Benski Francesco , Vorholt Andreas J.
Published: November 2015

Zwei homogene Palladium‐Katalysatoren zur Hydroesterifizierung des nachwachsenden Rohstoffs 10‐Undecensäuremethylester zum Monomer Dodecandisäuredimethylester werden verglichen. Die Katalysatoren wurden auf ihre Reaktionsraten in thermomorphen Lösungsmittelsystemen untersucht und die Reaktionsparameter optimiert. Anschließend wurde die Abtrennbarkeit der Katalysatoren vom Produkt untersucht und schließlich die Anwendbarkeit des Konzeptes der thermomorphen Lösungsmittelsysteme in dieser Reaktion durch Recyclingexperimente mit beiden Katalysatoren validiert.
Phase 1 dose escalation trial of the safety and pharmacokinetics of cabozantinib concurrent with temozolomide and radiotherapy or temozolomide after radiotherapy in newly diagnosed patients with high‐grade gliomas
Authors: Schiff David , Desjardins Annick , Cloughesy Timothy , Mikkelsen Thomas , Glantz Michael , Chamberlain Marc C. , Reardon David A. , Wen Patrick Y.
Published: November 2015

BACKGROUND

Cabozantinib inhibits mesenchymal‐epithelial transition factor (MET) and vascular endothelial growth factor receptor 2 (VEGFR2) and has demonstrated activity in patients with recurrent glioblastoma, warranting evaluation of the addition of cabozantinib to radiotherapy (RT) and temozolomide (TMZ) for patients with newly diagnosed high‐grade glioma.

METHODS

Cabozantinib doses of 40 mg and 60 mg were explored. Patients on the concurrent treatment arm received cabozantinib daily with standard TMZ and after RT continued cabozantinib daily with adjuvant TMZ. In the maintenance arm, patients who completed RT and ≥1 adjuvant cycle of TMZ continued adjuvant TMZ with added cabozantinib (3 schedules: days 1‐28, days 1‐14, or days 8‐21).

RESULTS

A total of 26 patients (25 with recurrent glioblastoma and 1 patient with anaplastic astrocytoma) aged 30 to 72 years were enrolled (10 to the concurrent arm and 16 to the maintenance arm). The median number of post‐RT TMZ cycles was 4.5 (range, 0‐14 cycles) in the concurrent arm and 5.5 (range, 1‐12 cycles) in the maintenance arm. Cabozantinib at a dose of 60 mg daily was the maximum administered dose and a dose of 40 mg daily was determined to be the maximum tolerated dose for both treatment arms (schedule of days 1‐28). The most frequent grade 3/4 adverse events were thrombocytopenia (31% of patients), leukopenia (27% of patients, including 5 patients with neutropenia), and deep vein thrombosis and/or pulmonary embolism (23% of patients) (adverse events were graded according to the National Cancer Institute Common Terminology Criteria for Adverse Events [version 3.0]).

CONCLUSIONS

Cabozantinib at a dose of 40 mg daily with RT plus TMZ and post‐RT TMZ for patients with newly diagnosed high‐grade glioma was generally well tolerated, and demonstrated no pharmacokinetic interactions with concurrent TMZ. Given the strong theoretical rationale for combining anti‐VEGF and anti‐MET activity with standard therapy, cabozantinib at a dose of 40 mg daily warrants evaluation in combination with standard therapy for patients with newly diagnosed glioblastoma. Cancer 2016;122:582–587. © 2015 American Cancer Society.
Dopamine D1 receptor expression is bipolar cell type‐specific in the mouse retina
Authors: Farshi Pershang , Fyk‐Kolodziej Bozena , Krolewski David M. , Walker Paul D. , Ichinose Tomomi
Published: November 2015

In the retina, dopamine is a key molecule for daytime vision. Dopamine is released by retinal dopaminergic amacrine cells and transmits signaling either by conventional synaptic or by volume transmission. By means of volume transmission, dopamine modulates all layers of retinal neurons; however, it is not well understood how dopamine modulates visual signaling pathways in bipolar cells. Here we analyzed Drd1a‐tdTomato BAC transgenic mice and found that the dopamine D1 receptor (D1R) is expressed in retinal bipolar cells in a type‐dependent manner. Strong tdTomato fluorescence was detected in the inner nuclear layer and localized to type 1, 3b, and 4 OFF bipolar cells and type 5‐2, XBC, 6, and 7 ON bipolar cells. In contrast, type 2, 3a, 5‐1, 9, and rod bipolar cells did not express Drd1a‐tdTomato. Other interneurons were also found to express tdTomato including horizontal cells and a subset (25%) of AII amacrine cells. Diverse visual processing pathways, such as color or motion‐coded pathways, are thought to be initiated in retinal bipolar cells. Our results indicate that dopamine sculpts bipolar cell performance in a type‐dependent manner to facilitate daytime vision. J. Comp. Neurol. 524:2059–2079, 2016. © 2015 Wiley Periodicals, Inc.
Switchable Surface Wettability by Using Boronic Ester Chemistry
Authors: Taleb Sabri , Noyer Elisabeth , Godeau Guilhem , Darmanin Thierry , Guittard Frédéric
Published: November 2015

