bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regression‐based machine‐learning approaches to predict task activation using resting‐state fMRI
Authors: Cohen Alexander D. , Chen Ziyi , Parker Jones Oiwi , Niu Chen , Wang Yang 
Published: October 2019

AbstractResting‐state fMRI has shown the ability to predict task activation on an individual basis by using a general linear model (GLM) to map resting‐state network features to activation z‐scores. The question remains whether the relatively simplistic GLM is the best approach to accomplish this prediction. In this study, several regression‐based machine‐learning approaches were compared, including GLMs, feed‐forward neural networks, and random forest bootstrap aggregation (bagging). Resting‐state and task data from 350 Human Connectome Project subjects were analyzed. First, the effect of the number of training subjects on the prediction accuracy was evaluated. In addition, the prediction accuracy and Dice coefficient were compared across models. Prediction accuracy increased with the training number up to 200 subjects; however, an elbow in the prediction curve occurred around 30–40 training subjects. All models performed well with correlation matrices, which displayed correlation between actual and predicted task activation for all subjects, exhibiting a strong diagonal trend for all tasks. Overall, the neural network and random forest bagging techniques outperformed the GLM. These approaches, however, require additional computing power and processing time. These results show that, while the GLM performs well, resting‐state fMRI prediction of task activation could benefit from more complex machine learning approaches.
A quantitative evaluation of the use of medical lasers in German hospitals
Authors: Späth Moritz , Klämpfl Florian , Stelzle Florian , Hohmann Martin , Lengenfelder Benjamin , Schmidt Michael 
Published: October 2019

AbstractThe laser has become an integral part of modern medicine, procedures based on this technique have found their way into a multitude of medical disciplines. There is, however, no data available on the detailed quantitative development of laser use in the medical sector. This fact gave rise to the idea of the present study, which analyzed the raw data of the quality report of German hospitals with respect to this subject. Over the 9 years of report, a steady increase in the cumulative number of cases was evident, although not all body regions in which the medical laser is used followed this trend. The CO2 laser was found to be the most commonly applied laser, even though a large spectrum of different laser types is used. Based on the present study, the importance of the laser for medical purposes can be confirmed.
One‐pot synthesis of 3‐(sulfonyl)‐5,6,7,8‐tetrahydro‐4H‐pyrano[3,2‐c]pyridines through a cascade Michael/cyclization reaction
Authors: Wang Dao‐Cai , Ma Fei , Xiao Qiang , Zhang Chi , Huang Mian , Liu Xiao‐Peng 
Published: October 2019

AbstractIn this paper, a straightforward and valid three‐component Michael/cyclization reaction of (E)‐1‐methyl‐3‐(arylidene)piperidin‐4‐ones, 2‐(sulfonyl)acetonitriles, and aromatic aldehydes was explored for the preparation of potentially biologically active 3‐(sulfonyl)‐5,6,7,8‐tetrahydro‐4H‐pyrano[3,2‐c]pyridines under mild reaction conditions. More diverse 3‐(sulfonyl)‐5,6,7,8‐tetrahydro‐4H‐pyrano[3,2‐c]pyridine derivatives were constructed in satisfactory yields (up to 97%). The chemical structure of newly synthesized 3‐(sulfonyl)‐5,6,7,8‐tetrahydro‐4H‐pyrano[3,2‐c]pyridines were identified with 1H‐NMR, 13C‐NMR, and mass spectrometry analysis. The recommendable method features a simple and direct workup, easy access to initial materials, high atom utilization efficiency, high final product yields, and a wide range of substrate adaptability.
Vapor–liquid and chemical equilibria model for formaldehyde–trioxane–sulfuric acid–water mixtures
Authors: Jiang Siqi , Zhang Xianming , Hu Yufeng , Yin Liuyi , Qi Jianguang , Ren Chunxiao , Mo Shuqin 
Published: October 2019

