bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Modern Concepts and Methods in the Chemistry of Polyhedral Metallasiloxanes
Authors: Levitsky Mikhail M. , Bilyachenko Alexey N.
Published: December 2015

Review: 167 refs.
ChemInform Abstract: Molecular Iron Complexes as Catalysts for Selective C—H Bond Oxygenation Reactions
Authors: Lindhorst A. C. , Haslinger S. , Kuehn Fritz E.
Published: December 2015

Review: 191 refs.
ChemInform Abstract: Topological Motifs in Cyanometallates: From Building Units to Three‐Periodic Frameworks
Authors: Alexandrov Eugeny V. , Virovets Alexander V. , Blatov Vladislav A. , Peresypkina Eugenia V.
Published: December 2015

Review: 314 refs.
ChemInform Abstract: The Insertion Reaction of Diazocarbonyl Compounds at C—H Bonds in the Synthesis of Biologically Active Nitrogen‐ and Oxygen‐Containing Heterocycles
Authors: Sultanova Rimma M. , Khanova Marina D. , Zlotskii Semen S.
Published: December 2015

Review: 53 refs.
ChemInform Abstract: Ball Milling for Heterocyclic Compounds Synthesis in Green Chemistry: A Review
Authors: Ould M'hamed Mohamed
Published: December 2015

Review: 44 refs.
ChemInform Abstract: Space Science Applications for Conducting Polymer Particles: Synthetic Mimics for Cosmic Dust and Micrometeorites
Authors: Fielding Lee A. , Hillier Jon K. , Burchell Mark J. , Armes Steven P.
Published: December 2015

Review: 118 refs.
ChemInform Abstract: Conformational Control of Cofactors in Nature — The Influence of Protein‐Induced Macrocycle Distortion on the Biological Function of Tetrapyrroles
Authors: Senge Mathias O. , MacGowan Stuart A. , O'Brien Jessica M.
Published: December 2015

Review: [284 refs.
ChemInform Abstract: Photochemistry Within a Water‐Soluble Organic Capsule
Authors: Ramamurthy Vaidhyanathan
Published: December 2015

Review: 50 refs.
ChemInform Abstract: New Pathways Towards Efficient Metallic Spin Hall Spintronics
Authors: Jungfleisch Matthias Benjamin , Zhang Wei , Jiang Wanjun , Hoffmann Axel
Published: December 2015

Review: 112 refs.
ChemInform Abstract: Cell‐Free Protein Synthesis: Pros and Cons of Prokaryotic and Eukaryotic Systems
Authors: Zemella Anne , Thoring Lena , Hoffmeister Christian , Kubick Stefan
Published: December 2015

Review: 177 refs.
ChemInform Abstract: CO2 and Ambient Air in Metal—Oxygen Batteries: Steps Towards Reality
Authors: Xu Shaomao , Lau Sampson , Archer Lynden A.
Published: December 2015

Review: 51 refs.
Recent Advances in Sensing Using Atropoisomeric Molecular Receptors
Authors: Pasini Dario , Nitti Andrea
Published: December 2015

We describe recent advances in chiroptical chemical sensors, in which the design and implementation is based upon the introduction of atropoisomerically chiral moiety within the molecular skeleton. This report include examples of acyclic, macrocyclic, and polymeric receptors that contain this motif. Although the main applications are in the enantioselective sensing of analytes, we report here some cases where the chiral receptors can in fact be used to senseachiral species. Using circular dichroism (CD) spectroscopy as the technique to detect a receptor–analyte interaction, we can distinguish two main sensor categories: that in which the CD signal of a stereolabile, CD‐silent probe is activated upon binding, and that in which the signal of a CD‐active probe is modulated upon binding. Particular emphasis will be given to cases in which CD spectroscopy is used orthogonally to other means of detection. Chirality 28:116–123, 2016. © 2015 Wiley Periodicals, Inc.
Edgeworth expansions for two‐stage sampling with applications to stratified and cluster sampling
Authors: Mirakhmedov Sherzod M. , Jammalamadaka Sreenivasa R. , Ekström Magnus
Published: December 2015

A two‐term Edgeworth expansion for the standardized version of the sample total in a two‐stage sampling design is derived. In particular, for the commonly used stratified and cluster sampling schemes, formal two‐term asymptotic expansions are obtained for theStudentizedversions of the sample total. These results are applied in conjunction with the bootstrap to construct more accurate confidence intervals for the unknown population total in such sampling schemes.The Canadian Journal of Statistics43: 578–599; 2015 © 2015 The Authors. The Canadian Journal of Statistics published by Wiley Periodicals, Inc. on behalf of Statistical Society of Canada
Working after a metastatic cancer diagnosis: Factors affecting employment in the metastatic setting from ECOG‐ACRIN's Symptom Outcomes and Practice Patterns study
Authors: Tevaarwerk Amye J. , Lee Ju‐Whei , Terhaar Abigail , Sesto Mary E. , Smith Mary Lou , Cleeland Charles S. , Fisch Michael J.
Published: December 2015

BACKGROUND

Improved survival for individuals with metastatic cancer accentuates the importance of employment for cancer survivors. A better understanding of how metastatic cancer affects employment is a necessary step toward the development of tools for assisting survivors in this important realm.

METHODS

The ECOG‐ACRIN Symptom Outcomes and Practice Patterns study was analyzed to investigate what factors were associated with the employment of 680 metastatic cancer patients. Univariate and multivariate logistic regression analyses were conducted to compare patients stably working with patients no longer working.

