bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring effects of the trifluoromethyl substituent on the chemoselectivity and regioselectivity of [3+2] cycloadditions of thiocarbonyl S‐methanides with α, β‐unsaturated ketones
Authors: Hosseini Seyed J. 
Published: November 2019

AbstractA [3+2] cycloaddition (32CA) reaction between a thiocarbonyl ylide (TCY 2) and an electron‐deficient enone (TFB 3) in tetrahydrofuran (THF) was studied in the light of molecular electron density theory at the DFT‐B3LYP/6‐31G(d) computational level to probe energetics and selectivities. The reaction was investigated in four competitive reaction paths associated with the CC and CO chemoselectivities inTFB 3. An analysis of the density functional theory‐based reactivity indices shows thatTCY 2is a strong nucleophile, andTFB 3is also a strong electrophile. Although both C4─C5 and C6─O7 double bonds ofTFB 3can potentially be involved in 32CA reaction towardTCY 2, computed relative Gibbs free energies obviously demonstrate that C6─O7 involvement in a quite regioselective manner is entirely preferred over the C4─C5 one in an excellent agreement with the chemoselectivity and regioselectivity observed experimentally. Interestingly, such a chemoselectivity could not be rationalized through assessment of the electrophilic Parr functions calculated at the C4, C5, C6, and O7 centers ofTFB 3. The global electron density transfer value, 0.31e, calculated at the most energetically preferred transition state structureTS 1involved within the C6─O7 chemoselective reaction channel demonstrates that thispseudodiradicaltype (pdr‐type) 32CA reaction has a notable polar character.
A novel mutation Gly222Arg in PROS1 causing protein S deficiency in a patient with pulmonary embolism
Authors: Xu Jingqing , Peng Gehong , Ouyang Yao 
Published: November 2019

AbstractBackgroundThrombophilia is becoming a more frequently reported disorder these years. Hereditary protein S deficiency is one of the anticoagulant deficiencies that eventually results in thrombophilia.Case presentationA 24‐year‐old male patient was suffering from unexplained thrombosis for the second time with a family history of deep venous thrombosis. Screening tests for anticoagulant proteins found the activity of protein S markedly lowered (5.0%). The patient was discharged after anticoagulation treatment. Four years later, the review still showed the activity of protein S in his plasma decreased (16.0%). Molecular genetic analysis revealed him homozygous for a missense mutation, c.664G>A, in the exon7 of PROS1. The mutation discovered here is the first mutation affecting the codon 222 of PROS1. This mutation results in the replacement of the glycine at the codon 222 of protein S with arginine, leading to a reduction of protein S function.ConclusionsThe finding of this mutation may help with the understanding of the mechanism of protein S deficiency, especially in the Chinese population.
Trends in downward surface shortwave radiation from multi‐source data over China during 1984–2015
Authors: Zhou Zhigao , Lin Aiwen , Wang Lunche , Qin Wenmin , zhong Yang , He Lijie 
Published: November 2019

AbstractThe clear knowledge of decadal variability of surface solar radiation (SSR) is of vitally significant for understanding hydrological and biological processes and climate prediction. However, existing studies have shown observed SSR over China may have large discrepancies and inhomogeneity in decadal variability due to sensitivity drift, inaccurate calibrations and instrument replacement. Therefore, a new procedure of station selection was proposed to eliminate errors and to derive “true” SSR values in this study. Afterward, two satellite retrieves of SSR, including Clouds and the Earth's Radiant Energy System‐energy balanced and filled product (CERES‐EBAF) (edition 4) and Global Energy and Water Cycle Experiment‐Surface Radiation Budget (GEWEX‐SRB) (Version 3.0), and three reanalysis products, including National Centers for Environmental Prediction‐National Center for Atmospheric Research (NCEP‐NCAR), national centers for environmental prediction‐/department of energy (NCEP‐DOE) and Modern‐Era Retrospective analysis for Research and Applications, version 2 (MERRA‐2) were evaluated using “true” SSR values at 39 homogeneous stations from the China Meteorological Administration and it was found that although all five products overestimated SSR, two satellite retrieves showed better accuracy with an overall R of 0.95, an root mean squared error (RMSE) of 20.4 W m−2 and mean absolute bias error (MAE) of 14.9 W m−2 for CERES‐EBAF and an overall R of 0.92, an RMSE of 27.7 W m−2 and MAE of 21.2 W m−2 for GEWEX‐SRB across China. Meanwhile, inter‐comparisons between trends of observations and trends of two satellite retrieves in this study showed that the new trends derived from two satellite retrieves (+0.78 W m−2 decade−1) were good agreement with trends of observation (+0.92 W m−2 decade−1) from 1994 to 2015. However, trends of SSR (+5.8 W m−2 decade−1) in situ measurements were still in disagreement with the trends of SSR (−3.7 W m−2 decade−1) derived from two satellite retrieves from 1984 to 1993 because of the sensitivity drift and instrument replacement in this period. The possible reasons for decadal variability of SSR in China were detected and it was found that variations in aerosol optical depth (AOD) and aerosol‐cloud interaction, rather than cloud, were suggested to be likely the main influencing factor of decadal variability of SSR across China from 1984 to 2015.
Factors affecting the choice of interaction after the international joint venture termination in Africa: Total interpretive structural modeling
Authors: Parameswar Nakul , Dhir Sanjay 
Published: November 2019

