bluuebunny/crossref_metadata_2025 huggingface dataset:
Patterns of disease relapse in primary extremity soft-tissue sarcoma
Authors: Smith H G , Memos N , Thomas J M , Smith M J F , Strauss D C , Hayes A J
Published: August 2016

Background

Extremity soft-tissue sarcomas comprise a range of distinct histological subtypes. This study aimed to characterize the patterns of disease relapse in patients undergoing resection of primary extremity soft-tissue sarcoma.

Methods

All patients who had resection of primary extremity soft-tissue sarcoma at the Royal Marsden Hospital between January 2004 and January 2014 were identified from an institutional database.

Results

In the period examined, 556 patients underwent resection. The most common histological subtypes were undifferentiated pleomorphic sarcoma (169 patients, 30·4 per cent), well differentiated liposarcoma (63, 11·3 per cent), myxoid liposarcoma (62, 11·2 per cent), myxofibrosarcoma (54, 9·7 per cent) and leiomyosarcoma (39, 7·0 per cent). Local recurrence-free survival (LRFS) did not differ significantly between histological subtypes (P = 0·222). Distant metastasis-free survival (DMFS) and disease-specific survival (DSS) were found to differ significantly between subtypes (P < 0·001 for both DMFS and DSS), with the worst outcomes in patients with undifferentiated pleomorphic sarcoma (5-year survival rate: 56·8 (95 per cent c.i. 52·5 to 61·1) per cent for DMFS; 60·1 (55·6 to 64·6) per cent for DSS). However, on multivariable analysis, histological subtype was not found to be independently prognostic for LRFS, DMFS or DSS. Metastatic disease developed in 149 patients, with the lungs being the most common site of first metastasis (120 patients, 80·5 per cent). The site of first metastasis differed between subtypes, with extrapulmonary metastases predominant in myxoid liposarcoma (11 of 13 patients; P < 0·001).

Conclusion

Although histological subtype was not found to be an independent prognostic factor for oncological outcomes, the site of first metastasis differed significantly between subtypes.
Phenotypic Variations in the Foliar Chemical Profile of Persea americana Mill. cv. Hass
Authors: García‐Rodríguez Yolanda Magdalena , Torres‐Gurrola Guadalupe , Meléndez‐González Claudio , Espinosa‐García Francisco J.
Published: August 2016

The Hass avocado tree Persea americana cv. Hass was derived from a single hybrid tree of P. americana var. drymifolia and P. americana var. guatemalensis, and it is propagated clonally by grafting. This cultivar is the most widely planted in the world but its profile of secondary metabolites has been studied rarely despite of its importance in plant protection. We illustrate the variability of the volatilome of mature leaves by describing the average chemical composition and the phenotypic variability found in 70 trees. Contrary to the uniformity expected in the Hass cultivar, high variability coefficients were found for most of the 36 detected foliar volatile compounds; furthermore we found six chemotypes grouping the foliar phenotypes of the sampled trees using hierarchical cluster analysis. About 48% of trees were grouped in one chemotype; five chemotypes grouped the remaining trees. The compounds that determined these chemotypes were: estragole, α‐farnesene, β‐caryophyllene, germacrene D, α‐cubebene and eugenol. This striking variation in a cultivar propagated clonally is discussed in terms of somatic mutation.
Chemoselective Preparation of Clickable Aryl Sulfonyl Fluoride Monomers: A Toolbox of Highly Functionalized Intermediates for Chemical Biology Probe Synthesis
Authors: Fadeyi Olugbeminiyi , Parikh Mihir D. , Chen Ming Z. , Kyne Robert E. , Taylor Alexandria P. , O'Doherty Inish , Kaiser Stephen E. , Barbas Sabrina , Niessen Sherry , Shi Manli , Weinrich Scott L. , Kath John C. , Jones Lyn H. , Robinson Ralph P.
Published: August 2016

Sulfonyl fluoride (SF)‐based activity probes have become important tools in chemical biology. Herein, exploiting the relative chemical stability of SF to carry out a number of unprecedented SF‐sparing functional group manipulations, we report the chemoselective synthesis of a toolbox of highly functionalized aryl SF monomers that we used to quickly prepare SF chemical biology probes. In addition to SF, the monomers bear an embedded click handle (a terminal alkyne that can perform copper(I)‐mediated azide–alkyne cycloaddition). The monomers can be used either as fragments to prepare clickable SF analogues of drugs (biologically active compounds) bearing an aryl ring or, alternatively, attached to drugs as minimalist clickable aryl SF substituents.
A Catalytic Nanoreactor Based on in Vivo Encapsulation of Multiple Enzymes in an Engineered Protein Nanocompartment
Authors: Giessen Tobias W. , Silver Pamela A.
Published: August 2016

Bacterial protein compartments concentrate and sequester enzymes, thereby regulating biochemical reactions. Here, we generated a new functional nanocompartment in Escherichia coli by engineering the MS2 phage capsid protein to encapsulate multiple cargo proteins. Sequestration of multiple proteins in MS2‐based capsids was achieved by SpyTag/SpyCatcher protein fusions that covalently crosslinked with the interior surface of the capsid. Further, the functional two‐enzyme indigo biosynthetic pathway could be targeted to the engineered capsids, leading to a 60 % increase in indigo production in vivo. The enzyme‐loaded particles could be purified in their active form and showed enhanced long‐term stability in vitro (about 95 % activity after seven days) compared with free enzymes (about 5 % activity after seven days). In summary, this engineered in vivo encapsulation system provides a simple and versatile way for generating highly stable multi‐enzyme nanoreactors for in vivo and in vitro applications.
Compression strategies for the chemometric analysis of mass spectrometry imaging data
Authors: Bedia Carmen , Tauler Romà , Jaumot Joaquim
Published: August 2016