AbstractBACKGROUNDTrioxane (C3H6O3) is industrially produced from aqueous formaldehyde (HCHO) solutions through catalytic distillation catalyzed by sulfuric acid (H2SO4). Optimizing industrial process of the synthesis and developing new catalysts require a reliable model for the vapor–liquid equilibria in reaction mixture HCHO–C3H6O3–H2SO4– H2O and a deep understanding of the role of H2SO4 in the industrial production of trioxane.RESULTSHere the Maurer and co‐workers's model and the LIFAC model along with their model parameters were invoked to develop such a model. The vapor–liquid equilibrium data in HCHO–C3H6O3–H2SO4–H2O and HCHO–salt–H2O were systematically measured and utilized to determine the newly introduced model parameters. The model thus‐established provides a reliable method for calculating and predicting the vapor–liquid and chemical equilibria data in HCHO–C3H6O3–H2SO4– H2O and HCHO–salt–H2O.CONCLUSIONSThe prediction results uncover that, in addition to its ability to accelerate the reaction, the catalyst H2SO4 has strong abilities to increase the activity of ‘real’ reactant for trioxane synthesis and to promote the phase separation that is very important for drastically increasing the yield of trioxane, reducing the energy requirement for the trioxane synthesis, and decreasing the formation of the by‐product formic acid. © 2019 Society of Chemical Industry
Application of artificial intelligence algorithms on modeling of reflection phase characteristics of a nonuniform reflectarray element
Authors: Mahouti Peyman 
Published: October 2019

AbstractReflectarray antennas (RAs) have the ability to combine the advantages of both traditional parabolic reflector and phased array antennas without the need for feed network designs. Microstrip reflectarrays (MRAs) have the advantages of being small size, light weighted, easy to prototyped, high gain, low side‐lobe level, and a predetermined radiation pattern. These can be achieved by precise calculation of reflection phase at each RA unit independently with a phase compensation proportional to the distance from the feed. The challenging problem is to have a fast and high accurate unit element to be used in multidimension, multiobjective design optimization. Herein, artificial intelligence algorithms (AIAs) have been used for prediction of reflection phase characterization of an X band MRA unit element with respect to the geometrical design parameters. Firstly, a nonuniform unit RA has been designed in 3D electromagnetic (EM) simulation tool for creating the training validation data sets. Then, the data sets are given to the different types of AIA regression models such as multilayer perceptron, symbolic regression, and convolutional neural network. From the results of the validation data set, it can be concluded that the proposed models have sufficient accuracy that can be used in a computationally efficient design optimization process of a large‐scale RA design.
Declining U.S. regional and continental trends in intra‐annual and interannual extreme temperature swings
Authors: DeGaetano Arthur T. , Lim Li‐Sha 
Published: October 2019

ABSTRACTThe occurrence of regional temperature extremes on weekly to seasonal time scales has been a common climate impact in recent decades. Both instances of extreme warmth and extreme cold have been documented and analysed in the literature. While these events have most often been analysed independently, in this study, the transition between temperature extremes is examined using station data. Five measures of extreme temperature change are examined. At stations across the United States, there has been a significant decrease in the temperature difference between the warmest and coldest percentile observed within each year based on 7‐, 30‐ and 90‐day temperature averages during both the 1900–2017 and 1950–2017 periods. The maximum difference between percentiles associated with adjacent 7‐, 30‐ and 90‐day periods in each year has also declined significantly. At the same time, the interval between the highest and lowest annual percentile occurrence has lengthened. On a decadal basis, the frequency of shifts from the sub‐5th to over‐95th temperature percentiles has also declined through time, while the average time period between temperature occurrences in opposite tails of the distribution has increased. In general, these results are very consistent across the United States, although some regional‐ and duration‐dependent differences are noted. For many of the extreme temperature metrics, a high level of field significance is obtained in the Southwest, Great Plains and Midwest regions.
Volume‐Based Feeding Enhances Enteral Delivery by Maximizing the Optimal Rate of Enteral Feeding (FEED MORE)
Authors: Holyk Amanda , Belden Valerie , Sirimaturos Michael , Chiles Kathryn , Fontenot Nicole , Lista Annette , Broadway Mary K. , Leon Raul Sanchez 
Published: October 2019