RESULTS

There were 668 metastatic working‐age participants in the analysis: 236 (35%) worked full‐ or part‐time, whereas 302 (45%) had stopped working because of illness. Overall, 58% reported some change in employment due to illness. A better performance status and non‐Hispanic white ethnicity/race were significantly associated with continuing to work despite a metastatic cancer diagnosis in the multivariate analysis. The disease type, time since metastatic diagnosis, number of metastatic sites, location of metastatic disease, and treatment status had no significant impact. Among the potentially modifiable factors, receiving hormonal treatment (if a viable option) and decreasing symptom interference were associated with continuing to work.

CONCLUSIONS

A significant percentage of the metastatic patients remained employed; increased symptom burden was associated with a change to no longer working. Modifiable factors resulting in work interference should be minimized so that patients with metastatic disease may continue working if this is desired. Improvements in symptom control and strategies developed to help address workplace difficulties have promise for improving this aspect of survivorship. Cancer 2016;122:438–446. © 2015 American Cancer Society.
Young investigator challenge: Comparison of 2 different methods of manual slide screening in semiautomated gynecologic cytology
Authors: Vaickus Louis J. , Wilbur David C. , Sweeney Brenda J. , Renshaw Andrew A.
Published: December 2015

BACKGROUND

Negative gynecologic cytology cases (ie, those diagnosed as negative for intraepithelial lesion or malignancy) are manually reviewed by 2 methods using semiautomated screening: 1) immediate full slide review (FSR) after fields‐of‐view analysis (FOV) (FOV + FSR), and 2) quality‐assurance/high‐risk, quintile‐directed full manual review (FMR). Data supporting current guidelines were limited. The authors investigated FMR, FOV + FSR, and the review process in general.

METHODS

Gynecologic cytology cases from 2009 to 2014 at Massachusetts General Hospital were analyzed. The data comprised 93,169 patients, 194,656 specimens, and 49,979 human papillomavirus (HPV) tests.

RESULTS

In patients who underwent FMR, the epithelial cell abnormality (ECA) rate was correlated with the HPV‐positive rate (correlation coefficient [r2] = 0.82; Y = 0.19X + 0.02), and both rates decreased with age. For patients who underwent FOV + FSR, the ECA rate was also related to the HPV‐positive rate (r2 = 0.86; Y = 0.39X + 0.11), and both rates decreased with age. The FMR group had similar HPV‐positive rates compared to the FOV + FSR group (2%‐52% vs 9%‐68%, respectively). HPV‐positive patients had a higher risk of ECA than HPV‐negative patients (40% vs 8%; P < .0001). Currently, manual review allocates resources inefficiently, to older, HPV‐negative patients as compared to younger, HPV‐positive patients. Additionally, too many patients who have HPV‐positive specimens with ECA proceed from primary screening to FMR. This imbalance can be observed in the slope of the line comparing the FMR ECA rate with the HPV‐positive rate (which might serve as a surrogate marker for adequacy of FOV + FSR screening). Therefore, laboratories should try to reduce the number of HPV‐positive cases that reach FMR.

CONCLUSIONS

Current review procedures devote too few resources to younger patients. FMR should be assigned according to HPV status and age. The slope of the line comparing the FMR ECA rate with the FMR HPV‐positive rate might be a useful surrogate marker of screening accuracy. Cancer (Cancer Cytopathol) 2015;123:650–658. © 2015 American Cancer Society.
The Association among Childhood Trauma, Pathological Dissociation and Gambling Severity in Casino Gamblers
Authors: Imperatori Claudio , Innamorati Marco , Bersani Francesco Saverio , Imbimbo Francesca , Pompili Maurizio , Contardi Anna , Farina Benedetto
Published: December 2015

The aim of the present study was to explore the role of pathological dissociation in mediating the association between childhood trauma (CT) and gambling severity. One hundred seventy‐one (134 men and 37 women) gamblers recruited in gambling environments (i.e., two Italian casinos) have been enrolled in the study. Psychopathological assessments included the Childhood Trauma Questionnaire (CTQ), the Dissociative Experiences Scale‐Taxon (DES‐T), the South Oaks Gambling Screen (SOGS), the CAGE and the Hospital Anxiety and Depression Scale. A mediational model, analyzing the direct and indirect effects of CTQ on SOGS through the mediating role of DES‐T, showed that the relation between CTQ and SOGS was fully mediated by DES‐T scores (b = 0.07; se = 0.15; p < 0.001). This finding raises the possibility that CT explains gambling severity through the presence of pathological dissociative symptoms and dissociative pathogenetic processes. Copyright © 2015 John Wiley & Sons, Ltd.

Key Practitioner Message

Gambling severity is associated with both childhood trauma and pathological dissociation in casino gamblers.

A mediational model shows that the effect of childhood trauma on gambling severity is entirely mediated by pathological dissociation.

From a clinical point of view, our results highlight the importance of assessing, and possibly treating, dissociative symptoms in individuals with gambling disorder.
The connection Between Plasma Protein Binding and Acute Toxicity as Determined by the LD50 Value
Authors: Svennebring Andreas
Published: December 2015

Preclinical Research

A dataset of three drug classes (acids, bases, and neutrals) with LD50 values in mice was analysed to investigate a possible connection between high plasma protein binding and acute toxicity. Initially, it was found that high plasma protein binding was associated with toxicity for acids and neutrals, but after compensating for differences in lipophilicity, plasma protein binding was found not to be associated with toxicity. The therapeutic index established by the quotient between mouse LD50 and the defined daily dose was unaffected by both lipophilicity and plasma protein binding. Drug Dev Res 77 : 3–11, 2016. © 2015 Wiley Periodicals, Inc.
Hot topics on diabetes in China
Authors: Weng Jianping , Pozzilli Paolo
Published: December 2015