Application of chemometric methods to mass spectrometry imaging (MSI) data faces a bottleneck concerning the vast size of the experimental data sets. This drawback is critical when considering high‐resolution mass spectrometry data, which provide several thousand points for each considered pixel. In this work, different approaches have been tested to reduce the size of the analyzed data with the aim to allow the subsequent application of typical chemometric methods for image analysis. The standard approach for MSI data compression consists in binning mass spectra for each pixel to reduce the number of m/z values. In this work, a method is proposed to handle the huge size of MSI data based on the adaptation of a liquid chromatography‐mass spectrometry data compression method by the detection of regions of interest. Results showed that both approaches achieved high compression rates, although the proposed regions of interest–based method attains this reduction requiring lower computational requirements and keeping utter spectral information. For instance, typical compression rate reached values higher than 90% without loss of information in images and spectra.
A Lamellar Coordination Polymer with Remarkable Catalytic Activity
Authors: Mendes Ricardo F. , Antunes Margarida M. , Silva Patrícia , Barbosa Paula , Figueiredo Filipe , Linden Anthony , Rocha João , Valente Anabela A. , Almeida Paz Filipe A.
Published: August 2016

A positively charged lamellar coordination polymer based on a flexible triphosphonic acid linker is reported. [Gd(H4nmp)(H2O)2]Cl⋅2 H2O (1) [H6nmp=nitrilotris(methylenephosphonic acid)] was obtained by a one‐pot approach by using water as a green solvent and by forcing the inclusion of additional acid sites by employing HCl in the synthesis. Compound 1 acts as a versatile heterogeneous acid catalyst with outstanding activity in organic reactions such as alcoholysis of styrene oxide, acetalization of benzaldehyde and cyclohexanaldehyde and ketalization of cyclohexanone. For all reaction systems, very high conversions were reached (92–97 %) in only 15–30 min under mild conditions (35 °C, atmospheric pressure). The coordination polymer exhibits a protonic conductivity of 1.23×10−5 S cm−1 at 98 % relative humidity and 40 °C.
Structure Determination of an AgI‐Mediated Cytosine–Cytosine Base Pair within DNA Duplex in Solution with 1H/15N/109Ag NMR Spectroscopy
Authors: Dairaku Takenori , Furuita Kyoko , Sato Hajime , Šebera Jakub , Nakashima Katsuyuki , Kondo Jiro , Yamanaka Daichi , Kondo Yoshinori , Okamoto Itaru , Ono Akira , Sychrovský Vladimír , Kojima Chojiro , Tanaka Yoshiyuki
Published: August 2016

The structure of an AgI‐mediated cytosine–cytosine base pair, C–AgI–C, was determined with NMR spectroscopy in solution. The observation of 1‐bond 15N‐109Ag J‐coupling (1J(15N,109Ag): 83 and 84 Hz) recorded within the C–AgI–C base pair evidenced the N3–AgI–N3 linkage in C–AgI–C. The triplet resonances of the N4 atoms in C–AgI–C demonstrated that each exocyclic N4 atom exists as an amino group (−NH2), and any isomerization and/or N4–AgI bonding can be excluded. The 3D structure of AgI–DNA complex determined with NOEs was classified as a B‐form conformation with a notable propeller twist of C–AgI–C (−18.3±3.0°). The 109Ag NMR chemical shift of C‐AgI‐C was recorded for cytidine/AgI complex (δ(109Ag): 442 ppm) to completed full NMR characterization of the metal linkage. The structural interpretation of NMR data with quantum mechanical calculations corroborated the structure of the C–AgI–C base pair.
Chemoenzymatic Total Synthesis of (+)‐Galanthamine and (+)‐Narwedine from Phenethyl Acetate
Authors: Endoma‐Arias Mary A. A. , Hudlicky Tomas
Published: August 2016

The stereoselective total synthesis of unnatural (+)‐galanthamine starting from phenethyl acetate is described. Chirality was introduced via microbial dihydroxylation of phenethyl acetate with the recombinant strain JM109 (pDTG601A) to the corresponding cis‐cyclohexadi–enediol, configuration of which provided the absolute stereochemistry of the ring C of (+)‐galanthamine. Intramolecular Heck cyclization was used to form the quaternary carbon and dibenzofuran functionality. The synthesis of (+)‐galanthamine was completed in a total of ten steps and an overall yield of 5.5 %. Experimental and spectral data are provided for all new compounds.
Steady‐State, Scalable Production of Mesoporous Rutile and Brookite Particles and Their Use in Energy Conversion and Storage Cells
Authors: Yasin Amrita , Guo Fuqiang , Sussman Micah J. , Gauvin Raynald , Demopoulos George P.
Published: August 2016