Here, we report for the first time the use of a boronic ester as an efficient tool for reversible surface post‐functionalization. The boronic ester bond allows surfaces to be reversibly switched from hydrophilic to hydrophobic. Based on the well‐known boronic acid/glycol affinity, this strategy offers the opportunity to play with surface hydrophobic properties by adding various boronic acids onto substrates bearing glycol groups. The post‐functionalization can then be reversed to regenerate the starting glycol surface. This pathway allows for the preparation of various switchable surfaces for a large range of applications in biosensors, liquid transportation, and separation membranes.
The Nature of the Singlet and Triplet States of Cyclobutadiene as Revealed by Quantum Interference
Authors: Fantuzzi Felipe , Cardozo Thiago M. , Nascimento Marco A. C.
Published: November 2015

The generalized product function energy partitioning (GPF‐EP) method is applied to the description of the cyclobutadiene molecule. The GPF wave function was built to reproduce generalized valence bond (GVB) and spin‐coupled (SC) wave functions. The influence of quasiclassical and quantum interference contributions to each chemical bond of the system are analyzed along the automerization reaction coordinate for the lowest singlet and triplet states. The results show that the interference effect on the π space reduces the electronic energy of the singlet cyclobutadiene relative to the second‐order Jahn–Teller distortion, which takes the molecule from a D4h to a D2h structure. Our results also suggest that the π space of the 1B1g state of the square cyclobutadiene is composed of a weak four center–four electron bond, whereas the 3A2g state has a four center–two electron π bond. Finally, we also show that, although strain effects are nonnegligible, the thermodynamics of the main decomposition pathway of cyclobutadiene in the gas phase is dominated by the π space interference.
Competing Insertion and External Binding Motifs in Hydrated Neurotransmitters: Infrared Spectra of Protonated Phenylethylamine Monohydrate
Authors: Bouchet Aude , Schütz Markus , Dopfer Otto
Published: November 2015

Hydration has a drastic impact on the structure and function of flexible biomolecules, such as aromatic ethylamino neurotransmitters. The structure of monohydrated protonated phenylethylamine (H+PEA−H2O) is investigated by infrared photodissociation (IRPD) spectroscopy of cold cluster ions by using rare‐gas (Rg=Ne and Ar) tagging and dispersion‐corrected density functional theory calculations at the B3LYP‐D3/aug‐cc‐pVTZ level. Monohydration of this prototypical neurotransmitter gives an insight into the first step of the formation of its solvation shell, especially regarding the competition between intra‐ and intermolecular interactions. The spectra of Rg‐tagged H+PEA−H2O reveal the presence of a stable insertion structure in which the water molecule is located between the positively charged ammonium group and the phenyl ring of H+PEA, acting both as a hydrogen bond acceptor (NH+⋅⋅⋅O) and donor (OH⋅⋅⋅π). Two other nearly equivalent isomers, in which water is externally H bonded to one of the free NH groups, are also identified. The balance between insertion and external hydration strongly depends on temperature.
Probing Absolute Electronic Energy Levels in Hg‐Doped CdTe Semiconductor Nanocrystals by Electrochemistry and Density Functional Theory
Authors: Ingole Pravin P. , Lesnyak Vladimir , Tatikondewar Laxman , Leubner Susanne , Gaponik Nikolai , Kshirsagar Anjali , Eychmüller Alexander
Published: November 2015

The absolute electronic energy levels in Hg‐doped CdTe semiconductor nanocrystals (CdHgTe NCs) with varying sizes/volumes and Hg contents are determined by using cyclic voltammetry (CV) measurements and density functional theory (DFT) ‐based calculations. The electrochemical measurements demonstrate several distinct characteristic features in the form of oxidation and reduction peaks in the voltammograms, where the peak positions are dependent on the volume of CdHgTe NCs as well as on their composition. The estimated absolute electronic energy levels for three different volumes, namely 22, 119 and 187 nm3 with 2.7±0.3 % of Hg content, show strong volume dependence. The volume‐dependent shift in the characteristic reduction and oxidation peak potential scan can be attributed to the alteration in the energetic band positions owing to the quantum confinement effect. Moreover, the composition (Cd/Hg=98.3/1.7 and 97.0/3.0) ‐dependent alteration in the electronic energy levels of CdHgTe NCs for two different samples with similar volumes (ca. 124±5 nm3) are shown. Thus obtained electronic energy level values of CdHgTe NCs as a function of volume and composition demonstrate good congruence with the corresponding absorption and emission spectral data, as well as with DFT‐based calculations. DFT calculations reveal that incorporation of Hg into CdTe NCs mostly affects the energy levels of conduction band edge, whereas the valence band edge remains almost unaltered.
Ring‐Opening of Pyridines with Acyl­acetylenes and Water: Straightforward Access to 5‐[(Z)‐Acylethenyl]amino‐2,4‐pentadienals
Authors: Trofimov Boris A. , Andriyankova Ludmila V. , Belyaeva Kseniya V. , Nikitina Lina P. , Afonin Andrei V. , Mal'kina Anastasiya G.
Published: November 2015

