bluuebunny/crossref_metadata_2025_split huggingface dataset:
Non‐Uniform‐Sampling Ultrahigh Resolution TOCSY NMR: Analysis of Complex Mixtures at Microgram Levels
Authors: Kakita Veera M. R. , Hosur Ramakrishna V. 
Published: April 2016

AbstractNon‐uniform sampling in combination with homonuclear broadband decoupling along an indirect dimension, and indirect covariance processing are used to record ultrahigh resolution two‐dimensional TOCSY spectra in less than half an hour, for typical sample concentrations in the mm range. TOCSY correlations belonging to protons separated by as little as ≈2 Hz can be distinctly discerned. The utility of the technique for low concentrations has been demonstrated.
s‐Triazine‐Based Functional Discotic Liquid Crystals: Synthesis, Mesomorphism and Photoluminescence
Authors: Veerabhadraswamy B. N. , Dambal Hashambi K. , Rao D. S. Shankar , Yelamaggad C. V. 
Published: April 2016

AbstractA new series of C3‐symmetric, π‐conjugated molecules was designed, synthesized and characterized. The materials were derived from electron‐accepting s‐triazine, appended covalently to electron‐donating styrylbenzene arms, and were readily prepared in excellent yield with high purity by means of three‐fold condensation of triphosphonate with n‐alkoxybenzaldehydes under Horner–Wadsworth–Emmons reaction conditions. Examination of the phase transitional properties by several complementary techniques evidenced self‐assembly into a hexagonal columnar phase, occurring over wide and reasonable thermal ranges. The photophysical properties were studied both in solution and in the fluid/frozen columnar states by UV/Vis absorption and photoluminescence spectroscopy. The emission spectra obtained as a function of the temperature rule out the breaking‐up of larger columns and a non‐radiative, thermally activated process. A study carried out on thin films of the glassy columnar state, which accounts for conserved fluorescence, defect‐free orientation, and freezing ionic species, with the help of atomic force microscopy (AFM) images, suggested a homogeneous granular morphology comprising fibrillar structures. Dissimilarities in the surface morphology and birefringence of thin films of the solid and frozen columnar states were clearly shown by Raman spectroscopy. An electrochemical investigation revealed a LUMO energy of −4.0 eV. Thus, the discotic motifs presented herein meet certain criteria of organic materials, which are essential for developing electronic devices.
Resolving Electronic Transitions in Synthetic Fluorescent Protein Chromophores by Magnetic Circular Dichroism
Authors: Štěpánek Petr , Cowie Thomas Y. , Šafařík Martin , Šebestík Jaroslav , Pohl Radek , Bouř Petr 
Published: April 2016

AbstractThe detailed electronic structures of fluorescent chromophores are important for their use in imaging of living cells. A series of green fluorescent protein chromophore derivatives is examined by magnetic circular dichroism (MCD) spectroscopy, which allows the resolution of more bands than plain absorption and fluorescence. Observed spectral patterns are rationalized with the aid of time‐dependent density functional theory (TDDFT) computations and the sum‐over‐state (SOS) formalism, which also reveals a significant dependence of MCD intensities on chromophore conformation. The combination of organic and theoretical chemistry with spectroscopic techniques also appears useful in the rational design of fluorescence labels and understanding of the chromophore's properties. For example, the absorption threshold can be heavily affected by substitution on the phenyl ring but not much on the five‐member ring, and methoxy groups can be used to further tune the electronic levels.
Modulation of Gas Sorption Properties through Cation Exchange within an Anionic Metal–Organic Framework
Authors: Huang Yong‐Liang , Jiang Long , Lu Tong‐Bu 
Published: April 2016

AbstractA novel 3D anionic metal–organic framework (MOF) of (Me2NH2)4[Ni8(PTCA)4(μ3‐OH)4(H2O)4](DMF)5(H2O)13 (H4PTCA=pyrene‐1,3,6,8‐tetracarboxylic acid) has been synthesized, in which Me2NH2+ can be exchanged by Li+ ions. The results of gas sorption measurements indicate that the desolvated MOFs both before and after Li+ exchange show highly selective adsorption for CO2 over CH4 and N2 gases, and the Li+‐exchanged MOF exhibits enhanced CO2, CH4, and H2 storage properties.
BAP1 Immunostain and CDKN2A (p16) FISH Analysis
Authors: Walts Ann E. , Hiroshima Kenzo , McGregor Stephanie M. , Wu Di , Husain Aliya N. , Marchevsky Alberto M. 
Published: April 2016