China is the country with the largest burden of diabetes worldwide. Action is now taking place at different levels by the Chinese Diabetes Society, which has a major role in coordinating multi‐level activities across the country. These include, among others, the implementation of local guidelines for therapy, campaigns for education, trials for type 2 diabetes prevention and the establishment of extensive international collaborations in basic as well as clinical research. In this Special Issue, we briefly report on such initiatives, among which is a scientifically sound approach to exploring Chinese traditional medicine as a therapeutic option for diabetes treatment. Copyright © 2015 John Wiley & Sons, Ltd.
Detection of erythropoietin misuse by the Athlete Biological Passport combined with reticulocyte percentage
Authors: Bejder Jacob , Aachmann‐Andersen Niels Jacob , Bonne Thomas Christian , Olsen Niels Vidiendal , Nordsborg Nikolai Baastrup
Published: December 2015

The sensitivity of the adaptive model of the Athlete Biological Passport (ABP) and reticulocyte percentage (ret%) in detection of recombinant human erythropoietin (rHuEPO) misuse was evaluated using both a long‐term normal dose and a brief high dose treatment regime. Sixteen subjects received either 65 IU rHuEPO × kg‐1 every second day for two weeks (normal‐dose), 390 IU rHuEPO × kg‐1 on three consecutive days (high‐dose), or frequent placebo treatment for 13 days in a randomized, placebo‐controlled, double‐blind crossover design. Blood variables were measured 4, 11, and 25 days following treatment initiation. The ABP based on haemoglobin concentration ([Hb]) and OFF‐hr score ([Hb] – 60 × √ret%) yielded atypical profiles following both normal‐dose and high‐dose treatment (0 %, 31 %, 13 % vs. 21 %, 33 %, 20 % at days 4, 11, and 25 after normal and high dose, respectively). Including ret% as a stand‐alone marker for atypical blood profiles increased (P < 0.05) the sensitivity of the adaptive model at day 11 to 63 % and 67 % for normal‐dose and high‐dose rHuEPO administration, respectively. In conclusion, ~30 % of subjects injecting a normal‐dose rHuEPO for two weeks or a high‐dose rHuEPO for three days will present an atypical ABP profile. Including ret% as a stand‐alone parameter improves the sensitivity two‐fold. Copyright © 2015 John Wiley & Sons, Ltd.
Chronic hypoxia down‐regulates tight junction protein ZO‐2 expression in children with cyanotic congenital heart defect
Authors: Jenkins Emma L. , Caputo Massimo , Angelini Gianni D. , Ghorbel Mohamed T.
Published: December 2015

Aims

Tight junction protein zonula occludens protein 2 (ZO‐2) is a member of the membrane‐associated guanylate kinases protein family known to be expressed at tight junctions of epithelial and endothelial cells and at adherens junctions (AJs) in cardiomyocytes. Little is known about ZO‐2 expression and function in the human heart. Here, we examined the hypothesis that chronic hypoxia down‐regulates ZO‐2 expression in human myocardium and cultured rat cardiomyocytes.

Methods and results

Patients with a diagnosis of cyanotic (n = 10) or acyanotic (n = 10) Tetralogy of Fallot undergoing surgical repair were used to examine ZO‐2 messenger RNA and protein expression by real time‐PCR, immunohistochemistry, and western blotting. A model of cultured rat cardiomyocytes was used to measure ZO‐2 and AJ proteins levels in response to hypoxia and to investigate ZO‐2 cellular localization. We showed that ZO‐2 is expressed in myocardial tissue in acyanotic and cyanotic children with congenital heart defects. ZO‐2 was specifically down‐regulated in cyanotic myocardium at both the messenger RNA and protein levels when compared with acyanotic patients. This specific down‐regulation can be mimicked in cultured rat cardiomyocytes by treating them with hypoxic conditions confirming that ZO‐2 gene down‐regulation is specifically due to cyanosis. Furthermore, in addition to its cytoplasmic expression, ZO‐2 showed nuclear expression in cultured rat cardiomyocytes suggesting potential role in transcription regulation.

Conclusions

Hypoxia down‐regulates ZO‐2 expression in both cyanotic patient's myocardium and cultured rat cardiomyocytes. This down‐regulation suggest an involvement of ZO‐2 in cardiac remodelling of AJs in cyanotic children and may explain the greater susceptibility of cyanotic patients to corrective heart surgery.
Selenium‐Substituted Phosphaalk­enes Obtained through 1,2‐Elimination of Chlorosilanes from Selenen­ylchlorophosphines
Authors: Sasamori Takahiro , Villalba Franco José Manuel , Guo Jing‐Dong , Sugamata Koh , Nagase Shigeru , Streubel Rainer , Tokitoh Norihiro
Published: December 2015

Stable selenenyl‐chlorophosphines, bearing a silylalkyl group, were synthesized. Subsequent treatment with Lewis acids such as AlCl3 afforded the corresponding phosphaalkenes. A reaction mechanism that proceeds through an intramolecular 1,2‐elimination of chlorosilane was proposed.
Ni5.73InSe2– a Metal‐Rich Selenide Based on the Cu3Au‐Type 2D Het­erometallic Framework: Synthesis, Structure, and Bonding
Authors: Kuznetsov Alexey N. , Serov Alexey A.
Published: December 2015