Pyridines undergo exceptionally facile ring opening under the action of acylacetylenes (e.g., benzoylphenylacetylene, furoylphenylacetylene, and thenoylphenylacetylene) and water (r.t., with or without KOH) to afford 5‐[(Z)‐acylethenyl]amino‐2,4‐pentadienals in 84–92 % yield. The reaction is stereoselective: only the Z configuration for ethenyl substituents and preferentially (85–95 %) the E,E configuration for the 2,4‐pentadienal moiety were observed (the second configuration being E,Z). In the cases of 3‐methylpyridine and benzoylphenylacetylene, two regioisomers, namely, the corresponding 2‐methyl‐ and 4‐methylaminopentadienals, were formed in a 7:3 ratio.
Activation energy associated with the electromigration of oligosaccharides through viscosity modifier and polymeric additive containing background electrolytes
Authors: Kerékgyártó Márta , Járvás Gábor , Novák Levente , Guttman András
Published: November 2015

The activation energy related to the electromigration of oligosaccharides can be determined from their measured electrophoretic mobilities at different temperatures. The effects of a viscosity modifier (ethylene glycol) and a polymeric additive (linear polyacrylamide) on the electrophoretic mobility of linear sugar oligomers with α1–4 linked glucose units (maltooligosaccharides) were studied in CE using the activation energy concept. The electrophoretic separations of 8‐aminopyrene‐1,3,6‐trisulfonate‐labeled maltooligosaccharides were monitored by LIF detection in the temperature range of 20–50°C, using either 0–60% ethylene glycol (viscosity modifier) or 0–3% linear polyacrylamide (polymeric additive) containing BGEs. Activation energy curves were constructed based on the slopes of the Arrhenius plots. With the use of linear polyacrylamide additive, solute size‐dependent activation energy variations were found for the maltooligosaccharides with polymerization degrees below and above maltoheptaose (DP 7), probably due to molecular conformation changes and possible matrix interaction effects.
Deconvolution of high‐throughput multicomponent isotherms using multivariate data analysis of protein spectra
Authors: Baumann Pascal , Huuk Thiemo , Hahn Tobias , Osberghaus Anna , Hubbuch Juergen
Published: November 2015

Gaining a more profound understanding of biopharmaceutical downstream processes is a key demand of the Quality by Design (QbD) guidelines. One of the most dominant approaches to gain process understanding is the extensive use of experimental high‐throughput formats, such as batch chromatography on robotic liquid handling stations. Using these high‐throughput experimental formats, the generation of numerous samples poses an enormous problem to subsequent analytical techniques. Here, a high‐throughput case study for batch chromatographic multicomponent isotherms is presented. To debottleneck the subsequent analytics, a noninvasive technique using UV spectra and multivariate statistics was adapted to a batch chromatographic format. Using this approach, it was possible to integrate the entire analytical setup into the robotic workflow. As a case study, batch isotherms for sulfopropyl sepharose fast flow and the model proteins cytochrome c and lysozyme at various pH values and ionic strengths were recorded. A successful examination of the quality of the analytical procedure compared to classical single wavelength photometry was carried out. To address the growing demand for a more profound process understanding, the experimental data were fitted to the steric mass action isotherm, getting a more detailed insight into the competitive binding behavior at various pH values and ionic strengths.
Accelerating electrostatic interaction calculations with graphical processing units based on new developments of ewald method using non‐uniform fast fourier transform
Authors: Yang Sheng‐Chun , Wang Yong‐Lei , Jiao Gui‐Sheng , Qian Hu‐Jun , Lu Zhong‐Yuan
Published: November 2015