AbstractThe choice of interaction after the international joint venture (IJV) termination is influenced by different factors in varying levels that can be hierarchically depicted. On IJV termination, parent firms are deprived of value created during IJV. Parent firms can attempt to create a whole or part of the value created during IJV through an interaction post IJV termination. This study attempts to identify factors that influence the choice of interaction post IJV termination and categorize them hierarchically based on their magnitude of influence. This study examines the factors that influence the decision to interact post IJV termination by developing a total interpretive structural model (TISM) using data collected from managers of terminated IJV in Africa.
Polyethyleneimine‐modified porous aromatic framework and silane coupling agent grafted graphene oxide composite materials for determination of phenolic acids in Chinese Wolfberry drink by HPLC
Authors: Lv Yaying , Zhu Tao 
Published: November 2019

AbstractA simple method for the determination of phenolic acids in Chinese Wolfberry drink based on polyethyleneimine modified porous aromatic framework and graphene oxide composite sorbent for pipette‐tip solid‐phase extraction was developed. Porous aromatic framework and raphene oxide composite materials were grafted by silane coupling agent (3‐Chloropropyl)‐trimethoxysilane. The modified materials were characterized by five kinds of characterization. Experimental results showed that the prepared p‐phenylenediamine, cyanuric chloride, and graphene oxide composite material had a loose structure combined with the framework which improved hydrophobicity, and polyethyleneimine to increase the selectivity with the targets. The parameters of the pipette‐tip solid‐phase extraction procedure including the amount of sorbents, volumes and types of washing solvents and elution solvents were optimized to achieve optimal extraction efficiency. Good linearity of best material was achieved in the range of 0.1–400 µg/mL with correlation coefficient of chlorogenic acid (0.9994), caffeic acid (0.9997), and ferulic acid (0.9998). Recoveries between 93.5 and 102.3% were obtained at three spiked levels with relative standard deviation ≤3.1%. The proposed method was successfully applied for the determination of phenolic acids in Chinese Wolfberry drink sample.
Season and Cooking May Alter Fatty Acids Profile of Polar Lipids from Blue‐Back Fish
Authors: Farabegoli Federica , Nesci Salvatore , Ventrella Vittoria , Badiani Anna , Albonetti Sabrina , Pirini Maurizio 
Published: November 2019