AbstractBackgroundThe importance of enteral nutrition (EN) in critically ill patients is well documented. However, actual administration of EN frequently does not amount to prescribed nutrition goals. Persistent underfeeding may lead to impaired immune response, increased mortality, and higher costs. Traditionally, EN uses a rate‐based approach, utilizing slow titration to goal and a final fixed hourly rate, regardless of interruptions in feeding. Volume‐based feeding (VBF) establishes a 24‐hour EN goal volume, and the rate varies to achieve this daily goal when interruptions occur.Materials and MethodsThis was a retrospective, single‐center, quasi‐experimental study comparing traditional rate‐based feeding (RBF) to VBF in adult patients admitted to the medical and neurosurgical intensive care units (ICUs). The primary outcome was mean percentage of total goal energy received after EN initiation until 7 days, transfer from ICU, removal of feeding tube, or oral diet order placed. Secondary outcomes included mean percentage of total goal protein received, percentage of patients meeting 80% of nutrition goals, incidence of gastric residual volumes >400 mL, and incidence of moderate hyperglycemia (>250 mg/dL).ResultsThe study enrolled 189 patients. Mean percentage of goal energy delivered (75% RBF, 102% VBF; P < .001) and goal protein delivered (68% RBF, 87% VBF; P < .001) was significantly higher with VBF compared with RBF.ConclusionVBF demonstrated a significant increase in energy and protein delivery with no major safety or tolerability issues. VBF should be considered for use in ICU patients to optimize nutrition delivery.
Activation Energy for Dissociation of Hydrogen‐Bonding Crosslinkers in Phase‐Change Salogels: Dynamic Light Scattering versus Rheological Studies
Authors: Karimineghlani Parvin , Sukhishvili Svetlana A. 
Published: October 2019

AbstractDissociation energy of dynamic bonds in thermoresponsive phase‐change salogels is explored using rheology and dynamic light scattering (DLS). The salogels are formed by polyvinyl alcohol (PVA) reversibly crosslinked by hydrogen‐bonding amine‐terminated molecules in an inorganic phase‐change material—lithium nitrate trihydrate (LNH) salt—as a solvent. The crosslinker geometry (linear vs branched) has a strong effect on both the gelation temperature (Tgel) and the crosslinker to polymer ratio at which the gelation occurs. Due to their higher functionality, dendritic crosslinkers are more efficient gelators as compared to their linear counterparts, inducing PVA gelation at a lower concentration of a crosslinker and resulting in salogels with higher Tgel. Both stress relaxation and DLS data can be fitted by the exponential functions with temperature‐independent exponents of ≈0.5 and 2, respectively. For the first time, it is reported that the crosslinker dissociation activation energy determined from the rheological stress relaxation time and DLS slow mode decay time are in very good agreement, comprising ≈130–140 kJ mol−1 for salogels with both linear and dendritic crosslinkers.
Model completion of scaled lattices and co‐Heyting algebras of p‐adic semi‐algebraic sets
Authors: Darnière Luck 
Published: October 2019

AbstractLet p be prime number, K be a p‐adically closed field, a semi‐algebraic set defined over K and the lattice of semi‐algebraic subsets of X which are closed in X. We prove that the complete theory of eliminates quantifiers in a certain language , the ‐structure on being an extension by definition of the lattice structure. Moreover it is decidable, contrary to what happens over a real closed field for . We classify these ‐structures up to elementary equivalence, and get in particular that the complete theory of only depends on m, not on K nor even on p. As an application we obtain a classification of semi‐algebraic sets over countable p‐adically closed fields up to so‐called “pre‐algebraic” homeomorphisms.
Lower bound of measure and embeddings of Sobolev, Besov and Triebel–Lizorkin spaces
Authors: Karak Nijjwal 
Published: October 2019

AbstractIn this article, we study the relation between Sobolev‐type embeddings for Sobolev spaces or Hajłasz–Besov spaces or Hajłasz–Triebel–Lizorkin spaces defined on a doubling and geodesic metric measure space and lower bound for measure of balls either in the whole space or in a domain inside the space.
Gain of function in somatic TP53 mutations is associated with immune‐rich breast tumors and changes in tumor‐associated macrophages
Authors: Behring Michael , Vazquez Ana I. , Cui Xiangqin , Irvin Marguerite R. , Ojesina Akinyemi I. , Agarwal Sumit , Manne Upender , Shrestha Sadeep 
Published: October 2019