We present new algorithms to improve the performance of ENUF method (F. Hedman, A. Laaksonen, Chem. Phys. Lett. 425, 2006, 142) which is essentially Ewald summation using Non‐Uniform FFT (NFFT) technique. A NearDistance algorithm is developed to extensively reduce the neighbor list size in real‐space computation. In reciprocal‐space computation, a new algorithm is developed for NFFT for the evaluations of electrostatic interaction energies and forces. Both real‐space and reciprocal‐space computations are further accelerated by using graphical processing units (GPU) with CUDA technology. Especially, the use of CUNFFT (NFFT based on CUDA) very much reduces the reciprocal‐space computation. In order to reach the best performance of this method, we propose a procedure for the selection of optimal parameters with controlled accuracies. With the choice of suitable parameters, we show that our method is a good alternative to the standard Ewald method with the same computational precision but a dramatically higher computational efficiency. © 2015 Wiley Periodicals, Inc.
Synthesis of Dibenzothiazolyldibenzo‐18‐Crown‐6 and its Applications in Colorimetric Recognition of Palladium and as Antimicrobial Agent
Authors: Jagadale S. D. , Sawant A. D. , Deshmukh M. B.
Published: November 2015

Dibenzothiazolyldibenzo‐18‐crown‐6‐ether was designed and synthesized by formylation of dibenzo‐18‐crown‐6‐ether followed by condensation with 2‐aminothiophenol. A simple and rapid UV‐Visible spectrophotometric method is developed for detection of trace of palladium ions. Furthermore it was assessed for antimicrobial activity against bacterial strains Staphylococcus aureus (Gram+ve), Escherichia coli (Gram−ve) as well as fungal strains Aspergillus niger and Candida albicans respectively.
Synthesis and Biological Activity of 4‐[(Substituted Phenoxyacetoxy)methyl]‐2,6,7‐trioxa‐1‐phosphabicyclo[2.2.2]octane‐1‐one
Authors: Sheng Xijun , Zhou Yuan , Zhang Shasha , Peng Hao , He Hongwu
Published: November 2015

A series of novel 4‐[(substituted phenoxyacetoxy)methyl]‐2,6,7‐trioxa‐1‐phosphabicyclo[2.2.2]octane‐1‐one 4a, 4b, 4c, 4d, 4e, 4f, 4g, 4h, 4i, 4j, 4k, 4l, 4m, 4n, 4o were synthesized. Their structures were confirmed by IR, 1H NMR, mass spectroscopy, and elemental analyses. The results of preliminary bioassays show that some of the title compounds exhibit moderate to good herbicidal and fungicidal activities. For example, the title compounds 4b, 4c, 4f, 4h, 4i, and 4j possess 90–100% inhibition against the growth of roots of both rape and barnyard grass at 10 mg/L. Moreover, the title compounds 4f, 4g, and 4h possess 75–89% inhibition against Botrytis cinerea at the concentration of 50 mg/L.
Radiation‐induced temporo‐mandibular joint disorder in post‐radiotherapy nasopharyngeal carcinoma patients: assessment and treatment
Authors: Wu Vincent W. C. , Lam Ying‐Na
Published: November 2015

Nasopharyngeal carcinoma (NPC) is endemic in southern China, and its incidence in Hong Kong is relatively high. Radiotherapy is the mainstay treatment for NPC due to its relatively high radiosensitivity and deep‐seated anatomical position, which is not readily accessible by surgery. Although the technique of radiotherapy in NPC has been advancing and offers promising treatment outcome, complications around the irradiation areas are inevitable and the quality of life of the post‐radiotherapy patients is often compromised. Trismus, which is defined as the restricted mouth opening or jaw movement due to the disorder of temporo‐mandibular joint (TMJ), is one of the possible late complications for radiotherapy of NPC and is found in 5–17% of the post‐radiotherapy (post‐RT) patients. Trismus at early stage may only affect the speech, but in severe cases nutritional intake and oral hygiene condition may deteriorate seriously. This article reviewed the possible causes of radiation‐induced TMJ damage, the various assessments including imaging modalities and possible treatments. The conclusion is that the availability of simple, yet effective examinations for trismus is essential for delaying the progression and restoring TMJ functions. Although there is no absolutely effective treatment for trismus, many supportive, restorative and palliative management are possible under different clinical situations.
Influence of milk protein cross‐linking by transglutaminase on the rennet coagulation time and the gel properties
Authors: Domagała Jacek , Najgebauer‐Lejko Dorota , Wieteska‐Śliwa Ilona , Sady Marek , Wszołek Monika , Bonczar Genowefa , Filipczak‐Fiutak Magda
Published: November 2015

BACKGROUND

Transglutaminase (TGase) modifies milk proteins by cross‐linking of caseins, with increased cheese yield being the main technological benefit. In the present work the influence of TGase addition in different concentrations (0, 1, 2 and 3 U g−1 protein in the system) and under different incubation conditions (0 h, 40 °C/2 h, 25 °C/4 h and 5 °C/16 h) on the rennet coagulation time (RCT) and the comprehensive rennet gel properties were investigated.

RESULTS

Modification of milk proteins by TGase in a concentration‐dependent manner caused longer RCT and lower gel firmness. The highest TGase concentration and incubation at 40 °C for 2 h resulted in the longest RCT and the lowest gel firmness. Rennet gels obtained from TGase modified milk were characterised by significantly lower values of texture parameters, lower syneresis and were composed of smaller casein micelles, thinner chains and smaller clusters than those obtained from the control milk. The content of whey proteins in the gel from modified milk was higher and the content of individual casein fractions in the milk samples and rennet gels decreased upon TGase modification.

