bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tracing atmospheric transport of soil microorganisms and higher plant waxes in the East Asian outflow to the North Pacific Rim by using hydroxy fatty acids: Year‐round observations at Gosan, Jeju Island
Authors: Tyagi Poonam , Kawamura Kimitaka , Kariya Tadashi , Bikkina Srinivas , Fu Pingqing , Lee Meehye 
Published: March 2017

AbstractAtmospheric transport of soil microorganisms and higher plant waxes in East Asia significantly influences the aerosol composition over the North Pacific. This study investigates the year‐round atmospheric abundances of hydroxy fatty acids (FAs), tracers of soil microorganisms (β‐isomers), and plant waxes (α‐ and ω‐isomers), in total suspended particles collected at Gosan, Jeju Island, during April 2001 to March 2002. These hydroxy FAs showed a pronounced seasonality, higher concentrations in winter/spring and lower concentrations in summer/autumn, which are consistent with other tracers of soil microbes (trehalose), resuspended dust (nss‐Ca2+), and stable carbon isotopic composition (δ13C) of total carbon. The molecular distributions of β‐hydroxy FAs (predominance of C12 and C16 in winter/spring and summer/autumn, respectively) are consistent with those from a remote island (Chichijima) in the North Pacific and Asian dust standards (CJ‐1 and CJ‐2). This observation together with back trajectories over Gosan reveal that desert sources in China during winter and arid regions of Mongolia and Russian Far East during spring are the major contributors of soil microbes over the North Pacific. Predominance of ω‐isomers (83%) over β‐hydroxy FAs (16%) revealed a major contribution of terrestrial lipids from higher plant waxes over soil microbes in the East Asian outflow.
Insights on the formation of longitudinal surface structures on ice sheets from analysis of their spacing, spatial distribution, and relationship to ice thickness and flow
Authors: Ely J. C. , Clark C. D. , Ng F. S. L. , Spagnolo M. 
Published: March 2017

AbstractLongitudinal surface structures (LSSs) are prevalent upon the ice streams, ice shelves, and outlet glaciers of ice sheets. These features inform our understanding of past and present ice sheet behavior. However, consensus regarding their genesis has not been reached. Here we analyze 42,311 LSS segments mapped across Antarctica together with geophysical data to determine their morphological and glaciological properties. Most LSSs are spaced 450 to 1500 m apart, a distance positively correlated with the width of the ice flow unit on which they occur. The start points (upstream end locations) of LSSs have diverse ice thicknesses and velocities. The majority of LSSs occur where ice flow is converging or broadly parallel, and they are prominent at ice confluences. Some occur at slow‐flowing ice stream onsets. Occasionally, LSSs relate to sudden variations in basal shear stress due to basal perturbations. From these observations, we argue that LSSs are the consequence of increased strain which occurs during the lateral compression and longitudinal extension of ice: (i) converging/flowing into a channel (this scenario characterizes most LSSs), (ii) at the onset of ice streaming, (iii) at flow unit confluence, and (iv) as ice flows over and around a basal perturbation.
Pore network extraction from pore space images of various porous media systems
Authors: Yi Zhixing , Lin Mian , Jiang Wenbin , Zhang Zhaobin , Li Haishan , Gao Jian 
Published: March 2017

AbstractPore network extraction, which is defined as the transformation from irregular pore space to a simplified network in the form of pores connected by throats, is significant to microstructure analysis and network modeling. A physically realistic pore network is not only a representation of the pore space in the sense of topology and morphology, but also a good tool for predicting transport properties accurately. We present a method to extract pore network by employing the centrally located medial axis to guide the construction of maximal‐balls‐like skeleton where the pores and throats are defined and parameterized. To validate our method, various rock samples including sand pack, sandstones, and carbonates were used to extract pore networks. The pore structures were compared quantitatively with the structures extracted by medial axis method or maximal ball method. The predicted absolute permeability and formation factor were verified against the theoretical solutions obtained by lattice Boltzmann method and finite volume method, respectively. The two‐phase flow was simulated through the networks extracted from homogeneous sandstones, and the generated relative permeability curves were compared with the data obtained from experimental method and other numerical models. The results show that the accuracy of our network is higher than that of other networks for predicting transport properties, so the presented method is more reliable for extracting physically realistic pore network.
S
hannon Entropy Measures
Authors: Asadi Majid , Ebrahimi Nader , Soofi Ehsan S. 
Published: March 2017