Mesoporous TiO2 rutile particles with a cauliflower‐like morphology and an internal structure of self‐assembled nanoneedles were synthesized in a novel TiIV chloride aqueous‐solution hydrolysis process. In an effort to make nanostructured rutile synthesis cost‐effective and green, the process was conducted at steady‐state in a continuously stirred tank reactor (CSTR) below 100 °C. High TiCl4 concentration 0.5–1 m yielded rutile, while lowering the concentration to 0.1 m led to the crystallization of brookite nanoplatelets. Apart from phase control, specific surface area of rutile may be tuned via TiCl4 concentration regulation from 85 to 500 m2 g−1. Investigation revealed that low pH/high TiIV concentration conditions favored direct nucleation of rutile nuclei during steady state that grow radially outward into nanoneedle structured cauliflower particles with nanoscale edgy surface. The unique steady‐state produced mesoporous rutile particles were shown to have excellent light scattering properties in a bi‐layer photoanode structure resulting in 42.5 % increase in photovoltaic efficiency. Brookite nanoplatelets were shown, in addition to their scattering properties, to exhibit stable Li‐ion intercalation functionality.
A similarity‐based cross‐language comparison of basicness and demarcation of “blue” terms
Authors: Bimler David , Uusküla Mari
Published: August 2016

To investigate linguistic and perceptual boundaries within the “blue” region of the color gamut, we analyzed sorting data from speakers of six languages who sorted color stimuli by similarity. Two of these languages, Russian and Italian, are thought to have a separate basic color term and category for “light blue,” distinguishing it from “blue,” and the third was English, which lacks this distinction. There has been less study of the possible basicness of “light blue” terms in the other three languages: Lithuanian and Estonian (both spoken in Baltic states) and Udmurt (a linguistic enclave in North Russia). Sorting data from each sample of speakers were analyzed with principal component analysis and multidimensional scaling, reducing them to a pattern of interstimulus similarities. In addition, color‐naming data were collected for five of the languages and confirmed that sorting responses were not simply a reflection of the words used by subjects to label the stimuli. A “clustering index” was created, quantifying the extent of light/dark blue separation and the strength of any category boundary between them; this was low for English‐language participants but high for Russian and Italian. Udmurt and Lithuanian values were also high, whereas Estonian responses were closer to English. Thus, when clustering of blue stimuli is used as an additional indicator of basicness, the results are compatible with earlier evidence that “light blue” is a separate basic color category in Russian and Italian, and further indicate that light blue terms are basic in Udmurt and Lithuanian, but not Estonian. It may be that “blue” categories are especially susceptible to splitting into two under the influence of linguistic contact. © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 362–377, 2017
Encapsulation of Perovskite Solar Cells for High Humidity Conditions
Authors: Dong Qi , Liu Fangzhou , Wong Man Kwong , Tam Ho Won , Djurišić Aleksandra B. , Ng Annie , Surya Charles , Chan Wai Kin , Ng Alan Man Ching
Published: August 2016

We examined different encapsulation strategies for perovskite solar cells by testing the device stability under continuous illumination, elevated temperature (85 °C) and ambient humidity of 65 %. The effects of the use of different epoxies, protective layers and the presence of desiccant were investigated. The best stability (retention of ∼80 % of initial efficiency on average after 48 h) was obtained for devices protected by a SiO2 film and encapsulated with a UV‐curable epoxy including a desiccant sheet. However, the stability of ZnO‐based cells encapsulated by the same method was found to be inferior to that of TiO2‐based cells. Finally, outdoor performance tests were performed for TiO2‐based cells (30–90 % ambient humidity). All the stability tests were performed following the established international summit on organic photovoltaic stability (ISOS) protocols for organic solar cell testing (ISOS‐L2 and ISOS‐O1).
Nonracemic γ‐Lactones from the Sharpless Asymmetric Dihydroxylation of β,γ‐Unsaturated Carboxylic Esters
Authors: Neumeyer Markus , Brückner Reinhard
Published: August 2016

Since Sharpless' discovery of the asymmetric dihydroxylation of C=C double bonds in the late 1980s this reaction has become a powerful tool of synthetic organic chemistry. As a consequence, this transformation has been reviewed repeatedly and extensively. The present microreview focuses on Sharpless' asymmetric dihydroxylations (from here on “SADs”) of β,γ‐unsaturated carboxylic esters. These SADs differ from most others in that they provide not nonracemic 1,2‐diols but follow‐up products thereof. Bearing ester groups at appropriate distances, the SAD‐based 1,2‐diols obtained from β,γ‐unsaturated carboxylic esters lactonize readily under SAD conditions. Accordingly, SADs of β,γ‐unsaturated carboxylic esters furnish nonracemic β‐hydroxy‐γ‐lactones in a single operation. We show that this SAD route represents a – or even the most – potent easy‐to‐handle route to nonracemic butanolides and butenolides “of almost all kinds”. The span covered is from pioneering racemic work to applications in natural product synthesis. Some non‐butanolide and non‐butenolide target syntheses are included, especially those of tetrahydrofurans.
Silver‐Mediated C–H Difluoromethylation of Arenes
Authors: Li Jialiang , Wan Wen , Ma Guobin , Chen Yunrong , Hu Qingyang , Kang Kai , Jiang Haizhen , Hao Jian
Published: August 2016

The first AgI‐mediated C–H ethoxycarbonyl difluoromethylation with TMSCF2COOEt (TMS = trimethylsilyl) has been developed. The radical difluoromethylation proceeds smoothly to give the difluoromethylated arenes in moderate to high yields with Friedel–Crafts‐type regioselectivity. Mechanistic studies indicate that the innate C–H difluoromethylation proceeds through an electrophilic radical‐type pathway.
Energy Consumption for CO2 Capture by means of the Calcium Looping Process: A Comparative Analysis using Limestone, Dolomite, and Steel Slag
Authors: Ortiz Carlos , Valverde José M. , Chacartegui Ricardo
Published: August 2016