CONCLUSION

Rennet cheese with modified textural and nutritional properties and improved yield can be obtained upon TGase modification but simultaneous addition of rennet and TGase is recommended. © 2015 Society of Chemical Industry
An automated monitoring and control system for flow‐through co‐cycling hypoxia and pH experiments
Authors: Burrell Rebecca B. , Keppel Andrew G. , Clark Virginia M. , Breitburg Denise L.
Published: November 2015

Acidification research has exploded in recent years, however, experiments testing effects of co‐cycling hypoxia and pH on ecological and physiological processes are rare, despite the pervasiveness and potential importance of co‐varying fluctuations in these parameters. Co‐cycling dissolved oxygen (DO) and pH are difficult to precisely control, as gases used for manipulation influence both parameters. We successfully developed a LabVIEW™‐based system capable of monitoring and controlling co‐varying DO and pH in raw seawater flow‐through aquaria. Using feedback from Oxyguard DO probes and Honeywell ion sensitive field effect transistor Durafet pH sensors, our system controls ratios of nitrogen, oxygen, carbon dioxide, atmospheric air, and CO2‐stripped air within a total gas flow rate through mass flow controllers, to achieve target co‐cycling DO and pH values in five treatments. Our system performed well in two long‐term experiments investigating effects of diel‐cycling hypoxia and pH on eastern oyster (Crassostrea virginica) feeding, growth, fecundity, Perkinsus sp. (Dermo) infection dynamics and immune response. In our 2013 adult oyster experiment, the severe low DO treatment averaged only 0.04 mg L−1 higher than the 0.50 mg L−1 target, and the moderate hypoxia averaged only 0.05 mg L−1 higher than the 1.30 mg L−1 target over 48 d of cycles. Mean pH for the hypercapnia plateau was within 0.02 above the 7.00 target. In our 2013 spat experiment, daily minimum DO in the severe and moderate hypoxia treatments were both within 0.06 mg L−1 of the 0.50 and 1.3 mg L−1 targets, respectively; hypercapnia plateau pH values were within 0.01 of our 7.00 target.
Laser cellulite treatment and laser‐assisted lipoplasty of the thighs and buttocks: Combined modalities for single stage contouring of the lower body
Authors: Petti Christine , Stoneburner Jacqueline , McLaughlin Laura
Published: November 2015

Background and Objectives

Cellulite and lipodystrophy are often found together, especially in areas of the buttocks and thighs, causing skin surface irregularities. Each of these conditions is currently treated independently as two separate surgical procedures. In our practice, we developed a novel combined approach for the simultaneous treatment of cellulite and lipodystrophy, as a single stage procedure in the same anatomic area. For the treatment of cellulite, we used the Nd:YAG laser at a wavelength of 1,440‐nm, along with an innovative 1,000‐micron directional side‐firing fiber optic laser system. For the treatment of lipodystrophy, the Nd:YAG laser with a 1,440 nm wavelength, along with a fiber optic laser system was used. The objective of this study is to determine the efficacy and safety of a combined approach for the simultaneous treatment of cellulite and lipodystrophy.

Study Design, Patients and Methods

In 2012, 16 subjects with noticeable cellulite, Grade II and Grade III, accompanied by mild‐to‐moderate lipodystrophy of the lower body received single treatments of the Nd:YAG laser at a wavelength of 1,440‐nm along with the 1,000‐micron side‐firing fiber optic laser system for simultaneous treatments of both cellulite and lipodystrophy. Patients were assessed at baseline and 3–6 months post‐treatment by a modified Nurnberger–Muller scale utilized to quantify the cellulite severity. Additionally, patient satisfaction and a global aesthetic improvement scale were used to measure the improvement in lipodystrophy.

Results

Blinded reviewers identified the correct baseline photographs 97% of the time when presented with a set of photographs. The median modified Nurnberger–Muller scale score at baseline was 4.75 ± 1.2 and the average improvement was 2.0 ± 1.2. Global aesthetic improvement scores ranged from 1 to 3 with an average of 1.58 indicating a much‐improved overall appearance. Satisfaction was high for both physicians and patients with scores corresponding to extremely satisfied/satisfied.