Abstract
This article gives an overview of the basic properties of the Shannon entropy and the associated measures, namely the Kullback–Leibler information divergence between two distributions, the mutual information between two random variables, and the Jensen–Shannon divergence of the mixture distribution. We give outlines of the classic and some recent maximum entropy approaches for developing probability models based on moment information and the dynamic maximum entropy subject to the mean residual and hazard inequality constraints. We also introduce the notion of expected residual life entropy.
Fractional order model reference adaptive control for anesthesia
Authors: Navarro‐Guerrero Gerardo , Tang Yu 
Published: March 2017

SummaryThe design of a fractional order model reference adaptive control for anesthesia based on a fractional order model is proposed in the paper. This model gets around many difficulties in controller designs based on the pharmacokinetic/pharmacodynamic model, commonly used for anesthesia for theses purposes, and allows to design a simple adaptive controller with stability and positivity of the system ensured via Lyapunov analysis. Also, the convergence of the tracking error to zero is established by applying an extension of the Barbalat lemma, proven in the paper. Simulations illustrate the effectiveness and robustness of the proposed control.
Early Pleistocene hominin deciduous teeth from the Homo antecessor Gran Dolina‐TD6 bearing level (Sierra de Atapuerca, Spain)
Authors: Bermúdez de Castro José María , Martinón‐Torres María , Martín‐Francés Laura , Martínez de Pinillos Marina , Modesto‐Mata Mario , García‐Campos Cecilia , Wu Xiujie , Xing Song , Liu Wu 
Published: March 2017

AbstractObjectivesDuring the last 13 years, the late Early Pleistocene Gran Dolina‐TD6‐2 level (Sierra de Atapuerca, northern Spain) has yielded an additional sample of 26 dental specimens attributed to Homo antecessor. In this report, we present a descriptive and comparative study of the six deciduous teeth.MethodsWe provide external and internal morphological descriptions following classical terminology, as well as the mesiodistal and buccolingual measurements of the teeth. The internal morphology was described by means of micro‐CT technique.ResultsThe TD6 deciduous teeth preserve primitive features regarding the Homo clade, such as the presence of styles in lower and upper canines and developed anterior and posterior foveae in the dm2. However, other features related to the complexity of the crown morphology (e.g., cingulum) are not present in this sample. Furthermore, the great reduction of the talonid of the dm1s is also noteworthy. Despite the limited comparative evidence, the presence of a remarkably well‐developed tuberculum molare in the dm1 and dm1s from TD6 can be also considered a derived feature in the genus Homo. The TD6 hominins exhibit dental dimensions similar to those of other Pleistocene hominins. The dm1s are buccolingually elongated and the buccolingual diameter of ATD6‐93 is the largest recorded so far in the Homo fossil record.ConclusionsThis study expands the list of plesiomorphic features of H. antecessor, and provides some information on the evolutionary status of this species. However, the identification of some advanced traits evinces a step towards the derived morphology of European Pleistocene teeth. The study of the deciduous dentition confirms the mosaic pattern of H. antecessor morphology revealed in previous studies of this hominin sample.
Synthesis and Identification of Key Biosynthetic Intermediates for the Formation of the Tricyclic Skeleton of Saxitoxin
Authors: Tsuchiya Shigeki , Cho Yuko , Yoshioka Renpei , Konoki Keiichi , Nagasawa Kazuo , Oshima Yasukatsu , Yotsu‐Yamashita Mari 
Published: March 2017

AbstractSaxitoxin (STX) and its analogues are potent voltage‐gated sodium channel blockers biosynthesized by freshwater cyanobacteria and marine dinoflagellates. We previously identified genetically predicted biosynthetic intermediates of STX at early stages, Int‐A′ and Int‐C′2, in these microorganisms. However, the mechanism to form the tricyclic skeleton of STX was unknown. To solve this problem, we screened for unidentified intermediates by analyzing the results from previous incorporation experiments with 15N‐labeled Int‐C′2. The presence of monohydroxy‐Int‐C′2 and possibly Int‐E′ was suggested, and 11‐hydroxy‐Int‐C′2 and Int‐E′ were identified from synthesized standards and LC‐MS. Furthermore, we observed that the hydroxy group at C11 of 11‐hydroxy‐Int‐C′2 was slowly replaced by CD3O in CD3OD. Based on this characteristic reactivity, we propose a possible mechanism to form the tricyclic skeleton of STX via a bicyclic intermediate from 11‐hydroxy‐Int‐C′2.
Gold‐Catalyzed Oxidative [2+2+1] Annulations of Aryldiazo Nitriles with Imines To Yield Polyarylated Imidazolium Salts
Authors: Pawar Samir Kundlik , Yang Ming‐Chung , Su Ming‐Der , Liu Rai‐Shung 
Published: March 2017