The calcium looping (CaL) process, based upon the dry carbonation/calcination of CaO/CaCO3, is at the center of a potentially low‐cost, second‐generation technology for CO2 capture. This manuscript analyzes the energy penalty that arises from the integration of the CaL process into a coal‐fired power plant using cheap and abundantly available CaO precursors such as natural limestone, dolomite, and steel slag. Experimental results on their multicycle capture capacity behavior obtained from thermogravimetric analysis (TGA) at realistic CaL conditions for CO2 capture are used to this end. This work shows that the specific energy consumption for CO2 avoided (SPECCA) is reduced by using either dolomite or steel slag, whose carbonation kinetics in the diffusive phase are accelerated as compared to limestone. Thus, the use of dolomite as CaO precursor would yield a low SPECCA value of approximately 2 MJ kg−1 CO2 for a residence time of the solids in the carbonator of approximately 10 minutes, which is clearly below the SPECCA value usually reported for conventional amine‐based CO2 capture systems.
Early changes of brain connectivity in primary open angle glaucoma
Authors: Frezzotti Paolo , Giorgio Antonio , Toto Francesca , De Leucio Alessandro , De Stefano Nicola
Published: August 2016

Our aim was to assess in primary open angle glaucoma (POAG), a major cause of irreversible blindness worldwide, whether diffuse brain changes recently shown in advanced stage can be detected since the early stage. We used multimodal magnetic resonance imaging (MRI) in 57 patients with the three POAG stages and in 29 age‐matched normal controls (NC). Voxelwise statistics was performed with nonparametric permutation testing. Compared with NC, disrupted anatomical connectivity (AC) was found in the whole POAG group along the visual pathway and in nonvisual white matter tracts (P < 0.001). Moreover, POAG patients showed decreased functional connectivity (FC) in the visual (P = 0.004) and working memory (P < 0.001) networks whereas an increase occurred in the default mode (P = 0.002) and subcortical (P < 0.001) networks. Altered AC and FC were already present in early POAG (n = 14) in both visual and nonvisual systems (P ≤ 0.01). Only severe POAG (n = 30) showed gray matter atrophy and this mapped on visual cortex (P < 0.001) and hippocampus (P < 0.001). Increasing POAG stage was associated with worsening AC in both visual and nonvisual pathway (P < 0.001), progressive atrophy in the hippocampus and frontal cortex (P < 0.003). Most of the structural and functional alterations within and outside the visual system showed correlation (P < 0.001 to 0.02) with computerized visual field and retinal nerve fiber layer thickness. In conclusion, the complex pathogenesis of POAG includes widespread damage of AC and altered FC within and beyond the visual system since the early disease stage. The association of brain MRI changes with measures of visual severity emphasizes the clinical relevance of our findings. Hum Brain Mapp 37:4581–4596, 2016. © 2016 Wiley Periodicals, Inc.
In vivo assessment of periodontal structures and measurement of gingival sulcus with Optical Coherence Tomography: a pilot study
Authors: Fernandes Luana Osório , Mota Cláudia Cristina Brainer Oliveira , de Melo Luciana Santos Afonso , da Costa Soares Manuella Uilmann Silva , da Silva Feitosa Daniela , Gomes Anderson Stevens Leônidas
Published: August 2016

There has been increasing interest on the development of clinically acceptable, more sensitive and specific methods for non‐invasive diagnosis in Periodontics. In this pilot study, the performance of an Optical Coherence Tomography (OCT) system in imaging periodontal structures in humans was evaluated. Gingival sulcus depth measurements were obtained and compared with traditional probes. In total, 445 sites of 23 periodontally healthy individuals were measured by 3 instruments: North Carolina manual probe, Florida automated probe and OCT at 1325 nm. To obtain quantitative measurements from OCT images, the gingival refractive index was also determined. Discomfort/pain perception and the duration of examinations were compared among the instruments. The analysis of OCT images allowed the identification of relevant anatomic dental and periodontal regions. The average sulcus depth measured by OCT, 0.85 ± 0.27 mm and 0.87 ± 0.28 mm, was lower than the values obtained by manual and automated probing. Discomfort/pain were prevalent for traditional probes, which are invasive methods, than for the non‐invasive OCT technique. OCT has the potential to be a reliable tool for in vivo periodontal tissues evaluation and for reproducible sulcus depth measurements in healthy sites. Further technological advances are required to reduce the procedure time and promote evaluation of posterior oral regions.

Photonic assessment of periodontal tissue with OCT (top) in a clinical environment, showing tooth/gingiva features (bottom).

magnified image

Photonic assessment of periodontal tissue with OCT (top) in a clinical environment, showing tooth/gingiva features (bottom).
FGF21 Is Not a Major Mediator for Bone Homeostasis or Metabolic Actions of PPARα and PPARγ Agonists
Authors: Li Xiaodong , Stanislaus Shanaka , Asuncion Frank , Niu Qing-Tian , Chinookoswong Narumol , Villasenor Kelly , Wang Jin , Wong Philip , Boyce Rogely , Dwyer Denise , Han Chun-Ya , Chen Michelle M , Liu Benxian , Stolina Marina , Ke Hua Zhu , Ominsky Michael S , Véniant Murielle M , Xu Jing
Published: August 2016