Conclusion

Precise, effective delivery of laser energy to the dermal‐adipose tissue, as well as the deep adipose lipodystrophy is feasible as a safe modality for the simultaneous treatment of cellulite and lipodystrophy in the buttocks and thighs, as a single stage procedure. Lasers Surg. Med. 48:14–22, 2016. © 2015 Wiley Periodicals, Inc.
Polydiacetylene Nanotubes in Heterogeneous Catalysis: Application to the Gold‐Mediated Oxidation of Silanes
Authors: Villemin Elise , Gravel Edmond , Jawale Dhanaji V. , Prakash Praveen , Namboothiri Irishi N. N. , Doris Eric
Published: November 2015

A layer‐by‐layer approach is used to anchor small gold nanoparticles onto organic nanotubes resulting from the self‐assembly and polymerization of diacetylene‐containing nitrilotriacetic amphiphiles. The obtained nanotube–gold hybrid is used as a catalyst for the aerobic oxidation of various silanes. With minimal gold loading (0.05 mol%), all substrates are converted into the corresponding silanols with hydrogen gas as the only by‐product. The catalyst operates under mild conditions and can be easily recycled, losing neither activity nor selectivity.

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A novel model for resin infiltration in pin‐assisted pultrusion
Authors: Polychronopoulos Nickolas D. , Papathanasiou T. D.
Published: November 2015

Based on the results of a comprehensive numerical study of pin‐assisted pultrusion, we present a simple explicit model, which allows for the estimation of the infiltration depth as a function of measurable parameters. The numerical approach on which the infiltration model is based combines use of Stokes equation within the resin pool, Brinkman equation for flow inside the porous roving and a predictor‐corrector iterative scheme to determine the location of the advancing resin front inside the roving. As a result of each computation we obtain a value for the infiltration depth hf, which depends on process and material parameters, such as roving speed V, pin radius R, resin viscosity μ, and substrate permeability K. The results of hundreds of such calculations are analyzed in terms of a dimensionless number Λ = μVLoδ/KR and a master curve is obtained, according to which hf is a power function of Λ, namely, , where A, B, and C are known parameters, obtained from non‐linear data fitting. Following this, we extend the model to incorporate the tensioning force as well as present a procedure for its use in multiple‐pin arrangements. Finally, we present result of an extensive parametric analysis as well as comparisons with published experimental data; the agreement with the latter is very encouraging, the model being in all cases in semiquantitative agreement with experiment. POLYM. COMPOS., 38:2653–2662, 2017. © 2015 Society of Plastics Engineers
A complete TSDC description of molecular mobilities in polylactide/starch blends from local to normal modes: Effect of composition, moisture, and crystallinity
Authors: Laredo Estrella , Newman Dinorah , Pezzoli Romina , Müller Alejandro J. , Bello Alfredo
Published: November 2015

Thermally stimulated depolarization current is applied to study the dielectric relaxations coexisting from 80 to 380 K in the PLLA/starch, immiscible biodegradable blend system. The relaxation parameters are determined for chain mobilities at different ranges, whether in the amorphous or cold‐crystallized state for PLLA, and totally amorphous one for starch as demonstrated by wide‐angle X‐ray scattering experiments. The PLLA crystallization is favored by the presence of starch, in both the crystallinity degree reached and the crystallization time. The effect of moisture is followed for both the local modes and the segmental mobilities, where a bimodal relaxation for starch sweeps the temperature range, thus evidencing the heterogeneities existing in the starch disordered phase. The moisture plasticization effect is estimated and shows differences in the water absorption in starch either neat or as a minority component. The onset of the segmental mobility in PLLA is independent of composition or crystallinity, but the large intensity decrease observed when PLLA cold‐crystallizes evidences the simultaneous formation of a rigid amorphous fraction and the crystallites. The normal relaxation mode is recorded in amorphous PLLA whether neat or blended, which again demonstrates the absence of interactions among the blend components. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 680–691
Gas phase silanization for silicon nanowire sensors and other lab‐on‐a‐chip systems
Authors: Steinbach Annina M. , Sandner Tanja , Mizaikoff Boris , Strehle Steffen
Published: November 2015

Designing a microfabrication process for lab‐on‐a‐chip systems can at times be challenging, and the need to integrate a chemical surface modification reaction into this process can limit the options. Therefore, a robust set‐up and protocol for the gas phase modification has been developed that can be variably integrated into microfabrication processes. The main improvement compared to similar methods is, besides easy and versatile sample handling, the integration of a continuous argon flow percolating through the liquid organosilane, and impinging directly the surface tobe modified. This measure reduces the argon consumption drastically compared to current reaction schemes, while keeping short reaction periods.