AbstractPolar lipids (PoL) represent a new promising dietary approach in the prevention and treatment of many human diseases, due to their potential nutritional value and unique biophysical properties. This study investigates the effects of catching season and oven baking on the fatty acid profiles (FAP) of PoL in four species of blue‐back fish widely present in the North Adriatic Sea: anchovy (Engraulis encrasicholus), sardine (Sardina pilchardus), sprat (Sprattus sprattus), and horse mackerel (Trachurus trachurus). PoL levels (427–652 mg/100 g flesh) varied among the four species, with no significant seasonal variations within species. FAP of raw fillets were particularly high in polyunsaturated fatty acid (PUFA), especially docosahexaenoic acid (DHA) and EPA; total PUFA was constant in all species throughout the year, while long‐chain n‐3 polyunsaturated fatty acid (n‐3 PUFA) rose in spring (except in sprat), especially due to the contribution of DHA. The FAP response for PoL to oven baking was species‐specific and, among n‐3 PUFA, DHA exhibited the greatest heat resistance; the influence of oven baking on FAP was found to be correlated with the catching season, especially for anchovy and sardine, while sprat PoL were not affected by cooking processes. The four species analyzed in this study presented very low n‐6/n‐3 fatty acid ratios and highly favorable nutritional indices, emphasizing their PoL qualities and promoting their role in increasing human n‐3 PUFA intake. The four species can be considered as superior sources of n‐3 PUFA and can be employed as supplements in functional food manufacturing and in pharmaceutical and cosmetic industries.
Seasons of Syn
Authors: Hunter‐Cevera Kristen R. , Neubert Michael G. , Olson Robert J. , Shalapyonok Alexi , Solow Andrew R. , Sosik Heidi M. 
Published: November 2019

AbstractSynechococcus is a widespread and important marine primary producer. Time series provide critical information for identifying and understanding the factors that determine abundance patterns. Here, we present the results of analysis of a 16‐yr hourly time series of Synechococcus at the Martha's Vineyard Coastal Observatory, obtained with an automated, in situ flow cytometer. We focus on understanding seasonal abundance patterns by examining relationships between cell division rate, loss rate, cellular properties (e.g., cell volume, phycoerythrin fluorescence), and environmental variables (e.g., temperature, light). We find that the drivers of cell division vary with season; cells are temperature‐limited in winter and spring, but light‐limited in the fall. Losses to the population also vary with season. Our results lead to testable hypotheses about Synechococcus ecophysiology and a working framework for understanding the seasonal controls of Synechococcus cell abundance in a temperate coastal system.
Contact lens‐type ocular in vivo dosimeter for radiotherapy
Authors: Kim Jung‐in , Cho Jin‐dong , Son Jaeman , Choi Chang Heon , Wu Hong‐Gyun , Park Jong Min 
Published: November 2019

PurposeThis study aimed to (a) develop a contact lens‐type ocular in vivo dosimeter (CLOD) that can be worn directly on the eye and (b) assess its dosimetric characteristics and biological stability for radiation therapy.MethodsThe molder of a soft contact lens was directly used to create the dosimeter, which included a radiation‐sensitive component — an active layer similar to a radiochromic film — to measure the delivered dose. A flatbed scanner with a reflection mode was used to measure the change in optical density due to irradiation. The sensitivity, energy, dose rate, and angular dependence were tested, and the uncertainty in determining the dose was calculated using error propagation analysis. Sequential biological stability tests, specifically, cytotoxicity and ocular irritation tests, were conducted to ensure the safe application of the CLOD to patients.ResultsThe dosimeter demonstrated high sensitivity in the low dose region, and the sensitivity linearly decreased with the dose. The responses obtained for the 10 and 15 MV photon beams were 1.7% and 1.9% higher compared to the 6 MV photon beam. A strong dose rate dependence was not obtained for the CLOD. Angular dependence was observed from 90° to 180° with a difference in response from 1% to 2%. The total uncertainty in error propagation analysis decreased as a function of the dose in the red channel. For a dose range of 0 to 50 cGy, the total uncertainties for 5, 10, and 50 cGy were 14.2%, 8.9%, and 5%, respectively. Quantitative evaluation using the MTT (3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide) method presented no cytotoxicity. Further, no corneal opacity, iris reaction, or conjunctival inflammation was observed.ConclusionsThe CLOD is the first dosimeter that can be worn close to the eye. The results of cytotoxicity and irritation tests indicate that it is a stable medical device. The evaluation of dose characteristics in open field conditions shows that the CLOD can be applied to an in vivo dosimeter in radiotherapy.
Flow quantification dependency on background phase correction techniques in 4D‐flow MRI
Authors: Callaghan Fraser M. , Burkhardt Barbara , Geiger Julia , Valsangiacomo Buechel Emanuela R. , Kellenberger Christian J. 
Published: November 2019