AbstractGold‐catalyzed oxidative [2+2+1] annulations between two imines and one α‐cyano arylgold carbene afforded polyarylated imidazolium salts and molecular hydrogen efficiently. Control experiments suggest that the gold catalyst alone facilitates the main annulation, whereas Ag+ avoids the formation of inactive LAuCN. DFT calculations suggest that the success of this annulation relies on a 6 π‐electrocyclization of cyano‐free intermediates with cis‐configured imines as initial reagents.
Synthesis of Responsive Two‐Dimensional Polymers via Self‐Assembled DNA Networks
Authors: Yu Hao , Alexander Duncan T. L. , Aschauer Ulrich , Häner Robert 
Published: March 2017

AbstractDespite a growing interest in two‐dimensional polymers, their rational synthesis remains a challenge. The solution‐phase synthesis of a two‐dimensional polymer is reported. A DNA‐based monomer self‐assembles into a supramolecular network, which is further converted into the covalently linked two‐dimensional polymer by anthracene dimerization. The polymers appear as uniform monolayers, as shown by AFM and TEM imaging. Furthermore, they exhibit a pronounced solvent responsivity. The results demonstrate the value of DNA‐controlled self‐assembly for the formation of two‐dimensional polymers in solution.
Organocatalytic Redox Deracemization of Cyclic Benzylic Ethers Enabled by An Acetal Pool Strategy
Authors: Wan Miao , Sun Shutao , Li Yangshan , Liu Lei 
Published: March 2017

AbstractThe first redox deracemization of a series of cyclic benzylic ethers, including 6H‐benzo[c]chromenes, isochromans, and 1H‐isochromenes, is described. An “acetal pool” strategy was adopted to harmonize the complete oxidation of secondary ethers with imidodiphosphoric acid catalyzed asymmetric transfer hydrogenation. The synthetic utility of the process was demonstrated by the effective deracemization of biologically active molecules of interest that are difficult to prepare by other methods.
Early Childhood Development of Boys with Genital Anomalies
Authors: Schneuer Francisco J. , Bentley Jason P. , Holland Andrew J.A. , Lain Samantha J. , Jamieson Sarra E. , Badawi Nadia , Nassar Natasha 
Published: March 2017

BackgroundMale genital anomalies often require surgery in early life to address functional and cosmetic consequences. However, there has been little assessment of developmental outcomes of affected boys.MethodsWe conducted a population‐based cohort study of all boys born in New South Wales, Australia, and undergoing school‐entry developmental assessment in 2009 or 2012. Health and developmental information was obtained by means of record‐linkage of birth, hospital and Australian Early Development Census data. Boys with hypospadias or undescended testis (UDT) were compared with those without. Developmental outcomes were assessed in five domains (physical health, emotional maturity, communication, cognitive skills, and social competence), and boys were categorized as vulnerable (<10th centile of national scores), developmentally high risk (DHR; vulnerable in 2+ domains), and special needs.ResultsWe included 420 boys with hypospadias, 873 with UDT, and 77,176 unaffected boys. There was no difference in the proportion of boys developmentally vulnerable in any domain or DHR between boys with hypospadias (DHR: n = 49; 13.1%; p = 0.9), UDT (n = 116; 15.2%; p = 0.06), and unaffected boys (n = 9278; 12.9%). Compared with unaffected boys (n = 4826; 6.3%), boys with hypospadias (n = 43; 10.2%; p < 0.001) or UDT (n = 105; 12.0%; p < 0.001) were more likely to have special needs. Stratified analyses revealed that only boys with UDT and coexisting anomalies had increased risk of being DHR (odds ratio: 2.65; 95% confidence interval, 1.61–4.36) or special needs (odds ratio: 2.91; 95% confidence interval, 2.00–4.22).ConclusionWe found no increased risk of poor development among boys with hypospadias or UDT. However, boys with UDT and coexisting anomalies were more likely to have poorer development and special needs. Birth Defects Research 109:535–542, 2017. © 2017 Wiley Periodicals, Inc.
Sensitive and specific LC‐ESI‐MS/MS method for determination of ZYDPLA1, a novel long‐acting dipeptidyl peptidase 4 inhibitor in rat plasma: An application for toxicokinetic study in rats
Authors: Giri Poonam , Patel Nirmal , Patel Bharat , Patel Harilal , Bahekar Rajesh , Srinivas Nuggehally R. , Patel Pankaj R. , Desai Ranjit 
Published: March 2017