A new metal‐rich nickel–indium selenide, Ni5.73InSe2, was synthesized by annealing a mixture of the elements with a 6:1:2 ratio at 650 °C for 7 days with subsequent cooling to room temperature. Its crystal structure was determined from single‐crystal diffraction data, and the composition confirmed by an EDS analysis. The compound crystallizes in the tetragonal system [I4/mmm,a= 3.6797(5) Å,c= 18.845(4) Å,Z= 2] and is isotypic with the Ni7–xMQ2phases (M = Si, Ge, Sn, Sb; Q = S, Se, Te). Its main structural units are indium‐centered [Ni12In] cuboctahedra of the Cu3Au type and [Ni4–xSe2] blocks of the Cu2Sb type, alternating along thecaxis. Electronic structure calculations on the DFT/FP‐LAPW level predict metallic properties and indicate a temperature‐independent paramagnetic behavior for the new compound, which is supported by the experimental measurements. The ELI‐D topological analysis shows the multi‐centered nature of the bonding in both the nickel–indium and nickel–selenium fragments. Ni5.73InSe2represents the first example of a quasi‐2D mixed nickel–group 13 metal chalcogenide featuring [Ni12M] cuboctahedra of the Cu3Au type.
Geochemical consequences in shallow aquifers from the long‐term presence of CO2 in a natural field: The case of Florina Basin, W. Macedonia, Greece
Authors: Gemeni Vasiliki , Vasilatos Charalampos , Koukouzas Nikolaos , Kanellopoulos Christos
Published: December 2015

Natural CO2 fields can be used to identify trapping mechanisms, the fate and the geochemical consequences of geologically stored CO2 in shallow aquifers. The Florina Basin in Greece is regarded as a CO2 naturally leaking analog due to millions of years of gas accumulation in a Tertiary sand formation. This research was conducted in order to identify the CO2 fingerprints and to investigate and evaluate the factors controlling the groundwater quality in the basin. Leaking CO2 is observed in the aquifers and at the surface. The basin is filled with clastic sediments. It can provide information regarding the fate of CO2 and the possible impacts that can be used as reference in demonstration and industrial projects. Water sampling campaigns were conducted to determine the impact of the gas‐water long‐term interactions in the shallow aquifers. The CO2 has increased the concentration (in relation to other water samples from the basin) of certain elements like Fe, Mn, Na, Cl, and Br but only in few cases exceeds the EU drinking limit. The chemistry of the groundwater in the Florina Basin aquifers was found to be controlled mainly by the CO2‐water‐rock interactions due to the mineralogy of the aquifers (calcite and silicates including pyroxenes and chlorite). Metal attenuation processes have prevented the aquifers from brine contamination. Considering the Florina Basin is a natural analog for studying the leaking and migration pathways of stored CO2 and that only minor affects have been identified in the groundwater chemistry, the conclusions of this research are promising for the possible usage of a basin of similar geology and lithology for deep CO2 storage. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
Artifact removal in the context of group ICA: A comparison of single‐subject and group approaches
Authors: Du Yuhui , Allen Elena A. , He Hao , Sui Jing , Wu Lei , Calhoun Vince D.
Published: December 2015

Independent component analysis (ICA) has been widely applied to identify intrinsic brain networks from fMRI data. Group ICA computes group‐level components from all data and subsequently estimates individual‐level components to recapture intersubject variability. However, the best approach to handle artifacts, which may vary widely among subjects, is not yet clear. In this work, we study and compare two ICA approaches for artifacts removal. One approach, recommended in recent work by the Human Connectome Project, first performs ICA on individual subject data to remove artifacts, and then applies a group ICA on the cleaned data from all subjects. We refer to this approach as Individual ICA based artifacts Removal Plus Group ICA (IRPG). A second proposed approach, called Group Information Guided ICA (GIG‐ICA), performs ICA on group data, then removes the group‐level artifact components, and finally performs subject‐specific ICAs using the group‐level non‐artifact components as spatial references. We used simulations to evaluate the two approaches with respect to the effects of data quality, data quantity, variable number of sources among subjects, and spatially unique artifacts. Resting‐state test–retest datasets were also employed to investigate the reliability of functional networks. Results from simulations demonstrate GIG‐ICA has greater performance compared with IRPG, even in the case when single‐subject artifacts removal is perfect and when individual subjects have spatially unique artifacts. Experiments using test–retest data suggest that GIG‐ICA provides more reliable functional networks. Based on high estimation accuracy, ease of implementation, and high reliability of functional networks, we find GIG‐ICA to be a promising approach. Hum Brain Mapp 37:1005–1025, 2016. © 2015 Wiley Periodicals, Inc.
Enhanced brain signal variability in children with autism spectrum disorder during early childhood
Authors: Takahashi Tetsuya , Yoshimura Yuko , Hiraishi Hirotoshi , Hasegawa Chiaki , Munesue Toshio , Higashida Haruhiro , Minabe Yoshio , Kikuchi Mitsuru
Published: December 2015

Extensive evidence shows that a core neurobiological mechanism of autism spectrum disorder (ASD) involves aberrant neural connectivity. Recent advances in the investigation of brain signal variability have yielded important information about neural network mechanisms. That information has been applied fruitfully to the assessment of aging and mental disorders. Multiscale entropy (MSE) analysis can characterize the complexity inherent in brain signal dynamics over multiple temporal scales in the dynamics of neural networks. For this investigation, we sought to characterize the magnetoencephalography (MEG) signal variability during free watching of videos without sound using MSE in 43 children with ASD and 72 typically developing controls (TD), emphasizing early childhood to older childhood: a critical period of neural network maturation. Results revealed an age‐related increase of brain signal variability in a specific timescale in TD children, whereas atypical age‐related alteration was observed in the ASD group. Additionally, enhanced brain signal variability was observed in children with ASD, and was confirmed particularly for younger children. In the ASD group, symptom severity was associated region‐specifically and timescale‐specifically with reduced brain signal variability. These results agree well with a recently reported theory of increased brain signal variability during development and aberrant neural connectivity in ASD, especially during early childhood. Results of this study suggest that MSE analytic method might serve as a useful approach for characterizing neurophysiological mechanisms of typical‐developing and its alterations in ASD through the detection of MEG signal variability at multiple timescales. Hum Brain Mapp 37:1038–1050, 2016. © 2015 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc.
NaHCO3‐Catalyzed Hihgly Regiospecific Aminobromination of ß,ß‐Dicyanostyrene Derivatives with 1,3‐Dibromo‐5,5‐dimethylhydantoin (DBDMH)
Authors: Chen Zhanguo , Xia Wei , Liu De'e , Liu Yali , Du Manfei , Cao Chenxi
Published: December 2015