BackgroundLoss of BAP1 by immunohistochemistry (IHC) and CDKN2A(p16) deletion by fluorescence in situ hybridization (FISH) have been proposed to distinguish malignant mesothelioma (MM) from atypical reactive mesothelial proliferations (ARMP) in effusions but it is uncertain whether both tests are needed routinely.MethodsParaffin embedded blocks from 67 effusions (32 MM, 35 ARMP) were evaluated with BAP1 IHC. 38 of them (17 MM, 21 ARMP) were also analyzed with CDKN2A (p16) FISH. Criteria for MM were absence of BAP1 nuclear staining in >50% of atypical mesothelial cells in the presence of a positive internal control, and/or CDKN2A(p16) homozygous or hemizygous deletion pattern in >15% or >41.5% of atypical mesothelial cells, respectively. Sensitivity (SS), specificity (SP), positive, and negative predictive values (PPV, NPV) for MM were calculated.Results17 of 32 MM were correctly diagnosed by IHC (SS 53.1%, SP 85.7%, PPV 77.3%, NPV 64.3% for MM). In the subset of 38 cases studied by IHC and FISH, the SS, SP, PPV, and NPV of IHC for MM were 41.2, 81.0, 63.6, and 63.0%, respectively. 7 of 17 MM were diagnosed by FISH (SS 41.2%, SP 100%, PPV 100%, NPV 67.7% for MM).ConclusionBAP1 IHC and CDKN2A(p16) FISH yield similar sensitivities for MM in paired samples but FISH has a higher specificity. To diagnose effusions with atypical mesothelial cells, use of both tests is optimal. However, BAP1 IHC alone may be sufficient to diagnose MM when clinical, imaging, and cytological findings strongly suggest MM. Diagn. Cytopathol. 2016. © 2016 Wiley Periodicals, Inc. Diagn. Cytopathol. 2016;44:599–606. © 2016 Wiley Periodicals, Inc.
Syntheses of 2‐Benzylbenzofuran Derivatives and 2‐Aryl‐nitro­chroman Derivatives from Nitro­alkene Precursors
Authors: Huang Chia‐Yu , Kuo Chun‐Wei , Kavala Veerababurao , Yao Ching‐Fa 
Published: April 2016

AbstractSimple and straightforward methods for the synthesis of 2‐benzylbenzofuran, 3‐substituted 2‐benzylbenzofuran, and 2‐aryl‐nitrochroman derivatives are described. Benzofurans were generated from nitroalkenes by reduction with NaBH4 followed by a Nef reaction and acid‐mediated cyclization, whereas 3‐substituted 2‐benzylbenzofurans were prepared from nitroalkenes by reactions with Grignard reagents followed by a Nef reaction and an acid‐mediated cyclization in a one‐pot process. The synthesis of chromans involved a Knoevenagel condensation and the 1,4‐diazabicyclo[2.2.2]octane (DABCO) assisted cyclization of β‐(2‐hydroxyphenyl)‐nitroethanes and benzaldehydes, also in a one‐pot process.
On the Reactivity of Gulose and Guluronic Acid Building Blocks in the Context of Alginate Assembly
Authors: Zhang Qingju , van Rijssel Erwin R. , Overkleeft Herman S. , van der Marel Gijsbert A. , Codée Jeroen D. C. 
Published: April 2016

AbstractA novel set of L‐gulose and L‐guluronic acid building blocks, comprising both monosaccharide and disaccharide synthons, was assembled to investigate how structural changes in these synthons influence the outcome of glycosylation reactions in which they are involved. Our studies corroborate previous reports that identified the gulosyl C4‐OH group as a relatively poor nucleophile. We did not find a major influence of the neighboring C5 functionality on the reactivity of the alcohols, and the gulose acceptors did not provide more productive glycosylation reactions than their guluronic acid counterparts. The conformational behavior of the synthons was found to be of prime importance to the outcome of the reactions.
Site‐Selective Calcium‐Catalyzed/Organocatalyzed Condensation of Propargyl Alcohols Tethered to β‐Keto Esters
Authors: Morcillo Sara P. , Presset Marc , Floquet Sébastien , Coeffard Vincent , Greck Christine , Bour Christophe , Gandon Vincent 
Published: April 2016