Silicon substrates were modified using 3‐mercaptopropyltrimethoxysilane (MPTMS) and 3‐aminopropyltrimethoxysilane (APTMS), thoroughly studied for different reaction stages, and compared to surfaces modified via a common solvent‐based procedure from isopropanolic solution. Water contact angle measurements, infrared spectroscopy, X‐ray photoelectron spectroscopy, and atomic force microscopy verified the successful deposition of the alkylsilane. Additionally, silicon nanowires were assembled, exemplary for a lab‐on‐a‐chip system, in a liquid gate field‐effect‐transistor configuration, and electrically characterized. The devices showed the expected response to applied liquid gate potentials before and after the modification and exhibited characteristic changes in the transconductance curve. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Localization and the iterative ensemble Kalman smoother
Authors: Bocquet M.
Published: November 2015

The iterative ensemble Kalman smoother (IEnKS) is a data assimilation method meant for tracking the state of nonlinear geophysical models efficiently. It combines an ensemble of model states to estimate the errors similarly to the ensemble square‐root Kalman filter, with a four‐dimensional variational analysis performed within the ensemble space. As such, it belongs to the class of four‐dimensional ensemble variational methods. It could require the use of localization of the analysis when the state‐space dimension is high. However, its localization needs to be defined across time and to be as consistent as possible with the dynamical flow within the data assimilation window where the four‐dimensional variational analysis is performed. We show that a Liouville equation governs the time evolution of the localization operator, which is linked to the evolution of the error correlations. It is argued that the time evolution of the localization operator depends strongly on the forecast dynamics. Using either covariance localization or domain localization, we propose and test several localization strategies meant to address the issue: (i) a static and uniform localization, (ii) propagation through the window of a restricted set of dominant modes of the error covariance matrix and (iii) the approximate propagation of the localization operator using covariant local domains that are moved in accordance with the dynamical flow. These schemes are illustrated with the one‐dimensional Lorenz 40 variable model and with a two‐dimensional barotropic vorticity model. In both cases, local analysis based on the covariant local domains leads to a systematic improvement of the data assimilation performance.
An energy‐conserving restoration scheme for the shallow‐water equations
Authors: Kent James , Jablonowski Christiane , Thuburn John , Wood Nigel
Published: November 2015

The numerical methods that solve the governing equations in an atmospheric dynamical core are designed to dissipate potential enstrophy and prevent the build‐up of kinetic energy at the grid scale. A side‐effect of this is the dissipation of total energy which should be conserved. Energy fixers are used in climate models to replace the dissipated energy by modifying the temperature in the thermodynamic equation, and stochastic backscatter schemes have also been developed for use in weather prediction models. Here, we present the first steps towards designing a deterministic energy‐conserving restoration scheme that considers the conversion of kinetic energy to heat, replacing kinetic energy lost due to model error, and the backscatter of kinetic energy.

The energy‐conserving restoration scheme (ECRS) is presented in the context of the shallow‐water equations on the sphere. It is designed to be used with any existing shallow‐water equation scheme (called the preliminary scheme) which can adequately dissipate potential enstrophy, and in this article we use a semi‐implicit semi‐Lagrangian (SISL) scheme. For each prognostic variable, a spatial pattern is chosen; this is added to the preliminary scheme solution, and the amount added is calculated to ensure energy conservation. Results from short‐term test cases show that ECRS and SISL have very similar error norms. For long‐term simulations, ECRS conserves energy to a good approximation whereas SISL dissipates energy.
Improvement of a stochastic backscatter model and application to large‐eddy simulation of street canyon flow
Authors: O'Neill J. J. , Cai X.‐M. , Kinnersley R.
Published: November 2015

A stochastic backscatter (SB) subgrid‐scale (SGS) model is applied, for the first time, to large‐eddy simulation (LES) of street canyon flow. We model a ‘skimming flow’ regime under a neutrally stratified atmosphere, in which the approaching wind is perpendicular to the along‐street axis of a street canyon of unity aspect ratio. Previous LESs of this type have shown an under‐prediction of the intensity of the primary eddy (PE) that forms within the street canyon, indicating a lack of momentum transfer across the roof‐level shear layer. The SB model, however, acts to increase this momentum transfer, bringing the simulated PE intensity significantly closer towards that observed in a corresponding wind‐tunnel experiment. A metric for the PE intensity, ωPE, based on the two‐dimensional vorticity field, is increased from around 70% of the wind‐tunnel ωPE value (with the Smagorinsky SGS model) to as much as 90% (with the SB model). Calculation of the air exchange rate at roof‐level confirms that the rate of entrainment into the street canyon is increased with the inclusion of backscatter.

We also outline an improvement to the SB model prior to its application. In its previous version, a constraint on the magnitude of the backscatter acceleration variances ensured a theoretically appropriate level of additional grid‐scale (backscattered) energy. Here, a further constraint on the magnitude of the main covariance term also facilitates a better representation of grid‐scale vertical momentum flux. This new constraint alone can help to increase the simulated ωPE value by as much as 10% of the wind‐tunnel ωPE value, and requires almost no additional computational effort. The effect of varying the magnitude and length‐scale of the imposed backscatter (via the backscatter coefficient and length of the filter used to generate the backscatter acceleration fields, respectively) is also investigated.
Software processes for a changing world
Authors: Ryan Kevin T.
Published: November 2015