The aminobromination of β,β‐dicyanostyrene derivetives with 1,3‐dibromo‐5,5‐dimethylhydantoin (DBDMH) has been systematic studied. The reaction afforded the vicinal haloamino products in good to excellent yields at room temperature (the highest yield was up to 94 %), and the full regiospecificity of all products were achieved catalyzed by NaHCO3 in CH3CN. A possible pathway involving a Michael Addition reaction for this aminobromination was proposed.
Myocardial dysfunction in patients with aortic stenosis and hypertensive heart disease assessed by MR tissue phase mapping
Authors: von Knobelsdorff‐Brenkenhoff Florian , Hennig Pierre , Menza Marius , Dieringer Matthias A. , Foell Daniela , Jung Bernd , Schulz‐Menger Jeanette
Published: December 2015

Purpose

To identify abnormalities of myocardial velocities in patients with left ventricular pressure overload using magnetic resonance tissue phase mapping (TPM).

Material and Methods

Thirty‐three patients (nine with hypertensive heart disease [HYP], 24 with aortic stenosis [AS]) and 41 healthy controls were enrolled. To assess left ventricular motion, a basal, midventricular, and apical slice were acquired using three‐directional velocity‐encoded phase‐contrast MR with a 3T system. Target parameters were peak longitudinal (Vz) and radial (Vr) velocity in systole and diastole (Peaksys, Peakdias). Analysis was done on each myocardial segment. In a subgroup (n = 7 HYP, n = 12 AS, n = 24 controls), measurement was repeated during handgrip exercise.

Results

AS had significantly lower Vz‐Peaksys in the inferolateral and inferoseptal wall (P = 0.003–0.029) and Vr‐Peaksys in the septum and anterior wall (P = 0.001–0.013) than controls. Vz‐Peakdias and Vr‐Peakdias were lower in AS than in controls in almost all segments (P < 0.001–0.028). HYP showed reduced Vz‐Peakdias compared to controls in all basal segments as well as in the lateral midventricular wall (P < 0.001–0.045), and reduced Vr‐Peakdias compared to controls predominantly in the midventricular and apical segments (P = 0.004–0.042). AS patients with focal fibrosis had significantly reduced myocardial velocities (P = 0.001–0.047) in segments without late enhancement. During exercise, Vz‐Peaksys, Vr‐Peaksys, and Vz‐Peakdias remained unchanged in AS and HYP, but decreased in the lateral wall in controls (P < 0.001–0.043).

Conclusion

Even with preserved left ventricle (LV) ejection fraction, peak longitudinal and radial velocities of the LV are reduced in AS and HYP, indicating early functional impairment. J. Magn. Reson. Imaging 2016;44:168–177.
Solvation of AgTFSI in 1‐ethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid investigated by vibrational spectroscopy and DFT calculations
Authors: Liu Tomin , Danten Yann , Grondin Joseph , Vilar Rui
Published: December 2015

In this paper we investigate the solvation of silver bis(trifluoromethylsulfonyl)imide salt (AgTFSI) in 1‐ethyl‐3‐methylimidazolium TFSI [EMI][TFSI] ionic liquid by combining Raman and infrared (IR) spectroscopies with density functional theory (DFT) calculations. The IR and Raman spectra were measured in the 200–4000 cm−1 spectral region for AgTFSI/[EMI][TFSI] solutions with different concentrations ([AgTFSI] <0.2 mole fraction). The analysis of the spectra shows that the spectral features observed by dissolution of AgTFSI in [EMI][TFSI] solution originate from interactions between the Ag+ cation and the first neighboring TFSI anions to form relatively stable Ag complexes. The ‘gas phase’ interaction energy of a type [Ag(TFSI)3]2− complex was evaluated by DFT calculations and compared with other interionic interaction energy contributions. The predicted spectral signatures because of the [Ag(TFSI)3]2− complex were assessed in order to interpret the main IR and Raman spectral features observed. The formation of such complexes leads to the appearance of new interaction‐induced bands situated at 753 cm−1 in Raman and at 1015 and 1371 cm−1 in IR, respectively. These specific spectral signatures are associated with the ‘breathing’ mode and the S–N–S and S–O stretching modes of the TFSI anions engaged in the complex. Finally, all these findings are discussed in terms of interaction mechanisms enabling the electrodeposition characteristics of silver from AgTFSI/[EMI][TFSI] IL‐based electrolytic solutions. Copyright © 2015 John Wiley & Sons, Ltd.
Correlation between remnant inferior turbinate volume and symptom severity of empty nose syndrome
Authors: Hong Hye Ran , Jang Yong Ju
Published: December 2015

Objectives/Hypothesis

Empty nose syndrome (ENS) is an iatrogenic disorder caused by turbinate reduction procedures, which results in considerable nasal dysfunction and severely impaired quality of life. However, there is a lack of data that explains the relationship between the degree of turbinate reduction and subjective symptoms. The aim of this study was to evaluate the effects of remnant inferior turbinate volume on symptom severity.