AbstractThe intramolecular condensation of β‐keto esters to give propargyl alcohols is described. The substrates have two electrophilic sites and two nucleophilic sites. The site selectivity can be fully controlled. In the presence of a calcium‐based catalyst and under anhydrous conditions, O‐addition products are isolated. On the other hand, traces of water or iPrOH as additive encourage calcium‐catalyzed Meyer–Schuster rearrangements. The resulting enones may be further transformed into endo‐Michael addition products. The regioselectivity of the attack of the enolate can be changed by using 1‐[3,5‐bis(trifluoromethyl)phenyl]‐3‐[2‐(dimethylamino)cyclohexyl]thiourea (TUC) as organocatalyst, which promotes the formation of aldol‐condensation products of high synthetic interest. DFT calculations rationalize the preference for the aldol condensation when TUC is used instead of the endo‐Michael addition.
System Architectures in Wearable Electrochemical Sensors
Authors: Steinberg Matthew D. , Kassal Petar , Steinberg Ivana Murković 
Published: April 2016

AbstractThis review is an analysis of system architectures in wearable electrochemical sensors. It presents the academic research output from journal articles, conference proceedings and books from 2006 up to early 2016. The review is structured into three sections that investigate architectures for (i) electrochemical sensors as wearable accessories, (ii) electrochemical sensors integrated into clothing and textiles, and (iii) electrochemical sensors that are applied to the body. The results indicate that novel architectures and materials are in research for sampling, measurement and fabrication of wearable sensors but that novel energy sources and readout techniques are under‐utilised. A trend is evident in greater compatibility with mobile products such as Smartphones. The “user‐centric” approach to wearable electrochemical sensor research is producing highly‐integrated system architectures. A selection of exemplary wearables from the literature are presented.
Severity Prediction of Traffic Accident Using an Artificial Neural Network
Authors: Alkheder Sharaf , Taamneh Madhar , Taamneh Salah 
Published: April 2016

AbstractIn this paper, an artificial neural network (ANN) was used to predict the injury severity of traffic accidents based on 5973 traffic accident records occurred in Abu Dhabi over a 6‐year period (from 2008 to 2013). For each accident record, 48 different attributes had been collected at the time of the accident. After data preprocessing, the data were reduced to 16 attributes and four injury severity classes. In this study, WEKA (Waikato Environment for Knowledge Analysis) data‐mining software was used to build the ANN classifier. The traffic accident data were used to build two classifiers in two different ways. The whole data set were used for training and validating the first classifier (training set), while 90% of the data were used for training the second classifier and the remaining 10% were used for testing it (testing set). The experimental results revealed that the developed ANN classifiers can predict accident severity with reasonable accuracy. The overall model prediction performance for the training and testing data were 81.6% and 74.6%, respectively. To improve the prediction accuracy of the ANN classifier, traffic accident data were split into three clusters using a k‐means algorithm. The results after clustering revealed significant improvement in the prediction accuracy of the ANN classifier, especially for the training dataset. In this work, and in order to validate the performance of the ANN model, an ordered probit model was also used as a comparative benchmark. The dependent variable (i.e. degree of injury) was transformed from ordinal to numerical (1, 2, 3, 4) for (minor, moderate, sever, death). The R tool was used to perform an ordered probit. For each accident, the ordered probit model showed how likely this accident would result in each class (minor, moderate, severe, death). The accuracy of 59.5% obtained from the ordered probit model was clearly less than the ANN accuracy value of 74.6%. Copyright © 2016 John Wiley & Sons, Ltd.
The Establishment of Adult Reference Intervals on Fructosamine in Beijing
Authors: Chen Xun , Wu Jing , Li Ronghai , Wang Qingyong , Tang Yufeng , Shang Xiaohong 
Published: April 2016

BackgroundFructosamine (FRA) is widely used for diabetes monitor and control as a glycemic marker, especially in patients in whom the measurement of HbA1c may be biased or even unreliable. However, the FRA reference intervals based on Asian population features still keep seldom reported. The objective of this study was to establish the adult FRA reference intervals in Beijing, China.MethodsA total of 1,497 healthy subjects were separated into three groups by gender and age. Subsequently, FRA levels in the collected serum samples from the reference individuals were tested by automatic chemical analyzer. The obtained data were statistically analyzed with SPSS.ResultsThe serum FRA level in female group was slightly higher than that in male group without statistical significance. Meanwhile, further analysis indicated that the FRA level gradually increased along with the growth of the age. Compared with the age 20–45 group (248.83 ± 17.64 μmol/l) or the age 46–65 group (251.95 ± 19.63 μmol/l), the FRA level of the age >65 group (264.63± 23.05 μmol/l) was statistically significantly increased (P < 0.01). To better analyze the difference, the age 20–45 group and the age 46–65 group were combined into an age 20–65 group (249.88 ±18.39 μmol/l). In comparison to the age >65 group, the FRA level of age 20–65 group was significantly decreased (P <0.01).ConclusionA novel FRA reference interval of the local healthy population in Beijing was established. The data demonstrated that there was no gender difference in FRA level, however, which was significantly increased in elder persons.
Comparison of Three Different Commercial Kits for the Human Papilloma Virus Genotyping
Authors: Lim Yong Kwan , Choi Jee‐Hye , Park Serah , Kweon Oh Joo , Park Ae Ja 
Published: April 2016