PurposeTo analyze the dependence of flow volume measurements on 3D cine phase‐contrast MRI (4D‐flow MRI) background phase correction.MethodsIn 31 subjects scanned on a 1.5T MRI scanner, flow volume measurements at 4 vessels were made using phantom corrected 2D phase contrast and 4D flow with background phase correction performed by linear, second, third, and fourth‐order polynomial fitting to static tissue. Variations in the amount and distribution of static tissue were made to investigate the influence on flow volume measurements.ResultsBland Altman comparison of 2D phase‐contrast and 4D‐flow measurements showed low bias (2.3%‐4.8%) and relatively large limits of agreement (13.5%‐17.6%). Approximately half of this was attributable to sequence and physiological differences between the 2 scan sequences, demonstrated by smaller limits of agreement (5.3%‐10.0%) when comparing 4D‐flow measurements with differing background phase corrections. Using only 20% of available static tissue points for polynomial fitting resulted in only 1% difference in flow volume measurements. Using asymmetrically distributed static tissue or including nonstatic tissue for polynomial fitting yielded highly variable differences in flow volume measurements, which became more variable with increased polynomial order. Completely asymmetric static tissue selection resulted in high deviations in flow volume measurements (mean > 7%, max = 345%).ConclusionComparisons between 2D phase‐contrast and 4D‐flow volume measurements should consider influences from sequence and physiological differences. A subset of static tissue points may be used with low impact on flow measurements, but should avoid the inclusion of nonstatic tissue and avoid asymmetric distribution. Higher‐order polynomial fits are more susceptible to inaccurate static tissue selection.
Early electrodiagnosis in the management of neonatal brachial plexus palsy: A systematic review
Authors: van der Looven Ruth , Le Roy Laura , Tanghe Emma , van den Broeck Christine , de Muynck Martine , Vingerhoets Guy , Pitt Matthew , Vanderstraeten Guy 
Published: November 2019

AbstractNeonatal brachial plexus palsy (NBPP) is a prominent form of newborn morbidity with a potentially disabling persistence. Neurosurgical intervention is indicated in select NBPP patients. Early prognostic assessment would facilitate rational selection of those infants for surgery. We conducted a systematic literature review to determine the prognostic value of early electrodiagnosis (EDx) in NBPP. We included 16 observational studies with a total sample size of 747 children. Risk of bias and quality of evidence were rated. Wide variation was found in EDx techniques, outcome algorithms, and decisionmaking. Nevertheless, the most methodologically sound studies support the use of EDx, at standardized time‐frames, as a key prognostic modality for complementing clinical judgment and neuroimaging. An accurate knowledge of the underlying anatomy of the nerve injury helps to counsel families and to guide reconstructive strategy.
Monitoring daily physical activity of upper extremity in young and adolescent boys with Duchenne muscular dystrophy: A pilot study
Authors: van der Geest Annette , Essers Johannes M. N. , Bergsma Arjen , Jansen Merel , de Groot Imelda J. M. 
Published: November 2019

AbstractIntroductionAccelerometry of the upper extremity (UE) potentially provides information on the extent of activities in daily life in patients with Duchenne muscular dystrophy (DMD). The objective of this study is to evaluate the validity of home measurements of UE accelerometry.MethodsThis was a cross‐sectional study in 16 patients with DMD (aged 7‐17 years). Patients were monitored for 1 to 3 days with two accelerometers on the UE and one accelerometer on the wheelchair.ResultsThe mean intensity of activity and the mean frequency of transfers of arm elevation from low to middle were approximately twofold higher in patients with a Brooke scale score of 1 or 2 than in patients with a Brooke scale score of 3 or 4. Correlations with the Performance of Upper Limb scale score were high for intensity and for the total frequency of arm elevations per hour.DiscussionIntensity, percentage of time in middle orientation, and frequency of transfers of the upper arm correlated well with functional measurements.
R1ρ sensitivity to pH and other compounds at clinically accessible spin‐lock fields in the presence of proteins
Authors: Owusu Nana , Johnson Casey P. , Kearney William , Thedens Dan , Wemmie John , Magnotta Vincent A. 
Published: November 2019