Results of prior studies suggest that fibroblast growth factor 21 (FGF21) may be involved in bone turnover and in the actions of peroxisome proliferator-activated receptor (PPAR) α and γ in mice. We have conducted independent studies to examine the effects of FGF21 on bone homeostasis and the role of FGF21 in PPARα and γ actions. High-fat-diet-induced obesity (DIO) mice were administered vehicle or recombinant human FGF21 (rhFGF21) intraperitoneally at 0 (vehicle), 0.1, 1, and 3 mg/kg daily for 2 weeks. Additional groups of DIO mice received water or 10 mg/kg rosiglitazone daily. Mice treated with rhFGF21 or rosiglitazone showed expected metabolic improvements in glucose, insulin, and lipid levels. However, bone loss was not detected in rhFGF21-treated mice by dual-energy X-ray absorptiometry (DXA), micro-CT, and histomorphometric analyses. Mineral apposition rate, a key bone formation parameter, was unchanged by rhFGF21, while significantly decreased by rosiglitazone in DIO mice. Bone resorption markers, OPG/RANKL mRNA expression, and histological bone resorption indices were unchanged by rhFGF21 or rosiglitazone. Bone marrow fat was unchanged by rhFGF21, while increased by rosiglitazone. Furthermore, FGF21 knockout mice did not show high bone mass phenotype. Treatment with PPARα or PPARγ agonists caused similar metabolic effects in FGF21 knockout and wild-type mice. These results contrast with previous findings and suggest that FGF21 is not critical for bone homeostasis or actions of PPARα and PPARγ. © 2016 American Society for Bone and Mineral Research.
The Impact of Integrated Psychological Services in a Safety Net Primary Care Clinic on Medical Utilization
Authors: Lanoye Autumn , Stewart Karen E. , Rybarczyk Bruce D. , Auerbach Stephen M. , Sadock Elizabeth , Aggarwal Arpita , Waller Rachel , Wolver Susan , Austin Kristin
Published: August 2016

Objective

The integration of psychological and behavioral health services into safety net primary care clinics has been viewed as a step toward reducing disparities in mental health treatment and addressing behavioral factors in chronic diseases. Though it is posited that integrated behavioral health (IBH) reduces preventable medical costs, this premise has yet to be tested in a safety net primary care clinic.

Method

Retrospective pre‐ and posttreatment analysis with quasi‐experimental control group was constructed using propensity score matching. Participants included 1,440 adult patients at a safety net primary care clinic, 720 of whom received IBH services, and 720 of whom received medical treatment only.

Results

Analysis showed that rates of preventable inpatient utilization decreased significantly among IBH‐treated patients compared to no change among control patients.

Conclusion

IBH was associated with decreased rates of preventable inpatient visits. IBH may present opportunities to deliver improved holistic patient care while reducing unnecessary inpatient medical utilization.
Effect of Low‐Furanocoumarin Hybrid Grapefruit Juice Consumption on Midazolam Pharmacokinetics
Authors: Kawaguchi‐Suzuki Marina , Nasiri‐Kenari Negar , Shuster Jonathan , Gmitter Jr. Fred G. , Cancalon Paul , de Oliveria Felipe , Kight Jennifer , Handberg Eileen M. , Pepine Carl J. , Frye Reginald F. , Cooper‐DeHoff Rhonda M.
Published: August 2016

The objectives of this study were to investigate the effect of grapefruit juice low in furanocoumarins on CYP3A activity and to summarize previous findings of enzyme inhibition measured by the metabolism of midazolam after intake of grapefruit juice. Twelve healthy volunteers participated in a prospective, randomized, double‐blinded, 3‐way crossover clinical study to determine the effect of regular grapefruit juice (RGJ) and a novel, low‐furanocoumarin hybrid grapefruit juice (HGJ) on the metabolism of oral midazolam, used as a probe for in vivo CYP3A activity, compared with water as a control. The RGJ was 100% hand‐squeezed “Hudson” grapefruit juice, and the HGJ contained low amounts of furanocoumarin constituents. The point estimates (90% confidence intervals) for the RGJ/water midazolam AUC geometric mean ratio was 122% (107‐140). The point estimate for the HGJ/water midazolam AUC ratio was within the 80% to 125% bioequivalence range, indicating an absence of interaction. This finding also prompted a systematic review of available evidence on the pharmacokinetic alteration of midazolam by grapefruit juice. Although most studies demonstrated alteration in midazolam pharmacokinetics supporting inhibition of CYP3A activity as a likely mechanism, the cohorts included in these studies and the extent of the pharmacokinetic interaction varied widely. The current study indicated grapefruit juice‐drug interaction varies substantially based on patient characteristics and/or grapefruit juice product‐related factors, including the amount of furanocoumarin constituents present in the juice.
Targeted and untargeted profiling of alkaloids in herbal extracts using online solid‐phase extraction and high‐resolution mass spectrometry (Q‐Orbitrap)
Authors: Nardin Tiziana , Piasentier Edi , Barnaba Chiara , Larcher Roberto
Published: August 2016

The biological activity of alkaloids (ALKs) and the different content of these natural products in herbs and plants have made them an attractive field for chemical studies.

A screening method automatically combining online solid‐phase purification and concentration of samples with analysis using ultra‐high performance liquid chromatography coupled with a hybrid quadrupole orbitrap mass spectrometer was developed and is reported in this paper. The proposed quantification method was validated for 35 ALKs with reference to pure analytical standards. A further 48 ALKs were identified on the basis of their accurate mass and characterised for chromatographic retention time and fragmentation profile, following their confirmation in extracts of herbs already well documented in the literature. More than 250 other untargeted ALKs were also tentatively identified using literature information, such as exact mass and isotopic pattern. The mass spectrometer operated in positive ion mode and mass spectra were acquired, with full MS‐data‐dependent MS/MS analysis (full MS–dd MS/MS) at a resolution of 140 000.