BackgroundHigh‐risk type human papilloma virus (HPV) is the most important cause of cervical cancer. Recently, real‐time polymerase chain reaction and reverse blot hybridization assay‐based HPV DNA genotyping kits are developed. So, we compared the performances of different three HPV genotyping kits using different analytical principles and methods.MethodsTwo hundred positive and 100 negative cervical swab specimens were used. DNA was extracted and all samples were tested by the MolecuTech REBA HPV‐ID, Anyplex II HPV28 Detection, and HPVDNAChip. Direct sequencing was performed as a reference method for confirming high‐risk HPV genotypes 16, 18, 45, 52, and 58.ResultsAlthough high‐level agreement results were observed in negative samples, three kits showed decreased interassay agreement as screening setting in positive samples. Comparing the genotyping results, three assays showed acceptable sensitivity and specificity for the detection of HPV 16 and 18. Otherwise, various sensitivities showed in the detection of HPV 45, 52, and 58.ConclusionsThe three assays had dissimilar performance of HPV screening capacity and exhibited moderate level of concordance in HPV genotyping. These discrepant results were unavoidable due to difference in type‐specific analytical sensitivity and lack of standardization; therefore, we suggested that the efforts to standardization of HPV genotyping kits and adjusting analytical sensitivity would be important for the best clinical performance.
Tree‐ring‐based precipitation reconstruction in southern Kazakhstan, reveals drought variability since A.D. 1770
Authors: Zhang Ruibo , Shang Huaming , Yu Shulong , He Qing , Yuan Yujiang , Bolatov Kainar , Mambetov Bulkajyr T. 
Published: April 2016

ABSTRACTIn this article, we developed a tree‐ring‐width chronology of Schrenk spruce (Picea schrenkiana Fisch. et Mey) in southern Kazakhstan. Climate‐growth response result showed that the precipitation from the previous June to current May was the principal limited factor of radial growth. We also obtained a 246‐year reconstruction of June–May precipitation in southern Kazakhstan. The reconstruction explains 39.7% of the variance in precipitation records during the 1902–2013 calibration periods. In addition, the precipitation over the past 246 years in southern Kazakhstan has experienced six wetter periods and seven drier ones, and the extreme drought years were 1837, 1879, 1917 and 1945. From 1985 to 2004, precipitation has experienced longer and more rapid wetting, but the trend of precipitation has decreased in the past few years. The reconstructed series of precipitation is consistent with the historic precipitation/Palmer Drought Severity Index of the western Tianshan Mountains. Here, high precipitation variability occurred during 1770–1800 and 1900‐present, while 1800–1900 was relatively calm. Meanwhile, there was large power in the 2‐ to 7‐year short‐period and over the 34‐ to 35‐ and 40‐ to 43‐year long‐periods. We suggest the precipitation variability may be associated with large‐scale oscillations in the climate system. The reconstruction sheds new light on precipitation variability and the changes in a region where the climate history over the past several centuries is poorly understood.
The temporal fractality of precipitation in mainland Spain and the Balearic Islands and its relation to other precipitation variability indices
Authors: Meseguer‐Ruiz Oliver , Olcina Cantos Jorge , Sarricolea Pablo , Martín‐Vide Javier 
Published: April 2016