Study Design

We retrospectively analyzed data from 34 patients who were diagnosed with ENS.

Methods

All patients underwent computed tomography scanning and completed the SNOT‐25 questionnaire. The control group consisted of 10 patients with pituitary adenoma who did not have any sinonasal symptoms or abnormalities. The inferior turbinate volumes were compared between groups, and the correlation between inferior turbinate volumes (ITVs) and Sino‐Nasal Outcome Test‐25 (SNOT‐25) was also evaluated.

Results

The ENS group presented with a significantly smaller inferior turbinate volume than the control group (P < 0.001). The overall SNOT‐25 score demonstrated no statistically significant correlation with anterior, posterior, or total ITV (P > 0.05, respectively). Among the various items on SNOT‐25, a high dryness score was significantly correlated with a smaller total inferior turbinate volume (P = 0.030). Facial pain was significantly correlated with smaller anterior ITV (P = 0.011). In addition, patients who had smaller posterior inferior turbinate volume demonstrated higher scores on specific SNOT‐25 items.

Conclusion

A smaller inferior turbinate volume is significantly associated with specific SNOT‐25 items in ENS patients.

Level of Evidence

4. Laryngoscope, 126:1290–1295, 2016
Selective Uptake of a Fructose Glycopolymer Prepared by RAFT Polymerization into Human Breast Cancer Cells
Authors: von der Ehe Christian , Rinkenauer Alexandra , Weber Christine , Szamosvari David , Gottschaldt Michael , Schubert Ulrich S.
Published: December 2015

A new methacrylic fructose glycomonomer is synthesized and copolymerized with N‐isopropyl acrylamide by reversible addition fragmentation chain transfer (RAFT) poly­merization. By additional copolymerization of the analog mannose, glucose, and galactose glycomonomers, a set of glycopolymers is obtained which vary in the type of sugar attached to the polyacrylamide backbone. The glycopolymers are subsequently deprotected and characterized by size exclusion chromatography, FT‐IR and NMR spectroscopy, elemental analysis, as well as turbidimetry, revealing the thermoresponsive character of all synthesized glycopolymers. The deprotected glycopolymers are subsequently labeled with a Rhodamine B derivative, utilizing the thiol‐functionalities derived from the RAFT endgroups. As concluded from the ArlamaBlue assay, the glycopolymers are not cytotoxic. Finally, cellular uptake studies reveal a higher uptake of the fructose polymer into MDA‑MB‑231 breast cancer cells compared to the other glycopolymers, which demonstrates the high potential of fructosylated polymers for potential applications in the targeted treatment of breast cancer.

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Methotrexate Complexation with Native and PEGylated PAMAM‐G4: Effect of the PEGylation Degree on the Drug Loading Capacity and Release Kinetics
Authors: Barraza Luis F. , Jiménez Verónica A. , Alderete Joel B.
Published: December 2015

Native and PEGylated poly‐amidoamine‐G4 (PAMAM‐G4) dendrimers with PEGylation degrees of 0%, 28%, 34%, 67%, and 100% are evaluated as potential drug carriers for methotrexate (MTX). A maximum complex stoichiometry of 47:1 is obtained for the system with 34% of PEGylation, with an estimated binding constant of 1.2 × 104 mol−1 per binding site, as derived from aqueous solubility profiles. 2D‐NOESY experiments reveal a preferential complexation of MTX within PAMAM‐G4 branches, suggesting that high PEGylation ratios restrict drug diffusion toward innermost PAMAM cavities. On the other hand, high PEGylation degrees considerably decrease the rate of MTX release, which can be attributed to a reduced dendrimer swelling due to surface polyethylene glycol crowding. All release profiles follow first‐order kinetics, suggesting a diffusion‐controlled mechanism for MTX release. These results can be helpful to understand the molecular basis underlying the complexation and release of MTX with PEGylated PAMAM dendrimers aimed at designing more efficient drug delivery systems.

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Semiquantitative FTIR Analysis of the Crosslinking Density of Poly(ester amide)‐Based Thermoset Elastomers
Authors: Xue Yingfei , Patel Akhil , Sant Vinayak , Sant Shilpa
Published: December 2015

Thermoset elastomers represent a class of polymers for a wide range of biomedical applications. Crosslinking density of thermoset elastomers is considered as an important parameter. In this study, semiquantitative Fourier transform infrared (FTIR) analysis is developed as a novel method to determine crosslinking density of poly (ester amide) thermoset elastomers. Poly(1,3‐diamino‐2‐hydroxypropane‐co‐polyol sebacate) (APS) is an example of poly(ester amide) thermoset elastomer. Polyethylene glycol (PEG) has been recently incorporated into APS polymer structure to obtain novel PEGylated APS‐based elastomers with tunable properties. The crosslinking densities of different APS and APS‐co‐PEG films are determined by the theory of rubber elasticity and FTIR. These results show that the intensity ratios between amide and carbonyl peak correlate well with the calculated crosslinking density from the elastic modulus. Thus, semiquantitative FTIR analysis offers a direct, facile, and less variable method to determine the crosslinking density and guide the consistent synthesis of poly(ester amide) thermoset elastomers.