The method was linear up to an ALK concentration of 1000/3000 µg l−1, with R2 always >0.99 and limits of detection ranging between 0.04 and 10 µg l−1. Accuracy, expressed as the recovery relative error, had a median value of 7.4%, and precision (relative standard deviation %) was generally lower than 10% throughout the quantitation range. The proposed method was then used to investigate the targeted and untargeted ALK profile of a selection of 18 alpine herbal plants, establishing that pyrrolizidine, pyrrolidine and piperidine ALKs were the most well represented. Copyright © 2016 John Wiley & Sons, Ltd.
Serum HBV core‐related antigen is a good predictor for spontaneous HBeAg seroconversion in chronic hepatitis B patients
Authors: Song Guangjun , Yang Ruifeng , Rao Huiying , Feng Bo , Ma Hui , Jin Qian , Wei Lai
Published: August 2016

Early prediction of spontaneous hepatitis B virus e antigen (HBeAg) seroconversion is pivotal in the prevention of unnecessary drug prescription, corresponding financial burden, and adverse reactions. One hundred and thirteen chronic hepatitis B patients with HBeAg‐positive in the immune active phase were followed up for about 1.5 years. Patients were classified into two groups: spontaneous HBeAg seroconversion group (group A, n = 18) and non‐spontaneous HBeAg seroconversion group. Among the non‐spontaneous HBeAg seroconversion group, 35 patients were selected as controls (group B, n = 35). At week 12, there was a significant difference in hepatitis B core‐related antigen (HBcrAg) levels between the two groups (group A 4.32 ± 1.05 log10 kU/ml, and group B 5.16 ± 0.53 log10 kU/ml, P = 0.004), and this significance magnified at week 28. Only two variables, HBcrAg level and the reduction in the HBcrAg levels (ΔHBcrAg) at week 28 were enrolled, with the odds ratio of 4.19 and 0.21, respectively. The optimal cutoffs of HBcrAg levels and the ΔHBcrAg at week 28 were 4.90 and 2.00 log10 kU/ml, respectively. The positive predictive value and negative predictive value of HBcrAg levels at week 28 were 73.9% and 96.7%, respectively. The positive predictive value and negative predictive value of the ΔHBcrAg at week 28 were 76.2% and 93.8%, respectively. The measurement of HBcrAg is useful for monitoring the natural course of chronic hepatitis B virus infection. The dynamics of HBcrAg levels could accurately predict the spontaneous HBeAg seroconversion. J. Med. Virol. 89:463–468, 2017. © 2016 Wiley Periodicals, Inc.
The sound of cooperation: Musical influences on cooperative behavior
Authors: Kniffin Kevin M. , Yan Jubo , Wansink Brian , Schulze William D.
Published: August 2016

Music as an environmental aspect of professional workplaces has been closely studied with respect to consumer behavior while sparse attention has been given to its relevance for employee behavior. In this article, we focus on the influence of music upon cooperative behavior within decision‐making groups. Based on results from two extended 20‐round public goods experiments, we find that happy music significantly and positively influences cooperative behavior. We also find a significant positive association between mood and cooperative behavior. Consequently, while our studies provide partial support for the relevance of affect in relation to cooperation within groups, we also show an independently important function of happy music that fits with a theory of synchronous and rhythmic activity as a social lubricant. More generally, our findings indicate that music and perhaps other atmospheric variables that are designed to prime consumer behavior might have comparably important effects for employees and consequently warrant closer investigation. Copyright © 2016 The Authors Journal of Organizational Behavior Published by John Wiley & Sons Ltd.
Factors influencing the efficacy of iodine foliar sprays used for biofortifying butterhead lettuce (Lactuca sativa)
Authors: Lawson Patrick G. , Daum Diemo , Czauderna Roman , Vorsatz Carsten
Published: August 2016

Iodine biofortification of butterhead lettuce (Lactuca sativa) via foliar sprays was investigated in field trials, focusing on assessing the influence of the time and application method. The iodine (I) concentrations in the edible plant parts increased when potassium iodide (KI) and potassium iodate (KIO3) solutions were sprayed at doses up to 0.25 kg I ha−1 on different dates close to harvest. Crop yield and marketable quality were not significantly affected by I treatments. A greater efficacy of KI was frequently observed and probably related to its lower point of deliquescence and smaller anion size in comparison with KIO3. KI sprays on butterhead lettuce at different times of the day resulted in a higher I enrichment when applied at 11:00 and 15:00 h. The diurnal variation in I uptake may reflect the impact of fluctuating climatic conditions at the time of application. Iodine treatments at different application dates near harvest led to an increasing I concentration in the vegetable produce that could be related to the rising shoot fresh mass and leaf area. When KI and KIO3 were sprayed simultaneously with commercial calcium fertilizers, fungicides or insecticides, I accumulation in butterhead lettuce was not negatively affected or in some cases even significantly enhanced. The results show that foliar sprays of KI and KIO3 are an effective method to biofortify butterhead lettuce with I and this approach may easily be implemented as a routine method in commercial cultivation.
Phase‐contrast MRI with hybrid one and two‐sided flow‐encoding and velocity spectrum separation
Authors: Wang Da , Shao Jiaxin , Ennis Daniel B. , Hu Peng
Published: August 2016

Purpose

To develop and evaluate a phase‐contrast MRI (PC‐MRI) technique with hybrid one and two‐sided flow‐encoding and velocity spectrum separation (HOTSPA) for accelerated blood flow and velocity measurement.