AbstractBackgroundSomatic mutations in TP53 are present in 20%–30% of all breast tumors. While there are numerous population‐based analyses of TP53, yet none have examined the relationship between somatic mutations in TP53 and tumor invasive immune cells.MethodsClinical and genetic data from 601 women drawn from The Cancer Genome Atlas (TCGA) were used to test the association between somatic TP53 mutation and immune‐rich or immune‐poor tumor status; determined using the CIBERSORT‐based gene expression signature of 22 immune cell types. Our validation dataset, the Molecular Taxonomy of Breast Cancer International Consortium (METABRIC), used a pathologist‐determined measure of lymphocyte infiltration.ResultsWithin TP53‐mutated samples, a mutation at codon p.R175H was shown to be present at higher frequency in immune‐rich tumors. In validation analysis, any somatic mutation in TP53 was associated with immune‐rich status, and the mutation at p.R175H had a significant association with tumor‐invasive lymphocytes. TCGA‐only analysis of invasive immune cell type identified an increase in M0 macrophages associated with p.R175H.ConclusionsThese findings suggest that TP53 somatic mutations, particularly at codon p.R175H, are enriched in tumors with infiltrating immune cells. Our results confirm recent research showing inflammation‐related gain of function in specific TP53 mutations.
An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery
Authors: Iwata Hiroaki , Kojima Ryosuke , Okuno Yasushi 
Published: October 2019

AbstractPhenotypic and target‐based approaches are useful methods in drug discovery. The phenotypic approach is an experimental approach for evaluating the phenotypic response. The target‐based approach is a rational approach for screening drug candidates targeting a biomolecule that causes diseases. These approaches are widely used for drug discovery. However, two serious problems of target deconvolution and polypharmacology are encountered in these conventional experimental approaches. To overcome these two problems, we developed a new in silico method using a probabilistic framework. This method integrates both the phenotypic and target‐based approaches to estimate a relevant network from compound to phenotype. Our method can computationally execute target deconvolution considering polypharmacology and can provide keys for understanding the pathway and mechanism from compound to phenotype, thereby promoting drug discovery.
A quad‐band Sierpenski based fractal antenna fed by co‐planar waveguide
Authors: Mungaru Nanda kumar , Yogaprasad Kalavagunta , Anitha Vaddinuri Rajareddy 
Published: October 2019

AbstractIn this article, A Sierpenski based octagonal carpet fractal antenna is introduced for quad‐band applications. The proposed antenna developed with FR‐4 substrate material with relative permittivity of 4.4, thickness chosen is 1.6 mm and co‐planar waveguide feed is used in this design. The antenna is designed, simulated with computer simulation technology studio suite, printed and tested. The measurement results of proposed antenna resonates at 2.4, 4.45, 9.1, 10.24, 12.46 GHz and are well suited for C‐band(2.4 GHz), L‐band (4.45 GHz), X‐band (9.1 GHz, 10.24 GHz), Ku‐band (12.46 GHz) applications. Good agreement between the results of simulation and measurement is observed with applications.
Mechanochemical Preparations of Anion Coordinated Architectures Based on 3‐Iodoethynylpyridine and 3‐Iodoethynylbenzoic Acid
Authors: Morin Vincent M. , Szell Patrick M. J. , Caron‐Poulin Estelle , Gabidullin Bulat , Bryce David L. 
Published: October 2019

AbstractInvited for this month's cover picture is the group of Professor David Bryce at the University of Ottawa. The cover picture shows a stylized depiction of the mechanochemical halogen‐bond induced cocrystallization of 3‐iodoethynylpyridine with tetraphenylphosphonium bromide. Read the full text of their Full Paper at 10.1002/open.201900194.
Preparation and characterization of polymethacrylamide/halloysite composites
Authors: Eser Nihal , Önal Müşerref , Çelik Meltem , Pekdemir Abdullah Devrim , Sarıkaya Yüksel 
Published: October 2019

ABSTRACTMethacrylamide (MAA) including halloysite (H) with different contents was polymerized in aqueous medium with the in situ technique by using benzoyl peroxide as a radical initiator. Halloysite, polymethacrylamide (PMAA), and prepared composites were examined with X‐ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and differential thermal analysis (DTA), and nitrogen adsorption/desorption (N2‐AD) techniques. The XRD results showed that the crystal structure of halloysite unchanged by the formation of the composites, but completely transformed to the metahalloysite. The SEM images exhibited that the composites have a spongy and porous‐shaped morphology. The TEM view revealed that the halloysite particles distributed in the PMAA of both fiber bundle and exfoliated forms. Thermal analysis demonstrated the improved thermal stability of composites relative to the pure PMAA due to the incorporated halloysite. Furthermore, surface area, micro‐ and mesopore volume, and moisture retentions of the composites decreased with increasing PMAA content.
Postpartum screening for diabetes in women diagnosed with gestational diabetes mellitus: a re‐audit
Authors: Uzoh Oby T , Wilson Debbie , Sagi Satyanarayana V , Samyraju Manjula , Oyibo Samson O 
Published: October 2019