Numerous human diseases involve abnormal metabolism, and proton exchange is an effective source of magnetic resonance imaging (MRI) contrast for assessing metabolism. One MRI technique that capitalizes on proton exchange is R1 relaxation in the rotating frame (R1ρ). Here, we investigated the sensitivity of R1ρ to various proton‐exchange mechanisms at spin‐lock pulses within Food and Drug Administration (FDA) safety guidelines for radiofrequency‐induced heating. We systematically varied pH known to change the rate of proton exchange as well as the glucose and lysine concentrations, thus changing the number of amide, hydroxyl and amine exchangeable sites in a series of egg‐white albumin phantoms. The resulting effects on quantitative relaxation time measurements of R1ρ, R1 and R2 were observed at 3 T. Using spin‐lock amplitudes available for human imaging (less than 23.5 μT) at near physiologic temperatures, we found R1ρ was more sensitive to physiologic changes in pH than to changes in glucose and lysine concentrations. In addition, R1ρ was more sensitive to pH changes than R1 and R2. Models of proton exchange fitted to the relaxation measurements suggest that amide groups were the primary source of pH sensitivity. Together, these experiments suggest an optimal spin‐lock amplitude for measuring pH changes while not exceeding FDA‐subject heating limitations.
In fetuses with congenital lung masses, decreased ventricular and atrioventricular valve dimensions are associated with lesion size and clinical outcome
Authors: Mardy Christopher , Blumenfeld Yair J. , Arunamata Alisa A. , Girsen Anna I. , Sylvester Karl G. , Halabi Safwan , Rubesova Erika , Hintz Susan R. , Tacy Theresa A. , Maskatia Shiraz A. 
Published: November 2019

AbstractIntroductionThe clinical importance of mass effect from congenital lung masses on the fetal heart is unknown. We aimed to report cardiac measurements in fetuses with congenital lung masses and to correlate lung mass severity/size with cardiac dimensions and clinical outcomes.MethodsCases were identified from our institutional database between 2009 and 2016. We recorded atrioventricular valve (AVVz) annulus dimensions and ventricular widths (VWz) converted into z scores, ratio of aortic to total cardiac output (AoCO), lesion side, and congenital pulmonary airway malformation volume ratio (CVR). Respiratory intervention (RI) was defined as intubation, extracorporeal membrane oxygenation (ECMO), or use of surgical intervention prior to discharge.ResultsFifty‐two fetuses comprised the study cohort. Mean AVVz and VWz were below expected for gestational age. CVR correlated with ipsilateral AVVz (RS = −.59, P < .001) and ipsilateral VWz (−0.59, P < .001). Lower AVVz and AoCO and higher CVR were associated with RI. No patient had significant structural heart disease identified postnatally.ConclusionIn fetuses with left‐sided lung masses, ipsilateral cardiac structures tend to be smaller, but in our cohort, there were no patients with structural heart disease. However, smaller left‐sided structures may contribute to the need for RI that affects a portion of these fetuses.
Fetal cardiac rhabdomyomas treated with maternal sirolimus
Authors: Pluym Ilina D. , Sklansky Mark , Wu Joyce Y. , Afshar Yalda , Holliman Kerry , Devore Greggory R. , Walden Ayanna , Platt Lawrence D. , Krakow Deborah 
Published: November 2019

AbstractObjectiveTo review the pathophysiology of rhabdomyomas and the emerging option of prenatal treatment of fetal cardiac rhabdomyomas.MethodsWe present a case of fetal rhabdomyomas causing significant hemodynamic compromise that received in utero treatment of maternal sirolimus. Genetic amniocentesis confirmed a TSC2 mutation. A treatment program was initiated with a 10‐mg loading dose titrated to a goal maternal trough of 10 to 15 ng/dL. In order to follow fetal cardiac function, a sophisticated method of speckle tracking echocardiography was used before and after treatment. Obstetric ultrasound was used to monitor fetal growth, and clinical surveillance, echocardiography, and brain MRI were used to monitor postnatal growth and development through 6 months of neonatal life.ResultsSirolimus was initiated from 28 to 36 weeks of gestation with improvement of cardiac status. During this period, intrauterine growth restriction developed. Postnatally, the infant has had stable rhabdomyomas and cardiac function without reinitiating sirolimus. Brain MRI demonstrated scattered cortical tubers and subependymal nodules, and the infant has not had seizure‐like activity. At 6 months of age, the infant has achieved appropriate developmental milestones.ConclusionIn counseling cases of prenatal onset large obstructing rhabdomyomas and cardiac compromise, in utero sirolimus treatment can be considered.