Methods

In the HOTSPA technique, the two‐sided flow encoding (FE) is used for two FE directions and one‐sided is used for the remaining FE direction. Such a temporal modulation of the FE strategy allows for separations of the Fourier velocity spectrum into components for the flow‐compensated and the three‐directional velocity waveforms, accelerating PC‐MRI by encoding three‐directional velocities using only two repetition times (TRs) instead of four TRs as in standard PC‐MRI. The HOTSPA was evaluated and compared with standard PC‐MRI in the common carotid arteries of six healthy volunteers.

Results

Total volumetric flow and peak velocity measurements based on HOTSPA and the conventional PC‐MRI were in good agreement with a bias of −0.005 mL (−0.1% relative bias error) for total volumetric flow and 1.21 cm/s (1.1% relative bias error) for peak velocity, although the total acquisition time was 50% of the conventional PC‐MRI.

Conclusion

The proposed HOTSPA technique achieved nearly two‐fold acceleration of PC‐MRI while maintaining accuracy for total volumetric flow and peak velocity quantification by separating the paired acquisitions in the Fourier velocity spectrum domain. Magn Reson Med 78:182–192, 2017. © 2016 International Society for Magnetic Resonance in Medicine
Metabolomics‐identified metabolites associated with body mass index and prospective weight gain among Mexican American women
Authors: Zhao H. , Shen J. , Djukovic D. , Daniel‐MacDougall C. , Gu H. , Wu X. , Chow W. ‐H.
Published: August 2016

Objective

Obesity is a metabolic disease. However, the underlying molecular mechanisms linking metabolic profiles and weight gain are largely unknown.

Methods

Here, we used semi‐targeted metabolomics to assay 156 metabolites selected from 25 key metabolic pathways in plasma samples from 300 non‐smoking healthy women identified from Mano‐A‐Mano, the Mexican American Cohort study. The study subjects were randomly divided into two cohorts: training (N = 200) and testing (N = 100) cohorts. Linear regression and Cox proportional hazard regression were used to assess the effect of body mass index (BMI) at baseline on metabolite levels and the effects of metabolites on significant weight gain during a 5‐year follow‐up.

Results

At baseline, we observed 7 metabolites significantly associated with BMI in both training and testing cohorts. They were Methyl succinate, Asparagine, Urate, Kynurenic acid, Glycine, Glutamic acid, and Serine. In further analysis, we identified 6 metabolites whose levels at baseline predicted significant weight gain during 5‐year follow‐up in both cohorts. They were Acetylcholine, Leucine, Hippuric acid, Acetylglycine, Urate, and Xanthine.

Conclusions

The findings establish the baseline metabolic profiles for BMI, and suggest new metabolic targets for researchers attempting to understand the molecular mechanisms of weight gain and obesity.
A novel method to prepare microcellular poly(vinyl alcohol) foam based on thermal processing and supercritical fluid
Authors: Liu Pengju , Chen Wenhua , Jia Yingbin , Bai Shibing
Published: August 2016

Combining the thermal processing and supercritical fluid technology develops a novel preparation method of microcellular poly(vinyl alcohol) (PVA). Water, as the plasticizer in system, can form the hydrogen bonding with pendant hydroxyl of PVA and weaken its strong intermolecular and intramolecular forces to realize the thermal processing. Supercritical carbon dioxide (sc‐CO2) can easily dissolve into water‐plasticized PVA (WPVA) because of the destruction of crystal region caused by water, and the enhanced sc‐CO2 solubility can greatly improve the foamability of WPVA. The porous structure generates through the saturation of sc‐CO2 in WPVA sample and followed by pressure drop‐induced phase separation. The foaming behavior of WPVA was studied as a function of saturation pressure, foaming temperature, and saturation time. The cell density, cell size, and distribution of the obtained foam can be controlled by tuning processing conditions. The results revealed that the cell size decreased, and its distribution narrowed with saturation pressure increasing, or decrease of foaming temperature. But excessively increasing the saturation time generated a negative effect on the foaming behavior owing to the deteriorated plasticization effect resulted from the loss of water. Copyright © 2016 John Wiley & Sons, Ltd.
Modeling of Streamer Dynamics in Atmospheric‐Pressure Air Plasma Jets
Authors: Naidis George V.
Published: August 2016

Results of simulation of streamers propagating along atmospheric‐pressure air plasma jets formed by pulsed discharges in thin dielectric tubes are presented. The specific feature of these jets is substantial gas heating by the discharges. The hot gas, emerging from the tube, is cooled at mixing with surrounding air. The streamers are guided along the jet axis, the channel with reduced gas density. Spatial profiles of various plasma parameters inside the jet are calculated. The densities of produced oxygen and nitrogen atoms near the jet axis are one‐two orders larger, while the widths of radial profiles of these species are several times smaller than those in typical helium plasma jets.
Allosteric HIV‐1 integrase inhibitors promote aberrant protein multimerization by directly mediating inter‐subunit interactions: Structural and thermodynamic modeling studies
Authors: Deng Nanjie , Hoyte Ashley , Mansour Yara E. , Mohamed Mosaad S. , Fuchs James R. , Engelman Alan N. , Kvaratskhelia Mamuka , Levy Ronald
Published: August 2016