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Plasma‐Polymerized Membranes with High Proton Conductivity for a Micro Semi‐Passive Direct Methanol Fuel Cell
Authors: Jiang Zhongqing , Jiang Zhong‐Jie
Published: December 2015

A proton exchange membrane has been synthesized by a pulsed plasma discharge technique using styrene, trifluoromethane sulfonic acid, and benzenesulfonyl fluoride as the monomers. It shows that the presence of benzenesulfonyl fluoride could reduce the degree of the fragmentation of the monomers by plasma discharge and the ablation of polymers or membranes by acid groups. The fabricated membrane is reported to have a high percentage of sulfonic acid groups and exhibits higher ion exchange capacity, water uptake, and proton conductivity and lower activation barrier for proton conduction and methanol permeability in comparison to the membranes synthesized with only using styrene and trifluoromethane sulfonic acid as the monomers and the commercial Nafion 117. The electrochemical results show that the micro semi‐passive direct methanol fuel cells (μsp‐DMFCs) assembled with the fabricated membrane can exhibit higher electrochemical performance than those with Nafion 117 and the membrane synthesized with only using styrene and trifluoromethane sulfonic acid as the monomers. The stability measurement also shows that the electrochemical performance of the μsp‐DMFCs assembled with this membrane is more stable than that of the μsp‐DMFCs with Nafion 117. These results clearly demonstrate the great potential of using such membranes as the PEMs to improve electrochemical performance of fuel cells.
Structure‐guided design of a reversible fluorogenic reporter of protein‐protein interactions
Authors: To Tsz‐Leung , Zhang Qiang , Shu Xiaokun
Published: December 2015

A reversible green fluorogenic protein‐fragment complementation assay was developed based on the crystal structure of UnaG, a recently discovered fluorescent protein. In living mammalian cells, the nonfluorescent fragments complemented and rapidly became fluorescent upon rapamycin‐induced FKBP and Frb protein interaction, and lost fluorescence when the protein interaction was inhibited. This reversible fluorogenic reporter, named uPPI [UnaG‐based protein‐protein interaction (PPI) reporter], uses bilirubin (BR) as the chromophore and requires no exogenous cofactor. BR is an endogenous molecule in mammalian cells and is not fluorescent by itself. uPPI may have many potential applications in visualizing spatiotemporal dynamics of PPIs.
Binary and Tertiary Mixtures of Satureja hortensis and Origanum vulgare Essential Oils as Potent Antimicrobial Agents Against Helicobacter pylori
Authors: Lesjak Marija , Simin Natasa , Orcic Dejan , Franciskovic Marina , Knezevic Petar , Beara Ivana , Aleksic Verica , Svircev Emilija , Buzas Krisztina , Mimica‐Dukic Neda
Published: December 2015

Essential oils possess strong antimicrobial activity, even against multiresistant Helicobacter pylori. Available therapies against H. pylori infection have multiple disadvantages, indicating a great need for a development of new therapeutics. The purpose of this study was to develop a potent natural product based anti‐H. pylori formulation. First, anti‐H. pylori activity of nine essential oils was determined, after which the most active oils were mixed in various ratios for further testing. Satureja hortensis, Origanum vulgare subsp. vulgare and O. vulgare subsp. hirtum essential oils expressed the highest activity (MIC = 2 μL mL−1). Their binary and ternary mixtures exhibited notably higher antimicrobial activity (MIC ≤ 2 μL mL−1). The most active was the mixture of S. hortensis and O. vulgare subsp. hirtum oils in volume ratio 2:1, which expressed 4 times higher activity than individual oils (MIC = 0.5 μL mL−1). According to GC‐MS, both oils in the mixture were characterized by high content of phenols (48–73%), with carvacrol as the main carrier of antimicrobial activity. Presented in vitro study pointed out binary mixture of S. hortensis and O. vulgare subsp. hirtum essential oils in volume ratio 2:1 as promising candidate for further in vivo studies targeting H. pylori infection. Copyright © 2015 John Wiley & Sons, Ltd.
Enumeration and Evaluation of Small Orthogonal Latin Hypercube Designs for Polynomial Regression Models
Authors: Evangelaras Haralambos
Published: December 2015

In this paper, we construct and evaluate all nonisomorphic Latin hypercube designs with n≤16 runs, the use of which guarantee that the estimates of the first‐order effects are uncorrelated with each other and also uncorrelated with the estimates of the second‐order effects, in polynomial regression models. The produced designs are evaluated using well‐known and popular criteria, and optimal designs are presented in every case studied. An effort to construct nonisomorphic small Latin hypercubes in which only the estimates of the first‐order effects are required to be uncorrelated with each other has also been made, and new designs are presented. All the constructed designs, besides their stand‐alone properties, are useful for the construction of bigger orthogonal Latin hypercubes with desirable properties, using well‐known techniques proposed in the literature. Copyright © 2015 John Wiley & Sons, Ltd.
Reaction mechanism and Z‐selectivity for chelated Ru‐catalyzed AROCM of endic anhydride and propene: A DFT study
Authors: Zhu Bao‐Lin , Pang Xian‐Yong , Wang Gui‐Chang
Published: December 2015