AbstractA rapid and highly specific assay was developed and validated for the estimation of ZYDPLA1 in rat plasma using liquid chromatography coupled to tandem mass spectrometry with positive electrospray ionization. Method validation comprised of parameters such as specificity, matrix effect, precision, accuracy, recovery, stability, etc. The assay procedure involved a simple protein precipitation of ZYDPLA1 and alprazolam (internal standard) from rat plasma using acetonitrile. Chromatographic separation was achieved with a gradient mobile phase comprising: (A) 0.2% ammonia in purified water; (B) 0.1% formic acid in isopropyl alcohol/methanol (1: 1 v/v); and (C) acetonitrile at a flow rate of 1 mL/min on an ACE‐5, C18 (4.6 × 50 mm) column with a run time of 5.5 min. The quantitation of ZYDPLA1 was achieved by the summation of four multiple reaction mode transitions (m/z 399.7 → 383.0, 399.7 → 276.10, 399.7 → 153.20 and 399.7 → 127.20), while that of the internal standard was by a single multiple reaction mode transition (m/z 309.10 → 281.00). The lower limit of quantitation achieved was 0.01 μg/mL and the method showed linearity from 0.01 to 25 μg/mL. The intra‐ and inter‐day precision (%CV) of the quality control samples was within 8.81% and accuracy was ±10% of nominal values. This novel method was applied for evaluation of toxicokinetics of ZYDLA1 in rats.
Contents variation analysis of free amino acids, nucleosides and nucleobases in semen sojae praeparatum fermentation using UFLC‐QTRAP MS
Authors: Chai Chuan , Cui Xiaobing , Shan Chenxiao , Yu Sheng , Wen Hongmei 
Published: March 2017

AbstractUFLC–QTRAP MS was used to develop a sensitive and rapid method of evaluating content variation during Semen sojae praeparatum (SSP) fermentation. It did this through the simultaneous quantification of 22 free amino acids and 16 nucleosides and nucleobases in the raw materials and processed products of SSP. The method was shown to be reproducible and accurate. The limits of detection and quantity values were 0.09–168.75 and 0.31–562.50 ng/mL for the 38 analytes, respectively. The data were examined through principal components analysis to compare the content variations. The quantitative results showed that the ingredients were properly determined in most of the samples and were converted regularly throughout the SSP fermentation process. These results correspond to the morphologic changes and principal components analysis results.
The importance of functional tests to assess the effect of a new CFTR variant when genotype–phenotype correlation is not possible
Authors: Hinzpeter Alexandre , Reboul Marie‐Pierre , Callebaut Isabelle , Zordan Cécile , Costes Bruno , Guichoux Julie , Iron Albert , Lacombe Didier , Martin Natacha , Arveiler Benoit , Fanen Pascale , Fergelot Patricia , Girodon Emmanuelle 
Published: March 2017

Key Clinical MessageIn vitro functional tests aimed to investigate CFTR dysfunction appear critical to help elucidate the functional impact of new variants of uncertain clinical significance and solve inconclusive cases, especially in early deceased newborns.
A left atrial appendage thrombus that developed during prophylactic low‐dose dabigatran treatment resolved after switching to apixaban
Authors: Koyama Taku , Otsuka Yoritaka , Kawahara Masaaki , Imoto Yuki , Nakamura Keita , Kodama Sunao , Noguchi Hiroo 
Published: March 2017

Key Clinical MessageWe describe a case of atrial fibrillation in which an intracardiac thrombus that could not be prevented with “low‐dose” dabigatran treatment was resolved by switching to apixaban treatment. Thrombolysis using direct oral anticoagulants (DOACs) could be a therapeutic option for patients with intracardiac thrombi, although the efficacies of different DOACs seem to differ and need further examination.
Limited Diffusion and Cell Dimensions in a Micrometer Layer of Solution: An Electrochemical Impedance Spectroscopy Study
Authors: Botasini Santiago , Méndez Eduardo 
Published: March 2017