ABSTRACTRecent years have seen a rise in research into the behaviour of precipitation variability on account of the application of new statistical techniques with a longstanding tradition in other fields. Fractal is a word used to refer to regular objects or processes that cannot be defined by the classical Euclidian mathematics. The fractal dimension of the temporal distribution of precipitation (D) is an indicator of the property of self‐similarity in rainfall distribution at different time intervals. While its spatial meaning has previously been developed extensively and is well defined, the interpretation of the concept of fractality applied to the temporal distribution is abstract. The overarching goal of this article is to give climatic significance to this indicator. To this end, data logged at 10‐min intervals from 44 weather stations in mainland Spain and the Balearic Islands for the period from 1997 to 2010 has been employed. TheDvalues obtained ranged between 1.4499 for the observatory in Ibiza and 1.6039 for the observatory in Jaca. The fractal dimension presents a significant and good negative correlation (−0.55) with the concentration index (CI), and a significant and good positive correlation (0.67) with entropy. The correlation ofDwith other traditionally used indices, such as the coefficient of variation or the consecutive disparity index is very limited, as this indicator is more focused on the distribution of precipitation intervals than on the total accumulated rainfall over a given period. In an endeavour to develop multivariate models that explain the behaviour ofD, only two‐variable models can be obtained, which account for most of the variability and that involve the CI or entropy. Self‐similarity is therefore associated with the regular recurrence of precipitation intervals, which is more evident in those observatories with higherDvalues.
A randomized side‐by‐side study comparing alexandrite laser at different pulse durations for port wine stains
Authors: Carlsen Berit C. , Wenande Emily , Erlendsson Andres M. , Faurschou Annesofie , Dierickx Christine , Haedersdal Merete 
Published: April 2016

Background and ObjectivesPulsed dye laser (PDL) represents the gold‐standard treatment for port wine stains (PWS). However, approximately 20% of patients are poor responders and yield unsatisfactory end‐results. The Alexandrite (Alex) laser may be a therapeutic alternative for selected PWS subgroups, but optimal laser parameters are not known. The aim of this study was to assess clinical PWS clearance and safety of Alex laser at a range of pulse durations.Materials and MethodsSixteen individuals (14 previously PDL‐treated) with deep red (n = 4), purple macular (n = 5) and purple hypertrophic (n = 7) PWS were included. Four side‐by‐side test areas were marked within each lesion. Three test areas were randomized to Alex laser at pulse durations of 3, 5, or 10 ms (8 mm spot, DCD 60/40), while the fourth was untreated. The lowest effective fluence to create purpura within the entire test spot was titrated and applied to intervention areas. Standardized clinical photographs were taken prior to, immediately after laser exposure and at 6–8 weeks follow up. Clinical PWS clearance and laser‐related side effects were assessed using clinical photos.ResultsAlex laser at 3, 5, and 10 ms pulse durations demonstrated significant clearance compared to untreated controls (P < 0.001). Three milli second pulse duration exhibited improved clearance versus 5 ms (P = 0.016) and 10 ms (P = 0.004), while no difference between five and 10 ms was shown (P = 0.063). Though not significant, good responders (>50% clearance) were more likely to have purple hypertrophic PWS (5/7) compared to purple macular (2/5) and deep red lesions (1/4). Eight laser‐exposed test areas (17%) developed hypopigmented atrophic scarring. Side effects tended to be more frequently observed with 5 ms (n = 4) and 10 ms (n = 3) versus 3 ms pulse duration (n = 1). Correspondingly, 3 ms was associated with a superior (n = 6) or comparable (n = 10) overall cosmetic appearance for all individuals.ConclusionAlex laser at 3 ms pulse duration offers superior clinical clearance and safety compared to 5 and 10 ms, and seems best suited for purple hypertrophic PWS. Treatment should be restricted to experienced personnel due to a particularly narrow therapeutic window. Lasers Surg. Med. 49:97–103, 2017. © 2016 Wiley Periodicals, Inc.
On the variational problem for upper tails in sparse random graphs
Authors: Lubetzky Eyal , Zhao Yufei 
Published: April 2016

AbstractWhat is the probability that the number of triangles in , the Erdős‐Rényi random graph with edge density p, is at least twice its mean? Writing it as , already the order of the rate function r(n, p) was a longstanding open problem when p = o(1), finally settled in 2012 by Chatterjee and by DeMarco and Kahn, who independently showed that for ; the exact asymptotics of r(n, p) remained unknown. The following variational problem can be related to this large deviation question at : for δ > 0 fixed, what is the minimum asymptotic p‐relative entropy of a weighted graph on n vertices with triangle density at least (1 + δ)p3? A beautiful large deviation framework of Chatterjee and Varadhan (2011) reduces upper tails for triangles to a limiting version of this problem for fixed p. A very recent breakthrough of Chatterjee and Dembo extended its validity to for an explicit α > 0, and plausibly it holds in all of the above sparse regime.In this note we show that the solution to the variational problem is when vs. when (the transition between these regimes is expressed in the count of triangles minus an edge in the minimizer). From the results of Chatterjee and Dembo, this shows for instance that the probability that for has twice as many triangles as its expectation is where . Our results further extend to k‐cliques for any fixed k, as well as give the order of the upper tail rate function for an arbitrary fixed subgraph when . © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 50, 420–436, 2017