Density functional theory calculations were performed to investigate the complete mechanism and selectivity for asymmetric ring opening cross‐metathesis of endic anhydride and propene through a chelated Ru catalyst with nitrato ligand. The preferred mechanism begins with the endic anhydride attacking the catalyst from the “side” position and forming a Ru four‐membered ring complex. Subsequently, the endic anhydride isomerizes with another four‐membered ring complex via the substituent groups rotating their locations. The ring then ruptures and leads to a Ru‐alkylidene complex. Afterward, propene reacts with the Ru‐alkylidene complex through a similar pathway, resulting in rapid a cycloaddition reaction, isomerization to undergo cycloreversion, and the release of (Z)‐ or (E)‐olefin homodimers. The overall preferred mechanism is in accordance with the mechanism of a previously reported chelated Ru catalyst containing a carboxylate ligand. The energy barrier of the transition state for cycloreversion differs by 2.72 kcal/mol from (Z)‐olefin to (E)‐olefin, indicating that the reaction has high Z‐selectivity, in accordance with experimental results. Moreover, cycloreversion is the rate‐determining step. The turnover frequency for selectivity is analyzed to determine the relationship between the theoretically computed catalytic cycle and its experimental counterpart. The activation strain was also analyzed to illustrate the mechanism from the point of quantum chemistry. All of the methods in this article were performed to explain the preference for Z‐olefin, which is attributed to a combination of the steric and electronic effects of the chelated catalyst. Finally, the catalyst is compared with the previously reported chelated Ru catalyst with a carboxylate ligand; results reveal that smaller nitrato sizes lead to higher selectivity efficiency of the catalyst. © 2015 Wiley Periodicals, Inc.
Efficient simulation of large materials clusters using the jaguar quantum chemistry program: Parallelization and wavefunction initialization
Authors: Zhang Jing , Weisman Andrew L. , Saitta Patrick , Friesner Richard A.
Published: December 2015

An outline of the improvements to the pseudospectral electronic structure program Jaguar is presented, showing efficient and robust performance of hybrid‐DFT calculations for large systems with thousands of basis functions, focusing on materials applications. The improvements include re‐engineered parallelization, the design of a fragment‐based initial guess generation method, and the validation of small eigenvalue cutoff values. An OpenMP/MPI hybrid parallelization has been implemented for the pseudospectral algorithm, which extends Jaguar's scalability to up to 256 cores in tests of TiO2 clusters with 1295‐4961 basis functions. In the largest test case, the code delivers 84.4× speedup for 128 cores in total calculation time. In addition, a fragment‐based initial guess method has been constructed for large systems containing many transition metals, where the conventional (atomic) approach often fails. Overall, Jaguar is now capable of efficiently and robustly performing hybrid‐DFT geometrical optimizations for large systems with more than 600 atoms in reasonable runtimes. © 2015 Wiley Periodicals, Inc.
Study the effect of SiC content on the wear behavior and mechanism of as‐extruded SiCp/Al–Cu–Mg–Zn alloy under simulating drilling operation
Authors: Wang Xiaohong , Guo Jun , Lin Yuanhua , Guo Xiaohua , Peng Jian , Zhou Xingyu
Published: December 2015

The Al–Cu–Mg–Zn alloys reinforced with 2.5 wt%, 4.5 wt% and 6.5 wt% SiC particles were prepared by the technology of vacuum casting, homogenization and hot extrusion. Hence, an extruded SiCp/Al–Cu–Mg–Zn with well‐distributed SiC particles was obtained for the research. The effect of SiC content on the wear behavior between SiCp/Al–Cu–Mg–Zn and P110 casing steel was studied by using block‐on‐ring sliding abrasion tester under drilling fluid condition. The results showed that the wear rate of 6.5%SiCp/Al–Cu–Mg–Zn reduced by 80%, compared with the extruded Al–Cu–Mg–Zn alloy. Furthermore, the wear behavior of SiCp/Al–Cu–Mg–Zn was studied by using dynamic load impact tester with the silica sand used as abrasive. The results showed that the wear rate of 6.5%SiCp/Al–Cu–Mg–Zn reduced by 17%, compared with the extruded Al–Cu–Mg–Zn alloy. The overall results indicated that the 6.5%SiCp/Al–Cu–Mg–Zn could be considered as a potential drill pipe material, which has higher wear resistance compared with the Al–Cu–Mg–Zn alloy. Copyright © 2015 John Wiley & Sons, Ltd.
Multiscale approach for modeling electron spectra induced by photons from solids
Authors: Kövér L.
Published: December 2015

Physical and chemical phenomena reflected in electron spectra excited by photons from solids take place on very wide scales of space, time, and excitation energy, covering sometimes differences of many orders of magnitude. Therefore, the use of multiscale approaches seems to be promising when extracting information on electronic structure or chemical composition from such electron spectra. Following a summary of phenomena reflected in electron spectra induced from solids by photons and different type of models available for their interpretation, the challenges of characterization of advanced materials and the need for multiscale materials analysis and modeling will be discussed. Copyright © 2015 John Wiley & Sons, Ltd.
Special Issue Collection: In Memoriam
Authors: Murphy Ann , Murphy Martin J. , Glenn Begley C. , Richard Stanley E. , Migliaccio Anna Rita , Kaushansky Kenneth , Ng Ashley P. , Alexander Warren S. , Hilton Douglas J. , Nicola Nicos A.
Published: December 2015

A collection of tributes and remembrances from esteemed colleagues, mentees, and friends on the life and work of “the father of hematopoietic cytokines”
Modular integration of a matrix converter
Authors: Solomon Adane Kassa , Skuriat Robert , Castellazzi Alberto , Wheeler Pat
Published: December 2015

The future development of high‐performance power electronics will rely increasingly on system‐level integration, where semiconductor devices are co‐packaged with other active and passive components (e.g., gate drivers, filter capacitors, and inductors) into a power module. In view of the widespread electrification of pivotal elements of the energy generation and distribution infrastructure (e.g., smart grids, electric aircraft, electric vehicles), modularity is also increasingly gaining importance as a means of enhancing overall system performance and reducing long‐term maintenance costs. This paper focuses on the development of a highly integrated three‐to‐one phase matrix converter for avionic applications. It proposes an integration approach that enhances the volumetric and gravimetric power handling capability, with enhanced electromagnetic and electrothermal performance as compared to established solutions. Maintenance is also simplified by the modular assembly approach. © 2015 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.