AbstractThe majority of women with gestational diabetes mellitus (GDM) have transient hyperglycaemia during pregnancy, but up to 50% develop diabetes within five years postpartum. Early diagnosis and timely intervention reduce long‐term morbidity and mortality. Women who have had GDM should have screening for diabetes mellitus according to NICE guidelines. Our previous audits in 2015 and 2016 revealed that only 44% and 33% of women had postpartum screening, respectively. We therefore, changed to glycated haemoglobin testing at 13–24 weeks postpartum, providing a request form and telephone‐reminder calls to patients. After this intervention, we aimed to re‐audit postpartum screening for diabetes in these women.We undertook a retrospective audit looking at postpartum screening for diabetes in 147 women diagnosed with GDM who delivered during the year August 2017 to July 2018.The results showed that 106 patients (72.1%) had postpartum screening for diabetes (one‐fifth of these were done too early and two tests were done after six months postpartum). Therefore, 83 patients did their screening test at the appropriate time, of which eight results (9.6%) indicated high‐risk for diabetes (pre‐diabetes) and two results (2.4%) indicated diabetes.This audit demonstrates that while there is still room for improvement there was a markedly increased take up of postpartum screening for diabetes in women who have had GDM. This was due to a change in practice, which we hope will provide a stimulus for change in other centres and, most importantly, aid in the prevention and incidence reporting of diabetes after GDM. Copyright © 2019 John Wiley & Sons. Practical Diabetes 2019; 36(5): 162–164
Pregnancy in women with diabetes or with gestational diabetes: a primary care perspective
Authors: King Paru 
Published: October 2019

AbstractDiabetes and pregnancy is regarded as a secondary care responsibility but, with 5% of pregnancies complicated by pre‐existing or gestational diabetes, an individual practice is likely to see some of these women every year. This article considers the issues surrounding the preconception, antenatal and postnatal care of women with diabetes and gestational diabetes, and considers their management from a primary care perspective. Copyright © 2019 John Wiley & Sons. Practical Diabetes 2019; 36(5): 171–176
Theoretical exploration about the ESIPT mechanism and hydrogen bonding interaction for 2‐(3,5‐dichloro‐2‐hydroxy‐phenyl)‐benzoxazole‐6‐carboxylicacid
Authors: Wang Lifei , Wang Yan , Zhang Qin , Zhao Juan 
Published: October 2019

AbstractExcited state hydrogen bonding interactions and the excited state dynamical behaviors are of paramount importance in the photochemical and photophysical fields. In the present work, based on density functional theory and time‐dependent density functional theory methods, we theoretically explore the excited state hydrogen bonds and excited state intramolecular proton transfer (ESIPT) mechanism for the novel 2‐(3,5‐dichloro‐2‐hydroxy‐phenyl)‐benzoxazole‐6‐carboxylicacid (DHPB) system. Firstly, comparing the non‐hydrogen bond DHPB‐O form with DHPB, we confirm the formation of hydrogen bond in DHPB molecule in the S0 state. Upon the investigations about the stable excited state structure (ie, geometrical parameter, infrared vibrational spectra, and simulated bond energy), we verify that intramolecular hydrogen bond OH···N should be strengthened in the first excited state. The simulated hydrogen bonding energy via constructing potential energy curves further confirms the strengthening phenomenon of OH···N for DHPB system. In view of photoexcitation, the charge redistribution around hydrogen bonding moieties reveals that the increased electronic densities facilitate attracting hydrogen proton. On the basis of B3LYP, Cam‐B3LYP, and PBE0 functionals, we further construct the potential energy surfaces along with ESIPT reaction path, which demonstrates that the ESIPT process is ultrafast because of the low potential barrier. It explains the reason about why the normal fluorescence cannot be observed in previous experimental phenomenon. This work fills vacancy of ESIPT mechanism for DHPB system and presents the unambiguous dynamical behavior legitimately.