AbstractThe electrochemical impedance behavior observed for a newly proposed electrochemical system [Botasini et al., Analyst, 2016, 141, 5996–6001], in which the complete electrodic system is screen‐printed on the same plane and homogeneously covered by a thin layer of solution, was studied in a wide frequency domain (10 mHz to 100 kHz) involving 127 logarithmically spaced frequencies. Two distinctive frequency domain behaviors were considered, with the addition of a series‐connected capacitor, representing the physical limit of the electrochemical cell. Two diffusion regimes for the electroactive species were detected: i) semi‐infinite linear diffusion close to the electrode surface and limited by a reflecting boundary, followed by ii) distorted diffusion corresponding to the bulk solution enclosed within the thin‐layer cell. From the electric circuit parameters, the diffusion length of the semi‐infinite linear diffusion process, the heterogeneous rate constant for the charge transfer, and the width of the thin‐layer experimental cell can be calculated. For the first time, electrochemical impedance spectroscopy analysis provides a thorough means to study limited diffusion in micrometer‐sized layer that includes the physical limit of the electrochemical cell. All these data are fundamental in the design of novel micro‐ and nano‐fluidic systems.
Cytosine–Cytosine Base‐Pair Mismatch and Chirality in Nucleotide Supramolecular Coordination Complexes
Authors: Qiu Qi‐ming , Zhou Pei , Gu Leilei , Hao Liang , Liu Minghua , Li Hui 
Published: March 2017

AbstractThe base‐pair sequences are the foundation for the biological processes of DNA or RNA, and base‐pair mismatch is very important to reveal genetic diseases and DNA rearrangements. However, the lack of well‐defined structural information about base‐pair mismatch is obstructing the investigation of this issue. The challenge is to crystallize the materials containing the base‐pair mismatch. Engineering the small‐molecule mimics or model is an effective strategy to solve this issue. Here, six cytidine‐5′‐monophosphate (CMP) and 2′‐deoxycytidine‐5′‐monophosphate (dCMP) coordination polymers were reported containing cytosine–cytosine base‐pair mismatch (i‐motif), and their single‐crystal structures and chiralities were studied. The precise control over the formation of the i‐motif was demonstrated, in which the regulating of supramolecular interactions was achieved based on molecular design. In addition, the chiralities of these coordination polymers were investigated according to their crystal structures and solution‐ and solid‐state circular dichroism spectroscopy.
Rafoxanide and Closantel Inhibit SPAK and OSR1 Kinases by Binding to a Highly Conserved Allosteric Site on Their C‐terminal Domains
Authors: AlAmri Mubarak A. , Kadri Hachemi , Alderwick Luke J. , Simpkins Nigel S. , Mehellou Youcef 
Published: March 2017

AbstractSPAK and OSR1 are two protein kinases that have emerged as attractive targets in the discovery of novel antihypertensive agents due to their role in regulating electrolyte balance in vivo. Herein we report the identification of an allosteric pocket on the highly conserved C‐terminal domains of these two kinases, which influences their activity. We also show that some known WNK signaling inhibitors bind to this allosteric site. Using in silico screening, we identified the antiparasitic agent rafoxanide as a novel allosteric inhibitor of SPAK and OSR1. Collectively, this work will facilitate the rational design of novel SPAK and OSR1 kinase inhibitors that could be useful antihypertensive agents.
A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime
Authors: Olsen Stine T. , Brøndsted Nielsen Mogens , Hansen Thorsten , Ratner Mark A. , Mikkelsen Kurt V. 
Published: March 2017

AbstractMolecular photoswitches incorporated in molecular junctions yield the possibility of light‐controlled switching of conductance due to the electronic difference of the photoisomers. Another isomerization mechanism, dark photoswitching, promoted by a voltage stimulus rather than by light, can be operative in the Coulomb blockade regime for a specific charge state of the molecule. Here we elucidate theoretically the mechanistic and thermodynamic restrictions for this dark photoswitching for donor–acceptor substituted 4n and 4n+2 π‐electron open‐chain oligoenes (1,3‐butadiene and 1,3,5‐hexatriene) by considering the molecular energies and orbitals of the molecules placed in a junction. For an electrocyclic ring closure reaction to occur for these compounds, we put forward two requirements: a) the closed stereoisomer (cis or trans form) must be of lower energy than the open form, and b) the reaction pathway must be in accordance to the orbital symmetry rules expressed by the Woodward–Hoffmann rules (when the electrodes do not significantly alter the molecular orbital appearances). We find these two requirements to be valid for the dianion of (1E,3Z,5E)‐hexa‐1,3,5‐triene‐1,6‐diamine, and the Coulomb blockade diamonds were therefore modeled for this compound to elucidate how a dark photoswitching event would manifest itself in the stability plot. From this modeling of conductance as a function of gate and bias potentials, we predict a collapse in Coulomb diamond size, that is, a decrease in the height of the island of zero conductance.