Allosteric HIV‐1 integrase (IN) inhibitors (ALLINIs) bind at the dimer interface of the IN catalytic core domain (CCD), and potently inhibit HIV‐1 by promoting aberrant, higher‐order IN multimerization. Little is known about the structural organization of the inhibitor‐induced IN multimers and important questions regarding how ALLINIs promote aberrant IN multimerization remain to be answered. On the basis of physical chemistry principles and from our analysis of experimental information, we propose that inhibitor‐induced multimerization is mediated by ALLINIs directly promoting inter‐subunit interactions between the CCD dimer and a C‐terminal domain (CTD) of another IN dimer. Guided by this hypothesis, we have built atomic models of inter‐subunit interfaces in IN multimers by incorporating information from hydrogen‐deuterium exchange (HDX) measurements to drive protein‐protein docking. We have also developed a novel free energy simulation method to estimate the effects of ALLINI binding on the association of the CCD and CTD. Using this structural and thermodynamic modeling approach, we show that multimer inter‐subunit interface models can account for several experimental observations about ALLINI‐induced multimerization, including large differences in the potencies of various ALLINIs, the mechanisms of resistance mutations, and the crucial role of solvent exposed R‐groups in the high potency of certain ALLINIs. Our study predicts that CTD residues Tyr226, Trp235 and Lys266 are involved in the aberrant multimer interfaces. The key finding of the study is that it suggests the possibility of ALLINIs facilitating inter‐subunit interactions between an external CTD and the CCD‐CCD dimer interface.
Influence of post‐deposition annealing on electrical and optical properties of ZnO‐based TCOs deposited at room temperature
Authors: Lyubchyk Andriy , Vicente António , Alves Pedro U. , Catela Bruno , Soule Bertrand , Mateus Tiago , Mendes Manuel J. , Águas Hugo , Fortunato Elvira , Martins Rodrigo
Published: August 2016

The post‐deposition modification of ZnO‐based transparent conductive oxides (TCOs) can be the key to produce thin films with optoelectronic properties similar to indium tin oxide (ITO), but at a much lower cost. Here, we present electro‐optical results achieved for post‐deposition annealing of Al–Zn–O (AZO), AZO:H, Ga–Zn–O:H (GZO:H), and Zn–O:H (ZNO:H) thin films deposited by RF sputtering at room temperature. These studies comprise results of thermal annealing at atmospheric pressure, vacuum, forming gas, H2 and Ar atmospheres, and H2 and Ar plasmas, which lead to significant enhancement of their electro‐optical properties, which are correlated to morphological and structural improvements. The post‐deposition annealing leads to an enhancement in resistivity above 40% for AZO, AZO:H, and GZO:H, reaching ρ ≈ 2.6–3.5 × 10−4 Ωcm, while ZnO:H showed a lower improvement of 13%. The averaged optical transmittance in the visible region is about 89% for the investigated TCOs. Such results match the properties of state‐of‐art ITO (ρ ≈ 10−4 Ωcm and transmittance in VIS range of 90%) employing much more earth‐abundant materials.
Carbon concentration measurement in silicon down to 1014 cm‐3: second generation IR, SIMS, CPAA and standardization
Authors: Inoue Naohisa
Published: August 2016

Carbon concentration ([C]) measurement down to 1×1014 cm‐3 was examined by infrared absorption spectroscopy (IR), secondary ion mass spectroscopy (SIMS) and charged particle activation analysis (CPAA). In IR, the reference problem and the phonon problem were solved. By electron irradiation, substitutional carbon Cs was converted to IR insensitive interstitial carbon Ci. A reference with [C] of about 1×1014 cm‐3 which was accurately estimated was produced. Dip and protrusion around the carbon absorption line in the [C] 1014 cm‐3 range were identified and a way to cancel them was established. These techniques were transferred to many silicon crystal vendors, IR machine vendors and measurement service companies. SIMS and CPAA measurements were done on the samples measured by IR. The cross calibration was done at [C] = 5×1014 cm‐3 and is continued down to 1×1014 cm‐3. Electron irradiation to completely remove Cs provides the ideal reference containing effectively no carbon, a new technique to measure the absolute carbon content, and a standard sample for calibration of SIMS and CPAA. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Enhancement of the magneto‐optical effects by bismuth in Heusler compound: A first‐principle study
Authors: Eithiraj R. D. , Geethalakshmi K. R.
Published: August 2016

The structural, magnetic and optical properties of Rh2MnAl and Rh2MnBi Heusler alloys have been studied through the full potential linearized augmented plane wave (FP‐LAPW) method. The exchange‐correlation potential was treated within the generalized gradient approximation (GGA). The effect of the magnetic ordering, i.e. ferromagnetic (FM) and antiferromangnetic (AFM) along [001] and [111] crystal axis on the dielectric functions is revealed. Our calculations show that the Kerr rotation and elipticity is enhanced within 0‐8 eV energy range by the substitution of Al by semimet al.
Consensus of multi‐agent systems with time‐varying topology: An event‐based dynamic feedback scheme
Authors: Zhu Wei , Li Huaqing , Jiang Zhong‐Ping
Published: August 2016

The event‐based control strategy is an effective methodology for reducing the controller update and communication over the network. In this paper, the event‐based consensus of multi‐agent systems with linear dynamics and time‐varying topology is studied. For each agent, a state‐dependent threshold with an exponentially decaying bound is presented to determine the event times, and a new event‐based dynamic feedback scheme is proposed. It is shown that the controller update for each agent is only dependent on its own event times, which reduces significantly the controller update or computation for each agent. Moreover, based on the event‐based dynamic feedback scheme and the event triggering function presented in this paper, the continuous communication among neighboring agents is avoided, and the Zeno‐behavior of the closed‐loop systems is excluded. A numerical example is given to illustrate the effectiveness of theoretical results. Copyright © 2016 John Wiley & Sons, Ltd.