Three key drivers of change in the world of software are identified, and their impact on a range of software engineering research is assessed. The rise of agile approaches to software development adds further pressure for software process research to develop and evolve processes that are supportive of change while meeting the most stringent needs of society. Two examples of successful process evolution, aimed at highly regulated industries, are outlined as pointers to the future direction of Software Process Research. Copyright © 2015 John Wiley & Sons, Ltd.
A Changed Reality: The Role of the Eu and the Us in the Transformation of Ukraine and Russia
Authors: Kubilius Andrius
Published: November 2015

The historical causes of Russia's conflict with Europe have not been settled and continue to threaten the stability of the Old Continent. As the last empire of Europe, Russia is undergoing a painful transformation and disintegration, leading to aggressive foreign policy measures. Previous Western attempts to democratise Russia have proven fruitless. Bearing this unsuccessful experience in mind, it seems that the most plausible option to ensure Russia's further development as a European democracy is to make Ukraine an economic, political and social success story–-a role model for Russian society that will work as a catalyst for bottom-up democratic changes in the country. In order to help Russia transform in the long run, the West must first concentrate on helping Ukraine by providing the country with real military guarantees, sufficient economic support for the implementation of structural reforms and an adequate level of geopolitical engagement, including the prospect of EU membership.
Radiation Dose Survey for Common Computed Tomography Exams: 2013 British Columbia Results
Authors: Thakur Yogesh , Bjarnason Thorarin A. , Baxter Patricia , Griffith Mitch , Eaton Kirk
Published: November 2015

In 2013 Health Canada conducted a national survey of computed tomography (CT) radiation usage. We analysed contributions from all 7 public health authorities in the province of British Columbia, which covered scanner age, number of slices, and common adult protocols (≥19 years: 70 ± 20 kg, head, chest, abdomen/pelvis, and trunk). Patient doses were recorded for common protocols. Diagnostic reference levels (DRLs) was calculated using scanner data with >10 patient doses recorded for each protocol. Data was analysed based on image reconstruction (filtered backprojection vs iterative reconstruction [IR] vs IR available but not in use). Provincial response was 92%, with 59 of 64 CT data used for analysis. The average scanner age was 5.5 years old, with 39% of scanners installed between 2008-2013; 78.5% of scanners were multislice (>64 slices), and 44% of scanners had IR available. Overall British Columbia DRLs were: head = 1305, chest = 529, abdomen/pelvis = 819, and trunk = 1225. DRLs were consistent with Health Canada recommendations and other Canadian published values, but above international standards. For sites with IR available, less than 50% used this technology routinely for head, chest and trunk exams. Overall, use of IR reduced radiation usage between 11%-32% compared to filtered backprojection, while sites using IR vs IR available used 30%/43% less radiation for head/chest exams ( P < .05). No significant difference was observed for abdomen/pelvis exams ( P = .385). With the fast pace of CT technical advancement, DRLs should reflect the technology used, instead of just globally applied to anatomical regions. Federal guidelines should be updated at a higher frequency to reflect new technology. In addition, new technologies must be utilised to optimize image quality vs radiation usage.
Extracellular heat shock protein 70 promotes osteogenesis of human mesenchymal stem cells through activation of the ERK signaling pathway
Authors: Chen Erman , Xue Deting , Zhang Wei , Lin Feng , Pan Zhijun
Published: November 2015

Heat shock proteins have protective effects when cells are exposed to stress. However, the relationship between extracellular heat shock protein 70 (eHSP70) and osteogenesis of hMSCs has not been reported. The results of this study showed that HSP70 (200 ng/ml) increases alkaline phosphatase activity and promotes hMSC mineralization. Under osteogenic induction conditions, HSP70 significantly upregulated the expression of osteo‐specific genes, such as the runt family transcription factor Runx2 and osterix (OSX). Comparative expression profiling by microarray and pathway analyses revealed that HSP70 promotes osteogenesis of hMSCs through activation of the ERK signaling pathway. HSP70 may be a potential therapeutic agent for the treatment of bone nonunion.
A bacterial homologue of the human iron exporter ferroportin
Authors: Bonaccorsi di Patti Maria Carmela , Polticelli Fabio , Tortosa Valentina , Furbetta Pier Antonio , Musci Giovanni
Published: November 2015

A bacterial homologue of the human iron exporter ferroportin found in the predatory Gram‐negative bacterium Bdellovibrio bacteriovorus has been investigated. Molecular modelling, expression in recombinant form and iron binding and transport assays demonstrate that B. bacteriovorus ferroportin (bdFpn) is indeed an orthologue of human ferroportin. Key residues corresponding to those essential for iron binding and transport in human ferroportin are conserved in the bacterial homologue and are predicted to be correctly clustered in the central cavity of the protein. Mutation of these residues grossly affects the iron binding and transport ability of bdFpn.